File: mon_lib_list.cif

package info (click to toggle)
refmac-dictionary 5.41-3
links: PTS, VCS
area: main
in suites: forky, sid, trixie
size: 217,852 kB
file content (16798 lines) | stat: -rw-r--r-- 1,083,822 bytes
parent folder | download | duplicates (3)
global_
_lib_name      mon_lib
_lib_version   5.41
_lib_update    01/07/13
#---------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
    _chem_comp.id
    _chem_comp.three_letter_code
    _chem_comp.name
    _chem_comp.group
    _chem_comp.number_atoms_all
    _chem_comp.number_atoms_nh
    _chem_comp.desc_level
000      000 'methyl hydrogen carbonate           ' non-polymer         9   5 .
001      001 '"1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY' non-polymer        87  45 .
002      002 'N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-' non-polymer        66  32 .
003      003 '5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHT' non-polymer        58  33 .
004      004 '(2S)-amino(phenyl)ethanoic acid     ' peptide            19  11 .
005      005 '(2S,3S)-3-amino-2-hydroxy-4-phenylbu' non-polymer        26  14 .
006      006 '(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphe' non-polymer        86  45 .
007      007 '1-METHYLAMINE-1-BENZYL-CYCLOPENTANE ' non-polymer        30  13 .
008      008 '"(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHEN' non-polymer        48  26 .
009      009 '(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzy' non-polymer        88  45 .
00A      00A '5'-O-[(S)-{[(4-chlorophenyl)carbonyl' non-polymer        48  32 .
00B      00B '(4R)-5,5-dimethyl-1,3-thiazolidine-4' non-polymer        20  10 .
00C      00C '3-sulfo-D-alanine                   ' non-polymer        16  10 .
00G      00G '5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indo' non-polymer        31  17 .
012      012 '(4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dime' non-polymer        79  40 .
017      017 '"(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FU' non-polymer        75  38 .
018      018 '2-nitro-N-(thiophen-3-ylmethyl)-4-(t' non-polymer        29  20 .
01A      01A '4-Chlorophenacyl-coenzyme A         ' non-polymer        95  58 .
01G      01G '.                                   ' non-polymer        57  38 .
01I      01I '.                                   ' non-polymer        28  22 .
01K      01K '.                                   ' non-polymer       113  64 .
01W      01W '(2S)-2-ammonio-4-[(2,4-dinitrophenyl' peptide            32  20 .
020      020 'N-(furan-2-ylmethyl)-2-nitro-4-(trif' non-polymer        29  20 .
023      023 'N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY' non-polymer        61  28 .
024      024 '"4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CY' non-polymer        45  27 .
028      028 '(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSP' non-polymer        34  16 .
031      031 '"(3aS,5R,6aR)-hexahydro-2H-cyclopent' non-polymer        81  42 .
032      032 'N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo' non-polymer        51  33 .
033      033 '"N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)' non-polymer        58  35 .
039      039 '2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLO' non-polymer        46  31 .
03R      03R '"2-({6-{3-[AMINO(IMINO)METHYL]PHENOX' non-polymer        64  39 .
041      041 '2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL' non-polymer        30  20 .
042      042 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        51  26 .
047      047 '1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-' non-polymer        53  25 .
055      055 '"(2S)-{[(3-{[(2-chloro-6-methylpheny' non-polymer        56  35 .
057      057 'N-(2-hydroxy-1,1-dimethylethyl)-1-me' non-polymer        49  27 .
059      059 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(' non-polymer        62  32 .
061      061 '"2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZO' non-polymer        58  34 .
062      062 '"3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL' non-polymer        60  35 .
064      064 '"3-[(E)-2-(2-chloro-4-{[3-(2,6-dichl' non-polymer        57  36 .
065      065 '(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FUR' non-polymer        76  40 .
066      066 '6-{[3-(dimethylcarbamoyl)phenyl]sulf' non-polymer        63  37 .
068      068 '.                                   ' non-polymer        42  23 .
069      069 'N,3-DIHYDROXYBENZAMIDE              ' non-polymer        18  11 .
06C      06C '.                                   ' non-polymer         5   2 .
071      071 '8-{[2-methoxy-5-(4-methylpiperazin-1' non-polymer        61  33 .
072      072 '(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)B' non-polymer        89  44 .
073      073 '"(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZO' non-polymer        71  43 .
074      074 '[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIO' non-polymer        57  27 .
075      075 '.                                   ' non-polymer       101  56 .
077      077 '(3S)-5-biphenyl-4-yl-3-hydroxypentan' non-polymer        37  20 .
084      084 '4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMI' non-polymer        66  37 .
088      088 '"3-[(5-{[3-(2,6-dichlorophenyl)-5-(1' non-polymer        60  37 .
090      090 'N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[' non-polymer        42  26 .
093      093 'N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSUL' non-polymer        40  24 .
094      094 '1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLU' non-polymer        52  34 .
096      096 '(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-' non-polymer        61  31 .
097      097 '(2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(m' non-polymer        52  23 .
098      098 '(3R)-N~2~-(cyclopropylmethyl)-N~1~-h' non-polymer        61  32 .
099      099 '(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl' non-polymer        49  27 .
0A0      0A0 '2-methyl-L-aspartic acid            ' peptide            17  10 .
0A1      0A1 'O-methyl-L-tyrosine                 ' peptide            26  14 .
0A2      0A2 '[(1R)-1,5-diaminopentyl][bis(ethanol' non-polymer        39  15 .
0A3      0A3 '"(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-t' non-polymer        42  27 .
0A4      0A4 '"(2R)-2-{(R)-carboxy[(thiophen-2-yla' non-polymer        35  23 .
0A5      0A5 '4-bromobutanoic acid                ' non-polymer        13   7 .
0A6      0A6 '(3R)-4-ethoxy-3-hydroxy-4-oxobutanoi' non-polymer        20  11 .
0A7      0A7 '2-(carboxymethyl)benzoic acid       ' non-polymer        19  13 .
0A8      0A8 'S-[(2-chloroethyl)carbamoyl]-L-cyste' peptide            23  13 .
0A9      0A9 'methyl L-phenylalaninate            ' non-polymer        26  13 .
0AB      0AB '(3S,4S)-3-amino-4-methyl-3,4-dihydro' non-polymer        18   9 .
0AD      0AD '.                                   ' DNA                44  26 .
0AF      0AF '7-hydroxy-L-tryptophan              ' peptide            27  16 .
0AG      0AG 'N-(ethoxycarbonyl)-L-leucine        ' non-polymer        30  14 .
0AH      0AH 'O-(bromoacetyl)-L-serine            ' peptide            18  11 .
0AI      0AI 'methyl 2-(acetylamino)-2-deoxy-alpha' non-polymer        31  17 .
0AJ      0AJ '(1R)-1-(ethylsulfanyl)-1-(methylsulf' non-polymer        19   7 .
0AK      0AK '(2S)-2-amino-4-(2-chloroethoxy)-4-ox' peptide            21  12 .
0AO      0AO '(2S)-2-amino-3-naphthalen-1-ylpropan' non-polymer        28  15 .
0AP      0AP '.                                   ' DNA                35  24 .
0AS      0AS 'asiatic acid                        ' non-polymer        82  35 .
0AY      0AY 'diethyl [(1R)-1,5-diaminopentyl]boro' non-polymer        37  14 .
0AZ      0AZ '(4R)-4-hydroxy-L-proline            ' P-peptide          17   9 .
0BD      0BD '"3-methyl-1-(2-methylpropyl)butyl 4-' non-polymer        72  32 .
0BI      0BI '(4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-m' non-polymer        87  42 .
0BN      0BN '4-carbamimidoyl-L-phenylalanine     ' peptide            27  15 .
0C       0C  'L-CYTIDINE-5'-MONOPHOSPHATE         ' non-polymer        33  21 .
0CE      0CE '2-methyl-11-(1-methylethyl)-8-[(2S)-' non-polymer        62  34 .
0CL      0CL '1,3-dichloropropane                 ' non-polymer        11   5 .
0CO      0CO '(1S,3R,5Z,7E,14beta,17alpha,23R)-23-' non-polymer        76  32 .
0CP      0CP '5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-' non-polymer        47  23 .
0CR      0CR '"MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-' non-polymer       175 103 .
0CS      0CS '3-[(S)-HYDROPEROXYSULFINYL]-L-ALANIN' peptide            16  10 .
0D5      0D5 '.                                   ' non-polymer       144  71 .
0DC      0DC '.                                   ' non-polymer        32  20 .
0DG      0DG '.                                   ' non-polymer        35  23 .
0DT      0DT '.                                   ' non-polymer        34  21 .
0E2      0E2 'N-acetyl-L-valyl-O-benzyl-L-threonyl' non-polymer        95  44 .
0E3      0E3 'N-acetyl-L-valyl-O-benzyl-L-threonyl' non-polymer        93  44 .
0E4      0E4 'N-acetyl-L-tyrosyl-L-valyl-L-alanyl-' non-polymer        66  35 .
0EZ      0EZ '"tert-butyl [(1S,2S)-1-benzyl-2-hydr' non-polymer        91  43 .
0FA      0FA 'N~2~-phosphono-L-leucinamide        ' non-polymer        28  13 .
0G6      0G6 '"D-phenylalanyl-N-[(2S,3S)-6-{[amino' non-polymer        65  31 .
0G       0G  'L-GUANOSINE-5'-MONOPHOSPHATE        ' non-polymer        36  24 .
0HG      0HG 'N-[(4S)-4-ammonio-4-carboxybutanoyl]' non-polymer        49  28 .
0IN      0IN '7-(pyridin-3-ylmethyl)quinolin-8-ol ' non-polymer        30  18 .
0JZ      0JZ '(4R,5R,11R,12R,18R,19S)-4,11,18-tris' non-polymer        72  36 .
0LI      0LI '"3-(imidazo[1,2-b]pyridazin-3-ylethy' non-polymer        66  39 .
0MA      0MA 'maslinic acid                       ' non-polymer        79  34 .
0MO      0MO '(4R)-4-(3-butoxy-4-methoxybenzyl)imi' non-polymer        42  20 .
0NC      0NC 'N-methyl-L-alaninamide              ' non-polymer        17   7 .
0PA      0PA 'cyclopentylacetic acid              ' non-polymer        20   9 .
0PJ      0PJ 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        65  32 .
0PN      0PN 'N-[(benzyloxy)carbonyl]-L-valyl-L-al' non-polymer        79  40 .
0PQ      0PQ 'N-{(2R)-3-[(S)-[(1R)-1-amino-2-pheny' non-polymer        65  35 .
0PY      0PY 'pyridine                            ' non-polymer        11   6 .
0U       0U  'L-URIDINE-5'-MONOPHOSPHATE          ' non-polymer        32  21 .
0UN      0UN 'N-{3-[(5-chloro-2-{[2-methoxy-4-(4-m' non-polymer        62  35 .
0YG      0YG 'N-[(2Z)-2-amino-3-(4-hydroxyphenyl)p' non-polymer        28  17 .
0Z6      0Z6 '"D-phenylalanyl-N-[(2S,3S)-6-{[amino' non-polymer        71  35 .
100      100 '1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(' non-polymer        28  20 .
101      101 '.                                   ' non-polymer        34  22 .
102      102 'GAMMA-DEOXY-GAMMA-SULFO-GUANOSINE-5'' non-polymer        46  32 .
103      103 '.                                   ' non-polymer        33  21 .
104      104 'N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIA' non-polymer        28  10 .
105      105 'N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CA' non-polymer        32  20 .
106      106 '4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-B' non-polymer        32  23 .
107      107 '4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-' non-polymer        46  31 .
108      108 '2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLA' non-polymer        31  17 .
109      109 '2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLA' non-polymer        31  17 .
10A      10A 'DIDECYL-DIMETHYL-AMMONIUM           ' non-polymer        71  23 .
10C      10C '"4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHON' non-polymer        34  22 .
10F      10F '"N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino' non-polymer        61  34 .
10M      10M 'decyl 4-O-alpha-D-glucopyranosyl-1-t' non-polymer        75  33 .
10U      10U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        56  27 .
110      110 '"3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-' non-polymer        78  40 .
111      111 '(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N' non-polymer        53  28 .
112      112 'THIOPHOSPHORIC ACID O-((ADENOSYL-PHO' non-polymer        52  35 .
113      113 '"7,8-DIHYDROXY-1-METHOXY-3-METHYL-10' non-polymer        36  23 .
114      114 'COMPACTIN                           ' non-polymer        64  29 .
115      115 '7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1' non-polymer        57  30 .
116      116 '"7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMET' non-polymer        68  33 .
117      117 '"7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-' non-polymer        75  41 .
118      118 'TETRAPHENYLANTIMONIUM ION           ' non-polymer        45  25 .
11B      11B '"(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHY' non-polymer        65  35 .
11F      11F '5-[(3S)-3-(2-methoxybiphenyl-4-yl)bu' non-polymer        49  27 .
11M      11M '"1-(1'-{[3-(methylsulfanyl)-2-benzot' non-polymer        53  29 .
11N      11N '1-[1'-(3-phenylacryloyl)spiro[1-benz' non-polymer        50  26 .
11O      11O '(TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-' non-polymer        53  22 .
11P      11P '"[(7R)-6,7-dihydro-5H-cyclopenta[c]p' non-polymer        32  19 .
11R      11R 'RUTHENIUM WIRE, 11 CARBON LINKER    ' non-polymer       135  60 .
11S      11S '5-chloro-1H-indole                  ' non-polymer        16  10 .
11U      11U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        59  28 .
11X      11X 'N-(pyridin-3-ylmethyl)aniline       ' non-polymer        26  14 .
120      120 '2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1' non-polymer        31  19 .
121      121 '2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOI' non-polymer        31  19 .
122      122 '2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZO' non-polymer        32  19 .
123      123 '2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BE' non-polymer        36  21 .
124      124 '2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CAR' non-polymer        33  19 .
125      125 '2'-O-FLUOROETHYL-5-METHYL-URIDINE-5'' RNA                41  25 .
126      126 '2'-O-METHYL-[TRI(OXYETHYL)]-5-METHYL' RNA                59  32 .
127      127 '2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE' RNA                44  26 .
128      128 'SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O' non-polymer        59  46 .
129      129 '[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOS' non-polymer        18  10 .
12A      12A '2-METHYLTHIO-N6-(AMINOCARBONYL-L-THR' RNA                55  35 .
12B      12B 'BENZO[CD]INDOL-2(1H)-ONE            ' non-polymer        20  13 .
12C      12C '4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLA' non-polymer        52  30 .
12D      12D '.                                   ' non-polymer        55  42 .
12F      12F '.                                   ' non-polymer       118  72 .
12H      12H '12-HYDROXYDODECANOIC ACID           ' non-polymer        38  15 .
12M      12M '(2-ETHYLPHENYL)METHANOL             ' non-polymer        22  10 .
12P      12P 'DODECAETHYLENE GLYCOL               ' non-polymer        87  37 .
12Q      12Q '1-METHYLQUINOLIN-2(1H)-ONE          ' non-polymer        21  12 .
12U      12U 'N-cycloheptylglycyl-N-(4-carbamimido' non-polymer        62  29 .
130      130 '2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDA' non-polymer        41  25 .
132      132 '6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)' non-polymer        43  26 .
133      133 '6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PH' non-polymer        44  25 .
134      134 '6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CY' non-polymer        52  28 .
135      135 'N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY' non-polymer        32  19 .
136      136 'N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2' non-polymer        35  22 .
137      137 '1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-' non-polymer        38  23 .
138      138 '.                                   ' non-polymer        85  52 .
139      139 '.                                   ' non-polymer        65  42 .
13A      13A '7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTET' non-polymer        33  21 .
13D      13D '1,3-DIAMINOPROPANE                  ' non-polymer        15   5 .
13P      13P '1,3-DIHYDROXYACETONEPHOSPHATE       ' non-polymer        15  10 .
13R      13R '13(R)-HYDROPEROXY-9(Z),11(E)-OCTADEC' non-polymer        53  22 .
13S      13S '13(S)-HYDROPEROXY-9(Z),11(E)-OCTADEC' non-polymer        53  22 .
13T      13T '13-DEOXYTEDANOLIDE                  ' non-polymer        92  42 .
13U      13U 'N-cyclooctylglycyl-N-(4-carbamimidoy' non-polymer        65  30 .
13Z      13Z '2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-' non-polymer        55  26 .
140      140 'N-PALMITOYLGLYCINE                  ' non-polymer        56  22 .
141      141 'PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONE ' non-polymer        13  11 .
142      142 'CARBIDOPA                           ' non-polymer        29  16 .
143      143 'S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL' peptide            28  17 .
144      144 'TRIS-HYDROXYMETHYL-METHYL-AMMONIUM  ' non-polymer        20   8 .
145      145 '1-O-[O-NITROPHENYL]-BETA-D-GALACTOPY' non-polymer        36  21 .
146      146 '"[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-' non-polymer       106  62 .
147      147 '1-O-[P-NITROPHENYL]-BETA-D-GALACTOPY' pyranose           36  21 .
149      149 'D-galactonolactone                  ' pyranose           22  12 .
14A      14A 'N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-' non-polymer        54  27 .
14C      14C '2-(2-chloropyridin-4-yl)-4-methyl-1H' non-polymer        28  19 .
14H      14H 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        69  28 .
14I      14I '.                                   ' non-polymer        28  22 .
14O      14O '5-fluoro-1H-indole                  ' non-polymer        16  10 .
14T      14T '3,4-DIFLUOROPHENYL 2-DEOXY-2-[(DIFLU' non-polymer        40  25 .
14W      14W 'N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE' non-polymer        28  13 .
150      150 '4,5-DIMETHYL-1,2-PHENYLENEDIAMINE   ' non-polymer        22  10 .
151      151 '"(2S)-3-METHYL-2-((2R,3S)-3-[(METHYL' non-polymer        59  30 .
152      152 'CARNITINE                           ' non-polymer        26  11 .
153      153 '"(2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-T' non-polymer        50  33 .
154      154 '"(2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN' non-polymer        57  37 .
155      155 '6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOP' non-polymer        53  29 .
156      156 '"4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6' non-polymer        52  27 .
157      157 '6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPT' non-polymer        38  16 .
158      158 '3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PEN' non-polymer        23  13 .
159      159 '2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMO' non-polymer        27  17 .
15A      15A '(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)im' non-polymer        32  15 .
15B      15B 'N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1' non-polymer        74  37 .
15C      15C '2-(4-acetylphenyl)-4-methyl-1H-isoin' non-polymer        34  21 .
15M      15M '(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-' non-polymer        67  30 .
15P      15P 'POLYETHYLENE GLYCOL (N=34)          ' non-polymer       244 104 .
15X      15X '1-{4-[(2-fluoro-6-methoxy-3'-nitrobi' non-polymer        47  29 .
160      160 '"3-(3-{2-[(5-METHANESULFONYL-THIOPHE' non-polymer        58  35 .
161      161 '"5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLC' non-polymer        50  32 .
162      162 '"(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H' non-polymer        64  33 .
163      163 '"(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H' non-polymer        64  33 .
164      164 '2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYC' non-polymer        27  17 .
165      165 'N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANY' non-polymer        74  39 .
166      166 '6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HY' non-polymer        53  28 .
167      167 '6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-ME' non-polymer        56  29 .
168      168 'PANTOTHENYL-AMINOETHANOL-ACETATE PIV' non-polymer        59  27 .
169      169 '"1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE' non-polymer        62  30 .
16A      16A 'CETYL-TRIMETHYL-AMMONIUM            ' non-polymer        62  20 .
16C      16C 'N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-' non-polymer       105  38 .
16D      16D 'HEXANE-1,6-DIAMINE                  ' non-polymer        24   8 .
16G      16G 'N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE  ' pyranose           33  19 .
16H      16H 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        75  30 .
16P      16P '3,6,9,12,15,18-HEXAOXAICOSANE       ' non-polymer        50  20 .
16U      16U 'N-(3-chlorobenzyl)-1-(4-methylpentan' non-polymer        48  23 .
16X      16X '4-(2-amino-4-methyl-1,3-thiazol-5-yl' non-polymer        35  23 .
170      170 '(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-O' non-polymer        54  37 .
171      171 '2-PHENYLAMINO-ETHANESULFONIC ACID   ' non-polymer        24  13 .
172      172 '2-AMINO-5-HYDROXY-BENZIMIDAZOLE     ' non-polymer        18  11 .
173      173 'BENZOYL-FORMIC ACID                 ' non-polymer        16  11 .
174      174 '4-CHLORO-BENZOIC ACID               ' non-polymer        14  10 .
175      175 '3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZO' non-polymer        30  15 .
176      176 '"1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-' non-polymer        61  34 .
177      177 '"1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYR' non-polymer        68  33 .
178      178 '4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-' non-polymer        43  21 .
179      179 'N-[(naphthalen-2-ylamino)(oxo)acetyl' non-polymer        47  27 .
17A      17A '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        66  36 .
17B      17B '(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)im' non-polymer        38  17 .
17H      17H '17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-P' non-polymer        51  23 .
17M      17M '17-METHYL-17-ALPHA-DIHYDROEQUILENIN ' non-polymer        43  21 .
17R      17R '(2R)-4-[4-fluoro-2-(trifluoromethyl)' non-polymer        51  32 .
180      180 '"2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-' non-polymer        59  34 .
181      181 '1-((2-HYDROXYETHOXY)METHYL)-5-(PHENY' non-polymer        34  20 .
182      182 '1-((2-HYDROXYETHOXY)METHYL)-5-(PHENY' non-polymer        34  20 .
183      183 '1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BE' non-polymer        50  28 .
184      184 '"6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6' non-polymer        56  29 .
185      185 '(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHEN' non-polymer        45  29 .
186      186 '"[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLC' non-polymer        54  30 .
187      187 '1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[' non-polymer        54  37 .
188      188 'PYOCHELIN FE(III)                   ' non-polymer        36  22 .
189      189 'N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[' non-polymer        84  41 .
18B      18B '.                                   ' non-polymer        77  43 .
18C      18C 'N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-' non-polymer       111  40 .
18D      18D '"3,5-DIDEOXY-5-(PROPANOYLAMINO)-D-GL' non-polymer        42  22 .
18N      18N '1H-benzo[de]isoquinoline-1,3(2H)-dio' non-polymer        22  15 .
190      190 'N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROM' non-polymer        77  40 .
191      191 'PROPIONYL COENZYME A                ' non-polymer        89  52 .
192      192 '1-AMINOCYCLOBUTANECARBOXLIC ACID    ' non-polymer        16   8 .
193      193 '(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUT' peptide            27  13 .
194      194 '4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}' non-polymer        43  31 .
195      195 '4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHE' non-polymer        59  43 .
196      196 '3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDRO' non-polymer        31  21 .
197      197 '"4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YL' non-polymer        73  41 .
198      198 'R-BICALUTAMIDE                      ' non-polymer        43  29 .
199      199 'N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHEN' non-polymer        55  31 .
19A      19A 'N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-' non-polymer        37  21 .
19B      19B '4-methyl-N-(3-morpholin-4-ylphenyl)-' non-polymer        69  37 .
19U      19U '1-[(2R)-2-aminobutanoyl]-N-(3-chloro' non-polymer        44  22 .
1A2      1A2 '"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO' non-polymer        52  30 .
1AA      1AA '"5'-O-[({[(2-{[(2-AMINOPHENYL)CARBON' non-polymer        59  37 .
1AB      1AB '1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL  ' non-polymer        20   9 .
1AC      1AC '1-AMINOCYCLOPROPANECARBOXYLIC ACID  ' non-polymer        13   7 .
1AD      1AD '(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PR' non-polymer        44  19 .
1AE      1AE '(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DI' non-polymer        22  13 .
1AF      1AF '2,4-BIS{[4-(N-CYCLOPENTYLDIAMINOMETH' non-polymer        69  33 .
1AH      1AH '3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-' non-polymer        86  45 .
1AL      1AL 'ALLANTOATE ION                      ' non-polymer        19  12 .
1AN      1AN '2-FLUOROANILINE                     ' non-polymer        14   8 .
1AP      1AP '2,6-DIAMINOPURINE NUCLEOTIDE        ' DNA                36  23 .
1AR      1AR '4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-AL' pyranose           30  14 .
1AU      1AU '1-[1-(3-aminophenyl)-3-tert-butyl-1H' non-polymer        55  30 .
1AW      1AW '1-[1-(3-aminophenyl)-3-tert-butyl-1H' non-polymer        49  26 .
1AZ      1AZ '1-(3,4-dichlorobenzyl)-3,7-dimethyl-' non-polymer        47  28 .
1BA      1BA '4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZ' non-polymer        41  21 .
1BD      1BD '3-[({(1E)-[2-(trifluoromethyl)phenyl' non-polymer        27  18 .
1BH      1BH 'N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-' non-polymer        67  34 .
1BM      1BM '3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(' non-polymer        61  32 .
1BN      1BN '1-BENZYL-1H-IMIDAZOLE               ' non-polymer        22  12 .
1BO      1BO '1-BUTANOL                           ' non-polymer        15   5 .
1BP      1BP '1-BROMOPROPANE-2-OL                 ' non-polymer        12   5 .
1BU      1BU '1-{4-[(6-aminoquinazolin-4-yl)amino]' non-polymer        68  38 .
1BY      1BY '[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIY' non-polymer        29  17 .
1C2      1C2 '"3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3' non-polymer        49  26 .
1C5      1C5 '[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GL' non-polymer        77  41 .
1CA      1CA 'DESOXYCORTICOSTERONE                ' non-polymer        54  24 .
1CB      1CB 'CYCLOPENTANAMINE                    ' non-polymer        17   6 .
1CD      1CD '(13R,15S)-13-METHYL-16-OXA-8,9,12,22' non-polymer        51  30 .
1CE      1CE '3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-t' non-polymer        32  20 .
1CI      1CI '1-(4-CHLOROPHENYL)-1H-IMIDAZOLE     ' non-polymer        19  12 .
1CM      1CM '(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMI' non-polymer        34  18 .
1CN      1CN '5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL' non-polymer        29  22 .
1CP      1CP 'COPROPORPHYRIN I                    ' non-polymer        88  48 .
1CR      1CR '"PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-' non-polymer       175 103 .
1CS      1CS '1-(2-CHLOROPHENYLSULFONYL)-3-(4-METH' non-polymer        35  23 .
1CX      1CX '(5S)-4,5-difluoro-6-[(2-fluoro-4-iod' non-polymer        36  24 .
1CY      1CY '1-(4-chlorophenyl)-6,6-dimethyl-1,6-' non-polymer        31  17 .
1D2      1D2 'CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMET' non-polymer        63  24 .
1D4      1D4 'CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIME' non-polymer        66  25 .
1DA      1DA '1-DEAZA-ADENOSINE                   ' non-polymer        33  19 .
1DB      1DB '1-DECANE-SULFONIC-ACID              ' non-polymer        36  14 .
1DG      1DG '(4R)-ISONICOTINIC-ACETYL-NICOTINAMID' non-polymer        85  56 .
1DM      1DM 'N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YL' non-polymer        75  39 .
1DO      1DO '1-DODECANOL                         ' non-polymer        39  13 .
1DP      1DP 'N1-deaza-adenosine-5'-monophosphate ' non-polymer        36  23 .
1DR      1DR '1,10-dihydropyrrolo[2,3-a]carbazole-' non-polymer        28  18 .
1EM      1EM '(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHY' non-polymer        81  31 .
1EU      1EU '1-(4-acetyl-6-pyridin-3-yl-1H-benzim' non-polymer        41  24 .
1F1      1F1 '1H-indole-6-carboxylic acid         ' non-polymer        18  12 .
1FA      1FA '"[(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-' non-polymer        68  42 .
1FH      1FH '12-PHENYLHEME                       ' non-polymer        85  49 .
1FL      1FL '5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BEN' non-polymer        25  18 .
1FN      1FN '1-(4-fluorophenyl)-N-[3-fluoro-4-(1H' non-polymer        50  34 .
1FR      1FR '3-[3-chloro-5-(5-{[(1S)-1-phenylethy' non-polymer        51  29 .
1GK      1GK 'N-(furan-2-ylmethyl)-4-[(2-methylphe' non-polymer        39  23 .
1GL      1GL '4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALAC' pyranose           25  11 .
1GN      1GN '2-DEOXY-2-AMINOGALACTOSE            ' pyranose           25  12 .
1GP      1GP 'SN-GLYCEROL-1-PHOSPHATE             ' non-polymer        17  10 .
1GW      1GW '5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DI' non-polymer        67  43 .
1HP      1HP '4-(2-amino-1-methyl-1H-imidazo[4,5-b' non-polymer        30  18 .
1IG      1IG 'N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDI' non-polymer        55  29 .
1IN      1IN '"1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-' non-polymer        96  45 .
1IP      1IP 'N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE ' non-polymer        26  16 .
1IQ      1IQ '"2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-D' non-polymer        39  23 .
1JZ      1JZ '1-[4-(hydroxymethyl)phenyl]guanidine' non-polymer        23  12 .
1L2      1L2 '"(2S)-3-(alpha-D-galactopyranosyloxy' non-polymer       135  55 .
1LG      1LG '2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETR' non-polymer        50  31 .
1LI      1LI 'N-[(1S,2R)-3-{[1-(3-tert-butylphenyl' non-polymer        72  34 .
1LP      1LP 'TRANYLCYPROMINE                     ' non-polymer        20  10 .
1LU      1LU '(2S)-2-hydroxy-4-methyl-pentanoic ac' non-polymer        20   9 .
1MA      1MA '6-HYDRO-1-METHYLADENOSINE-5'-MONOPHO' RNA                38  24 .
1MC      1MC '1-METHYLCYTOSINE                    ' non-polymer        16   9 .
1MG      1MG '1N-METHYLGUANOSINE-5'-MONOPHOSPHATE ' RNA                39  25 .
1MM      1MM '"METHYL 2-[({[(4-METHOXY-6-METHYL-1,' non-polymer        41  26 .
1MR      1MR 'N-METHYLANILINE                     ' non-polymer        17   8 .
1MS      1MS 'N-[(4-methylpyrimidin-2-yl)carbamoyl' non-polymer        34  23 .
1MZ      1MZ '1-METHYLIMIDAZOLE                   ' non-polymer        13   6 .
1N1      1N1 '"N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[' non-polymer        59  33 .
1N5      1N5 '(2R,4S)-2,4,7-trihydroxyheptanoic ac' non-polymer        25  12 .
1N8      1N8 'N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(T' non-polymer        72  41 .
1N9      1N9 '"2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY' non-polymer        96  50 .
1NB      1NB '2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENA' non-polymer        28  12 .
1NH      1NH '"(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,' non-polymer        62  35 .
1NP      1NP '1-NAPHTHOL                          ' non-polymer        19  11 .
1NT      1NT '(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDR' non-polymer        38  25 .
1O2      1O2 '"(2S)-3-(alpha-D-galactopyranosyloxy' non-polymer       133  53 .
1OH      1OH '4-(1-methyl-1-phenylethyl)phenol    ' non-polymer        32  16 .
1P1      1P1 '.                                   ' non-polymer       146  86 .
1P2      1P2 '.                                   ' non-polymer       148  86 .
1P3      1P3 '(3R)-1-ACETYL-3-METHYLPIPERIDINE    ' non-polymer        25  10 .
1P5      1P5 '(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyr' non-polymer        55  29 .
1P6      1P6 '3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]' non-polymer        42  26 .
1PA      1PA '4-(carboxymethyl)-L-phenylalanine   ' peptide            27  16 .
1PB      1PB '1,4-DIPHENYL-2-BUTENE               ' non-polymer        32  16 .
1PC      1PC '1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE   ' non-polymer        43  18 .
1PD      1PD '2-({3-[5-hydroxy-2-(3-methylbutyl)-3' non-polymer        57  35 .
1PE      1PE 'PENTAETHYLENE GLYCOL                ' non-polymer        38  16 .
1PG      1PG '2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY' non-polymer        41  17 .
1PI      1PI '(3R)-3-[(2S)-2-amino-3-oxopropyl]pip' non-polymer        32  14 .
1PL      1PL '"(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,' non-polymer        38  17 .
1PM      1PM '"methyl (3S)-3-{2-[(1,3-benzodioxol-' non-polymer        60  35 .
1PN      1PN '(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM' non-polymer        37  20 .
1PP      1PP '(S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3' non-polymer        51  27 .
1PR      1PR '"PHOSPHORIC ACID MONO-[5-({[5-CARBAM' non-polymer        62  37 .
1PS      1PS '3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE' non-polymer        24  13 .
1PT      1PT 'CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATIN' non-polymer        23   9 .
1PU      1PU '1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRR' non-polymer        39  23 .
1RB      1RB '1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE' non-polymer        35  22 .
1RC      1RC '(1R)-2-[(5-chloro-2,4-dihydroxypheny' non-polymer        42  25 .
1RG      1RG '"(4R,5S)-3-({(3S,5S)-5-[(3-carboxyph' non-polymer        58  33 .
1SA      1SA '5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAM' non-polymer        14  10 .
1SC      1SC '5'-O-THIOPHOSPHONOCYTIDINE          ' non-polymer        35  21 .
1SD      1SD '(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-' non-polymer        28  15 .
1SM      1SM '"METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN' non-polymer        41  25 .
1SP      1SP '(2S)-pentane-1,2-diol               ' non-polymer        19   7 .
1SQ      1SQ 'ISOQUINOLIN-1-AMINE                 ' non-polymer        19  11 .
1ST      1ST '(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5' non-polymer        60  36 .
1TB      1TB '"METHYL 2-[4-METHOXY-6-METHYL-1,3,5-' non-polymer        44  27 .
1TP      1TP '"1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METH' non-polymer        54  32 .
1TQ      1TQ '6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPH' peptide            31  19 .
1TY      1TY '"3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENY' peptide            40  23 .
1U4      1U4 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        66  35 .
1UN      1UN '"2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-' non-polymer        85  40 .
1X5      1X5 '2-[(cyclopropylcarbonyl)amino]-5-[me' non-polymer        42  24 .
1ZN      1ZN '"(2S,3S,4E,6E,8S,9S)-3-amino-9-metho' non-polymer        52  24 .
1ZZ      1ZZ '5'-O-[(S)-(dodecanoyloxy)(hydroxy)ph' non-polymer        71  36 .
200      200 '4-CHLORO-L-PHENYLALANINE            ' peptide            22  13 .
201      201 '3-AMIDO-5-BIPHENYL-BENZOIC ACID     ' non-polymer        38  24 .
202      202 'BROMIC ACID                         ' non-polymer         5   4 .
203      203 '1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIA' non-polymer        16  12 .
204      204 '2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOX' non-polymer        22  13 .
205      205 '2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZO' non-polymer        26  20 .
207      207 '1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPU' non-polymer        36  18 .
208      208 '"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-ME' non-polymer        53  31 .
209      209 '8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURI' non-polymer        23  14 .
20A      20A '1-ethyl-N-(phenylmethyl)-4-(tetrahyd' non-polymer        53  28 .
20C      20C '2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-' non-polymer        32  22 .
20E      20E '(2beta,3beta,5beta,22R)-2,3,14,20,22' non-polymer        78  34 .
20S      20S 'BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-' non-polymer        68  32 .
210      210 'PAMIDRONATE                         ' non-polymer        24  13 .
211      211 '2,2',2''-NITRILOTRIETHANOL          ' non-polymer        25  10 .
213      213 '.                                   ' non-polymer        76  47 .
214      214 '"6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL' non-polymer        84  52 .
215      215 '"(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHO' non-polymer        61  34 .
216      216 '[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYD' non-polymer        60  30 .
217      217 '(2S)-HEX-5-ENE-1,2-DIOL             ' non-polymer        20   8 .
218      218 '1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        38  19 .
219      219 'CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDR' non-polymer        38  20 .
21P      21P '"4-[2-(1,1,3,3-tetramethyl-2,3-dihyd' non-polymer        52  27 .
21U      21U 'D-leucyl-N-(3-chlorobenzyl)-L-prolin' non-polymer        50  24 .
220      220 'UNDECA-3,7-DIENE-1,3,7,11-TETRACARBA' non-polymer        39  19 .
221      221 '(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)' non-polymer        32  23 .
222      222 '2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2' non-polymer        56  37 .
223      223 '(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D' non-polymer        36  19 .
224      224 '1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-' non-polymer        37  20 .
225      225 'FELODIPINE                          ' non-polymer        44  25 .
226      226 'naphthalene-1,2,4,5,7-pentol        ' non-polymer        23  15 .
227      227 '6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZ' non-polymer        63  34 .
228      228 'N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-' non-polymer        55  31 .
229      229 '7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROX' non-polymer        35  19 .
22A      22A '7-({[2-hydroxy-1-(hydroxymethyl)ethy' non-polymer        31  17 .
22B      22B 'BACTERIORUBERIN                     ' non-polymer       130  54 .
22F      22F '(4-fluorophenyl)(pyridin-4-yl)methan' non-polymer        23  15 .
22K      22K '5-[(1R,3S)-3-aminocyclohexyl]-6-brom' non-polymer        44  24 .
22M      22M '2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBO' non-polymer        34  19 .
22U      22U 'D-phenylalanyl-N-(3-chlorobenzyl)-L-' non-polymer        51  27 .
22X      22X '(3R)-3-[(1S)-4-(acetylamino)-1-(3-ch' non-polymer        81  36 .
230      230 '(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[' non-polymer        56  34 .
232      232 '1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]' non-polymer       113  57 .
233      233 '"[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHY' non-polymer        50  24 .
234      234 '"5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHO' non-polymer        45  30 .
235      235 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        56  30 .
237      237 '"(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-' non-polymer        62  37 .
238      238 '.                                   ' non-polymer        42  28 .
239      239 '6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMI' non-polymer        42  24 .
23A      23A '2,3-DIHYDROXYBENZALDEHYDE           ' non-polymer        16  10 .
23C      23C '"2-[(1R)-1-carboxy-2-naphthalen-1-yl' non-polymer        42  29 .
23D      23D 'N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3' non-polymer        51  27 .
23F      23F '(2Z)-2-AMINO-3-PHENYLACRYLIC ACID   ' non-polymer        20  12 .
23G      23G '.                                   ' RNA                37  27 .
23I      23I '"N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-' non-polymer       104  49 .
23M      23M '2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBO' non-polymer        34  19 .
23N      23N '(2R)-2-benzyl-3-nitropropanoic acid ' non-polymer        25  15 .
23Q      23Q '(2S,3S,11bS)-3-[3-(fluoromethyl)phen' non-polymer        54  27 .
23R      23R '(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-' non-polymer        79  33 .
23S      23S '(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PY' peptide            23  14 .
23T      23T '2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPH' non-polymer        41  28 .
23U      23U 'beta-phenyl-D-phenylalanyl-N-(3-chlo' non-polymer        61  33 .
23Z      23Z '(2R)-1-{5-acetyl-3-[3-{[2-oxo-2-(1H-' non-polymer        85  45 .
240      240 '"(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-' non-polymer        61  38 .
241      241 '"(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-' non-polymer        61  38 .
242      242 '3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-' non-polymer        48  31 .
243      243 '(9Z,11E,13S)-13-hydroxyoctadeca-9,11' non-polymer        52  21 .
244      244 '[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BEN' non-polymer        31  20 .
245      245 '1-(2-chloropyridin-4-yl)-3-phenylure' non-polymer        27  17 .
246      246 '1-benzyl-3-(2-chloropyridin-4-yl)ure' non-polymer        30  18 .
247      247 '(3R)-3-amino-2,2-difluoro-3-(4-hydro' non-polymer        23  15 .
24A      24A '"{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHY' non-polymer        61  33 .
24B      24B '(2,4-DIFLUOROPHENYL)METHANOL        ' non-polymer        16  10 .
24D      24D 'N-(2,4-dichlorobenzyl)-4-(pyrimidin-' non-polymer        43  25 .
24F      24F '"(2R)-({[5-(4-ethoxyphenyl)thiophen-' non-polymer        63  34 .
24H      24H '"{[(1S)-2-(2-amino-6-oxo-1,6-dihydro' non-polymer        35  21 .
24I      24I '(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPH' non-polymer        35  21 .
24P      24P '(2R)-2-[(4-benzylphenoxy)methyl]pyrr' non-polymer        41  20 .
24T      24T '2-AMINO-4-METHYLTHIAZOLE            ' non-polymer        13   7 .
24U      24U '1-butanoyl-N-(4-carbamimidoylbenzyl)' non-polymer        47  23 .
24X      24X '.                                   ' non-polymer        63  35 .
250      250 '(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)' non-polymer        37  17 .
251      251 'N-[amino(imino)methyl]-2-(2,5-diphen' non-polymer        42  24 .
252      252 '(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPH' non-polymer        40  18 .
253      253 '10,11-dimethoxy-4-methyldibenzo[c,f]' non-polymer        43  25 .
254      254 '"6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHY' non-polymer        56  30 .
255      255 'N-(tert-butyl)-4-[5-(pyridin-2-ylami' non-polymer        55  31 .
256      256 'PHENYL(SULFO)ACETIC ACID            ' non-polymer        21  14 .
258      258 '(2-chloroethoxy)benzene             ' non-polymer        19  10 .
259      259 '1-(methylsulfanyl)-4-nitrobenzene   ' non-polymer        18  11 .
25A      25A '5'-O-MONOPHOSPHORYLADENYLYL(2'->5')A' non-polymer       101  67 .
25B      25B '(1R,2R)-2-[(4-chlorophenyl)carbonyl]' non-polymer        68  34 .
25D      25D '2-cyclohexyl-N-[(3-{[(2,4,6-trimethy' non-polymer        71  37 .
25H      25H '{2-[2-(2-amino-6-oxo-1,6-dihydro-9H-' non-polymer        34  20 .
25P      25P '4-[(2S)-2-{[4-(4-chlorophenoxy)pheno' non-polymer        50  27 .
25R      25R '2,5-dimethylpyrazine                ' non-polymer        16   8 .
25T      25T '2-AMINO-5-METHYLTHIAZOLE            ' non-polymer        14   7 .
260      260 '2-(bromomethyl)-1,3-difluorobenzene ' non-polymer        15  10 .
261      261 '2-ethoxyphenol                      ' non-polymer        20  10 .
262      262 '2-FORMYLPHENYL DIHYDROGEN PHOSPHATE ' non-polymer        18  13 .
263      263 '1-(azidomethyl)-3-methylbenzene     ' non-polymer        20  11 .
264      264 '(phenylamino)acetonitrile           ' non-polymer        18  10 .
265      265 '2-nitrothiophene                    ' non-polymer        11   8 .
266      266 '2-(propylsulfanyl)ethanol           ' non-polymer        19   7 .
268      268 '2-phenoxyethanol                    ' non-polymer        20  10 .
269      269 '(1R)-3-chloro-1-phenylpropan-1-ol   ' non-polymer        22  11 .
26A      26A '6N-DIMETHYLADENOSINE                ' non-polymer        38  21 .
26B      26B 'O-tert-butyl-N-[(3-{[(2,4,6-trimethy' non-polymer        71  37 .
26C      26C '.                                   ' non-polymer        24  17 .
26D      26D 'PYRIDINE-2,6-DIAMINE                ' non-polymer        15   8 .
26P      26P '2-AMINO-6-OXOPIMELIC ACID           ' non-polymer        22  13 .
26U      26U 'N-(4-carbamimidoylbenzyl)-1-(4-methy' non-polymer        53  25 .
270      270 '2H-BENZOIMIDAZOL-2-YLAMINE          ' non-polymer        17  10 .
271      271 'N-methyl-1-phenylmethanamine        ' non-polymer        20   9 .
272      272 '4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)B' non-polymer        27  18 .
273      273 'cyclopentanecarboximidamide         ' non-polymer        20   8 .
274      274 '(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIME' non-polymer        69  39 .
275      275 '5-amino-1,2-dimethylpyridinium      ' non-polymer        20   9 .
276      276 '4-[[2-[[4-chloro-3-(trifluoromethyl)' non-polymer        47  32 .
277      277 'N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-' non-polymer        53  23 .
278      278 '1-(1-methyl-1H-pyrrol-2-yl)methanami' non-polymer        18   8 .
279      279 'N-ethyl-4-{[5-(methoxycarbamoyl)-2-m' non-polymer        50  28 .
27A      27A '(Z)-2-[2-(4-methylpiperazin-1-yl)ben' non-polymer        38  19 .
27P      27P '1-[2-(4-benzylphenoxy)ethyl]pyrrolid' non-polymer        44  21 .
27U      27U 'N-(4-carbamimidoylbenzyl)-1-(3-pheny' non-polymer        54  28 .
280      280 '1-methyl-1H-imidazole-5-carbaldehyde' non-polymer        14   8 .
281      281 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        57  33 .
282      282 '3-methoxypyridine                   ' non-polymer        15   8 .
283      283 '(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]' non-polymer        37  20 .
284      284 '(4S)-4-methyl-1,4,5,6-tetrahydropyri' non-polymer        20   8 .
285      285 '(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazo' non-polymer        21   8 .
286      286 '2-ethenyl-1-methylpyridinium        ' non-polymer        19   9 .
287      287 '4-{[5-(methoxycarbamoyl)-2-methylphe' non-polymer        60  34 .
288      288 '"5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACI' non-polymer        49  25 .
289      289 'D-glycero-alpha-D-manno-heptopyranos' pyranose           28  14 .
28P      28P 'N-[3-(4-benzylphenoxy)propyl]-N-meth' non-polymer        48  24 .
290      290 '6-methyl-3,9-dihydro-2H-purin-2-one ' non-polymer        17  11 .
291      291 'prop-2-en-1-yl 7-O-carbamoyl-L-glyce' pyranose           39  20 .
292      292 'N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-' non-polymer        39  22 .
293      293 '(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyet' pyranose           27  13 .
294      294 'N-hydroxy-4-({4-[4-(trifluoromethyl)' non-polymer        48  30 .
295      295 '(2S,3S)-3-(4-fluorophenyl)-2,3-dihyd' non-polymer        22  14 .
296      296 '(3R)-3-amino-2,2-difluoro-3-(4-metho' non-polymer        26  16 .
297      297 'dodecane-1,12-diamine               ' non-polymer        42  14 .
298      298 'N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(' non-polymer        34  14 .
299      299 '2,6-DIFORMYL-4-METHYLPHENYL DIHYDROG' non-polymer        23  16 .
29U      29U '1-[(2R)-2-aminobutanoyl]-N-(4-carbam' non-polymer        49  24 .
2A1      2A1 '(2S)-2-aminopropan-1-ol             ' non-polymer        14   5 .
2A5      2A5 '.                                   ' non-polymer        45  29 .
2A6      2A6 '2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE ' non-polymer        45  24 .
2AA      2AA '"5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAP' non-polymer        73  44 .
2AB      2AB '4-(2-AMINOETHYL)BENZENESULFONIC ACID' non-polymer        23  12 .
2AC      2AC '2-AMINO-P-CRESOL                    ' non-polymer        18   9 .
2AD      2AD '2'-AMINO-2'-DEOXYADENOSINE          ' non-polymer        33  19 .
2AF      2AF '2-AMINOPHENOL                       ' non-polymer        15   8 .
2AG      2AG '(2S)-2-aminopent-4-enoic acid       ' peptide            16   8 .
2AH      2AH '.                                   ' non-polymer        95  50 .
2AI      2AI '1H-imidazol-2-amine                 ' non-polymer        11   6 .
2AL      2AL '1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL' non-polymer        15  11 .
2AM      2AM 'ADENOSINE-2'-MONOPHOSPHATE          ' non-polymer        35  23 .
2AN      2AN '1-ANILINO-8-NAPHTHALENE SULFONATE   ' non-polymer        34  21 .
2AO      2AO '(2S)-2-AMINOHEXAN-1-OL              ' non-polymer        23   8 .
2AP      2AP '2-AMINOPYRIDINE                     ' non-polymer        14   7 .
2AQ      2AQ 'QUINOLIN-2-AMINE                    ' non-polymer        19  11 .
2AR      2AR '2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE  ' DNA                36  22 .
2AS      2AS '(2S,3S)-3-methyl-aspartic acid      ' peptide            17  10 .
2AT      2AT '.                                   ' DNA                42  25 .
2AU      2AU '2'-AMINOURIDINE                     ' RNA                33  21 .
2AZ      2AZ 'N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5' non-polymer        66  36 .
2B5      2B5 '2-(2-((benzofuran-2-carboxamido)meth' non-polymer        45  28 .
2BA      2BA '.                                   ' non-polymer        66  44 .
2BB      2BB '(2S,3R)-N~4~-[(1S)-1-(dimethylcarbam' non-polymer        55  24 .
2BC      2BC '"N'-[(1E)-(3,5-dibromo-2,4-dihydroxy' non-polymer        37  25 .
2BD      2BD '.                                   ' DNA                44  27 .
2BE      2BE '4-chloro-N'-[(1E)-(3,5-dibromo-2,4-d' non-polymer        31  22 .
2BF      2BF 'ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ' non-polymer        35  19 .
2BH      2BH '[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENY' non-polymer        25  13 .
2BL      2BL '(3R)-3-ethyl-N-[(4-methylphenyl)sulf' non-polymer        36  21 .
2BM      2BM 'DIBROMOMETHANE                      ' non-polymer         5   3 .
2BN      2BN '(1R,4S)-2-AZABORNANE                ' non-polymer        27  10 .
2BP      2BP '9H-purin-2-amine                    ' non-polymer        15  10 .
2BR      2BR '2-BROMOPHENOL                       ' non-polymer        13   8 .
2BS      2BS 'ethyl 2-amino-1,3-benzothiazole-6-ca' non-polymer        25  15 .
2BT      2BT '2'-O-BUTYL-THYMIDINE                ' DNA                47  26 .
2BU      2BU '.                                   ' DNA                49  29 .
2BZ      2BZ '5-(2-chlorophenyl)-3-methyl-7-nitrop' non-polymer        35  25 .
2C2      2C2 '(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXY' non-polymer        21  14 .
2C5      2C5 '"2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-' non-polymer        50  33 .
2C7      2C7 '2-(cycloheptylmethyl)-1,1-dioxido-1-' non-polymer        45  24 .
2CA      2CA '"BENZOFURAN-2-CARBOXYLIC ACID {(S)-3' non-polymer        67  37 .
2CC      2CC '3,4-bis(7-chloro-1H-indol-3-yl)-1H-p' non-polymer        42  31 .
2CE      2CE 'N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETH' non-polymer        68  37 .
2CF      2CF '"(2E,6E)-2-fluoro-3,7,11-trimethyldo' non-polymer        49  25 .
2CG      2CG '(1R,2R)-3-[(S)-amino(carboxy)methyl]' non-polymer        20  14 .
2CH      2CH '2-CHLOROPHENOL                      ' non-polymer        13   8 .
2CL      2CL '(2,6-DICHLOROPHENYL)ACETIC ACID     ' non-polymer        17  12 .
2CM      2CM '2-CHLORO-6-METHYL-ANILINE           ' non-polymer        17   9 .
2CO      2CO 'S-HYDROPEROXYCYSTEINE               ' peptide            15   9 .
2CP      2CP '2-CARBOXYPROPYL-COENZYME A          ' non-polymer        91  54 .
2CS      2CS '"3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBE' non-polymer        75  41 .
2CY      2CY '5-[3-(3-fluorophenoxy)propoxy]quinaz' non-polymer        41  24 .
2D7      2D7 'N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-D' non-polymer        40  26 .
2D9      2D9 '4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)' non-polymer        54  31 .
2DA      2DA '2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPH' non-polymer        33  21 .
2DB      2DB '(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXY' non-polymer        20  10 .
2DC      2DC '(3alpha,8alpha,22R)-cholest-5-ene-3,' non-polymer        76  30 .
2DD      2DD '"3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1' non-polymer        43  28 .
2DE      2DE '(2E,6E)-7,11-dimethyldodeca-2,6,10-t' non-polymer        46  23 .
2DF      2DF 'N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANO' non-polymer        25  15 .
2DG      2DG '2-DEOXY-BETA-D-GALACTOSE            ' pyranose           23  11 .
2DI      2DI '9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYD' non-polymer        29  17 .
2DL      2DL '2-METHYL-4-DIETHYLAMIDE-PHENOL      ' non-polymer        33  16 .
2DM      2DM '2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPY' non-polymer        44  27 .
2DO      2DO '(2S)-2-AMINOHEXANE-1,1-DIOL         ' non-polymer        24   9 .
2DP      2DP '3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHO' non-polymer       156  60 .
2DR      2DR '2-deoxy-beta-D-erythro-pentofuranose' non-polymer        19   9 .
2DS      2DS 'N-[(2,3-dihydroxyphenyl)carbonyl]-O-' non-polymer        52  33 .
2DT      2DT '3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE  ' non-polymer        33  20 .
2E1      2E1 '5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-E' non-polymer        45  25 .
2E3      2E3 '"(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pent' non-polymer        54  27 .
2EA      2EA '(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUI' non-polymer        52  30 .
2ED      2ED 'N-[(1R,2R,3E)-2-hydroxy-1-(hydroxyme' non-polymer        63  24 .
2EG      2EG '.                                   ' DNA                41  25 .
2EH      2EH '(2S)-2-ethylhexan-1-ol              ' non-polymer        27   9 .
2EP      2EP '2-ETHYLPIPERIDINE                   ' non-polymer        23   8 .
2EQ      2EQ '5-(5-chloro-2,4-dihydroxyphenyl)-N-e' non-polymer        56  32 .
2EZ      2EZ '2-ETHYLIMIDAZOLE                    ' non-polymer        15   7 .
2FA      2FA '2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HY' non-polymer        32  20 .
2FD      2FD '5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HY' non-polymer        31  19 .
2FE      2FE '2'-fluoro-2'-deoxy-1,N6-ethenoadenin' non-polymer        36  25 .
2FF      2FF '"(5-(aminomethyl)-2H-spiro[benzofura' non-polymer        55  31 .
2FG      2FG '2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRAN' pyranose           23  12 .
2FH      2FH '2-PHENYLHEME                        ' non-polymer        83  49 .
2FI      2FI '2'-fluoro-2'-deoxyinosine           ' non-polymer        33  23 .
2FL      2FL '2-FLUORO-2-DEOXY-LACTOSE            ' saccharide         44  23 .
2FM      2FM 'S-(DIFLUOROMETHYL)HOMOCYSTEINE      ' peptide            19  11 .
2FP      2FP '1,6-FRUCTOSE DIPHOSPHATE (LINEAR FOR' non-polymer        30  20 .
2FR      2FR '3-[3-(3-methyl-6-{[(1S)-1-phenylethy' non-polymer        55  30 .
2FT      2FT '2,2-difluoropentanedioic acid       ' non-polymer        15  11 .
2FU      2FU 'BUT-2-ENEDIAL                       ' non-polymer        10   6 .
2FX      2FX '1-benzothiophen-2-ylacetic acid     ' non-polymer        20  13 .
2G0      2G0 '(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,' non-polymer        83  38 .
2GG      2GG '5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-E' non-polymer        44  27 .
2GJ      2GJ '5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PH' non-polymer        65  34 .
2GL      2GL '4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALAC' pyranose           27  13 .
2GP      2GP 'GUANOSINE-2'-MONOPHOSPHATE          ' non-polymer        36  24 .
2GS      2GS '2-O-METHYL-ALPHA-D-GALACTOPYRANOSE  ' non-polymer        27  13 .
2GT      2GT '.                                   ' DNA                40  25 .
2HA      2HA 'DIHYDROXYACETONE                    ' non-polymer        12   6 .
2HC      2HC '(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID' non-polymer        19  12 .
2HE      2HE '(2-hydroxyethyl)phosphonic acid     ' non-polymer        14   7 .
2HF      2HF '2-fluoro-L-histidine                ' peptide            20  12 .
2HI      2HI '(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPH' non-polymer        32  20 .
2HP      2HP 'DIHYDROGENPHOSPHATE ION             ' non-polymer         5   5 .
2HR      2HR 'HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-' non-polymer        47  20 .
2HS      2HS 'HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-' non-polymer        47  20 .
2HT      2HT '3-methylbenzonitrile                ' non-polymer        16   9 .
2IB      2IB '2-IODOBENZYL GROUP                  ' non-polymer        15   8 .
2IC      2IC '"5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5' non-polymer        56  37 .
2IG      2IG '6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CA' non-polymer        53  28 .
2IH      2IH '1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE' non-polymer        34  16 .
2IM      2IM 'PIPERIDIN-2-IMINE                   ' non-polymer        17   7 .
2IN      2IN 'N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMI' non-polymer        56  31 .
2IP      2IP 'D-MYO-INOSITOL-1,4-BISPHOSPHATE     ' non-polymer        30  20 .
2JZ      2JZ 'N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(' non-polymer        64  38 .
2KL      2KL '2-amino-4-[2,4-dichloro-5-(2-pyrroli' non-polymer        54  31 .
2KT      2KT '2-KETOBUTYRIC ACID                  ' non-polymer        12   7 .
2LG      2LG '2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-C' non-polymer        48  28 .
2LI      2LI 'N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylp' non-polymer        73  37 .
2LP      2LP '2-ALLYLPHENOL                       ' non-polymer        20  10 .
2M3      2M3 '2-methyl-3-{(3S)-1-[(1-pyridin-2-ylc' non-polymer        48  26 .
2MA      2MA '2-METHYLADENOSINE-5'-MONOPHOSPHATE  ' RNA                38  24 .
2MB      2MB '2-METHYL BUT-2-ENE                  ' non-polymer        15   5 .
2MC      2MC 'METHACRYLYL-COENZYME A              ' non-polymer        89  53 .
2MD      2MD '.                                   ' non-polymer        73  47 .
2ME      2ME 'METHOXYETHANE                       ' non-polymer        12   4 .
2MG      2MG '2N-METHYLGUANOSINE-5'-MONOPHOSPHATE ' RNA                39  25 .
2MH      2MH 'cis-4-methylcyclohexanamine         ' non-polymer        23   8 .
2MI      2MI '2-METHYL-1H-INDOLE                  ' non-polymer        19  10 .
2ML      2ML '2-METHYLLEUCINE                     ' peptide            24  10 .
2MM      2MM 'N,N-dimethyl-L-methionine           ' non-polymer        25  11 .
2MN      2MN '2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL' non-polymer        21  12 .
2MO      2MO 'MOLYBDENUM (IV)OXIDE                ' non-polymer         3   3 .
2MP      2MP '3,4-DIMETHYLPHENOL                  ' non-polymer        19   9 .
2MQ      2MQ '6-amino-4-(2-aminoethyl)-2-(methylam' non-polymer        35  20 .
2MR      2MR 'N3, N4-DIMETHYLARGININE             ' peptide            31  14 .
2MT      2MT '(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4' non-polymer        20  10 .
2MU      2MU '2',5-DIMETHYLURIDINE-5'-MONOPHOSPHAT' RNA                38  23 .
2MV      2MV '(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[' non-polymer        79  33 .
2MY      2MY '2,6-dimethylphenol                  ' non-polymer        19   9 .
2MZ      2MZ '2-METHYLIMIDAZOLE                   ' non-polymer        12   6 .
2NA      2NA 'naphthalen-2-ylmethanol             ' non-polymer        22  12 .
2NC      2NC 'N-{(2S)-2-[(N-acetyl-L-threonyl-L-is' non-polymer       122  54 .
2ND      2ND '2'-DEOXYINOSINE                     ' non-polymer        30  18 .
2NF      2NF '"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-y' non-polymer        69  44 .
2NH      2NH 'N-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYL' non-polymer       109  48 .
2NI      2NI 'N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)O' non-polymer        40  23 .
2NO      2NO 'NITROGEN DIOXIDE                    ' non-polymer         4   3 .
2NP      2NP 'L-2-AMINO-6-METHYLENE-PIMELIC ACID  ' non-polymer        24  13 .
2NT      2NT '.                                   ' DNA                48  28 .
2O7      2O7 '7A-[(4-cyanophenyl)methyl]-6-(3,5-di' non-polymer        43  28 .
2OB      2OB 'CHOLESTERYL OLEATE                  ' non-polymer       125  47 .
2OH      2OH '4,4'-PROPANE-2,2-DIYLDIPHENOL       ' non-polymer        33  17 .
2OM      2OM '.                                   ' RNA                36  24 .
2OP      2OP '(2S)-2-HYDROXYPROPANOIC ACID        ' non-polymer        11   6 .
2OS      2OS '3-N-OCTANOYLSUCROSE                 ' non-polymer        68  32 .
2OT      2OT '.                                   ' DNA                50  28 .
2PA      2PA 'DIAMIDOPHOSPHATE                    ' non-polymer        10   5 .
2PB      2PB '2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE   ' non-polymer        18  13 .
2PC      2PC '3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLA' non-polymer        15   8 .
2PD      2PD '5-hydroxy-4-(7-methoxy-1,1-dioxido-2' non-polymer        57  33 .
2PE      2PE 'NONAETHYLENE GLYCOL                 ' non-polymer        66  28 .
2PF      2PF '.                                   ' non-polymer       104  68 .
2PG      2PG '2-PHOSPHOGLYCERIC ACID              ' non-polymer        15  11 .
2PH      2PH '[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-P' non-polymer        30  22 .
2PM      2PM 'N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMET' non-polymer        40  19 .
2PN      2PN 'IMIDODIPHOSPHORIC ACID              ' non-polymer        14   9 .
2PO      2PO 'PHOSPHONATE                         ' non-polymer         5   4 .
2PP      2PP '2-PROPYL-PENTANOIC ACID             ' non-polymer        25  10 .
2PQ      2PQ '"2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)' non-polymer        84  44 .
2PR      2PR '2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-' DNA                34  22 .
2PT      2PT '1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-D' non-polymer        58  28 .
2PU      2PU '1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRR' non-polymer        49  27 .
2PY      2PY '(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-' non-polymer        50  29 .
2RB      2RB 'N'-[(1E)-(3,5-dibromo-2,4-dihydroxyp' non-polymer        35  23 .
2RD      2RD '5-(dodecylthio)-1H-1,2,3-triazole-4-' non-polymer        47  21 .
2RG      2RG '"(2S,3R,4S)-4-({(3S,5S)-5-[(3-carbox' non-polymer        58  33 .
2RL      2RL 'N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXY' non-polymer        57  35 .
2S2      2S2 '(2S)-2-(1H-indol-3-yl)hexanoic acid ' non-polymer        33  17 .
2S3      2S3 '(2S)-2-(1H-indol-3-yl)pentanoic acid' non-polymer        30  16 .
2S8      2S8 '(2S)-8-[(tert-butoxycarbonyl)amino]-' non-polymer        56  27 .
2SA      2SA '"2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYM' non-polymer        45  31 .
2SC      2SC '(5-phenyl-7-(pyridin-3-ylmethylamino' non-polymer        42  25 .
2SD      2SD '(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hy' non-polymer        49  26 .
2SK      2SK '(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(' non-polymer        37  18 .
2SM      2SM 'methyl 2-{[(4-methylpyrimidin-2-yl)c' non-polymer        38  24 .
2ST      2ST '.                                   ' DNA                38  23 .
2T0      2T0 '2-amino-4,5-dihydronaphtho[1,2-d][1,' non-polymer        28  19 .
2T1      2T1 '2-[({4-[2-(trifluoromethyl)phenyl]pi' non-polymer        46  28 .
2T3      2T3 '(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OX' non-polymer        26  16 .
2T4      2T4 '{[(2-amino-8H-indeno[1,2-d][1,3]thia' non-polymer        30  19 .
2T5      2T5 '[(8H-indeno[1,2-d][1,3]thiazol-4-ylo' non-polymer        28  18 .
2T6      2T6 '{[(7-carbamoyl-8H-indeno[1,2-d][1,3]' non-polymer        32  21 .
2TB      2TB '1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHE' non-polymer        27  11 .
2TH      2TH '2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DI' non-polymer        35  22 .
2TL      2TL 'D-allothreonine                     ' peptide            16   8 .
2TN      2TN '2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PR' non-polymer        41  19 .
2TP      2TP '"2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYR' non-polymer        43  27 .
2TS      2TS '(2S)-N-[[2-(aminomethyl)-5-chloro-ph' non-polymer        75  39 .
2TY      2TY '2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDEN' peptide            40  23 .
2UN      2UN '{4-[2-BENZYL-3-METHOXY-2-(METHOXYCAR' non-polymer        49  28 .
2VA      2VA '2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE ' non-polymer        49  26 .
2XY      2XY 'N-[2-nitro-4-(trifluoromethyl)phenyl' non-polymer        32  20 .
2Z9      2Z9 '"N-acetyl-L-alpha-aspartyl-L-alpha-g' non-polymer        64  35 .
300      300 '2-FORMYL-6-METHOXYPHENYL DIHYDROGEN ' non-polymer        22  15 .
301      301 'N6-(penta-2,3-dienyl)adenine        ' non-polymer        26  15 .
302      302 '"4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TET' non-polymer        38  25 .
303      303 '6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOP' non-polymer        55  29 .
304      304 'N-[2-methyl-5-(methylcarbamoyl)pheny' non-polymer        46  24 .
306      306 '3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL' non-polymer        57  32 .
307      307 '6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1' non-polymer        72  40 .
308      308 '(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec' non-polymer        28  11 .
30B      30B '.                                   ' non-polymer        99  52 .
30E      30E '"(3R,4R)-1-[3-amino-6-(3,4,5-trimeth' non-polymer        57  30 .
30X      30X 'N~2~-[4-cyano-3-(trifluoromethyl)phe' non-polymer        40  25 .
310      310 'N-carbamimidoyl-2-[2-(2-chlorophenyl' non-polymer        58  35 .
311      311 '(3,3-dimethylpiperidin-1-yl)(6-(3-fl' non-polymer        47  24 .
312      312 '"2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BE' non-polymer        55  35 .
313      313 '(dimethyl-lambda~4~-sulfanyl)acetic ' non-polymer        16   7 .
314      314 '"N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe' non-polymer        89  44 .
315      315 '(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[' non-polymer        59  31 .
316      316 '"N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop' non-polymer        87  45 .
317      317 '(2S,3S)-3-{3-[2-chloro-4-(methylsulf' non-polymer        55  30 .
318      318 '"N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi' non-polymer        84  44 .
319      319 'N-({4-[(2-aminopyridin-4-yl)oxy]-3-f' non-polymer        45  29 .
31U      31U 'D-leucyl-N-(4-carbamimidoylbenzyl)-L' non-polymer        55  26 .
320      320 '2-(4-fluorophenyl)-N-{[3-fluoro-4-(1' non-polymer        47  31 .
321      321 'N-{3-[5-hydroxy-2-(3-methylbutyl)-3-' non-polymer        59  35 .
322      322 '"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hyd' non-polymer        36  24 .
323      323 '2-[3,6-bis(dimethylamino)xanthen-9-y' non-polymer        53  31 .
324      324 'N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyr' non-polymer        41  27 .
325      325 'N-{2,4-difluoro-3-[(5-pyridin-3-yl-1' non-polymer        47  31 .
326      326 '"2-{(E)-[5-HYDROXY-3-METHYL-1-(2-MET' non-polymer        48  33 .
327      327 '(3S,5E)-3-propyl-3,4-dihydrothieno[2' non-polymer        28  14 .
328      328 '4-({4-[(4-methoxypyridin-2-yl)amino]' non-polymer        45  25 .
329      329 '(2S)-2-methyl-2,3-dihydrothieno[2,3-' non-polymer        22  12 .
32A      32A '2-[(5-hex-1-yn-1-ylfuran-2-yl)carbon' non-polymer        36  19 .
32P      32P '"3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOET' non-polymer        74  40 .
32S      32S '(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PY' peptide            23  14 .
32T      32T '(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRR' peptide            23  14 .
32U      32U 'D-phenylalanyl-N-{4-[amino(iminio)me' non-polymer        57  29 .
330      330 '9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-M' non-polymer        51  31 .
331      331 '"(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL' non-polymer        70  35 .
332      332 '(3R)-3-[(1,2,3,4-tetrahydroisoquinol' non-polymer        42  23 .
333      333 '4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H' non-polymer        42  28 .
334      334 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        34  21 .
335      335 '"[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-' non-polymer        69  44 .
336      336 '4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-' non-polymer        67  36 .
337      337 'N-benzyl-1-[5-({5-tert-butyl-2-metho' non-polymer        76  42 .
338      338 '2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BE' non-polymer        32  21 .
339      339 '(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL' non-polymer        91  46 .
33A      33A 'N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PY' non-polymer        44  27 .
33N      33N 'N-(3,3-diphenylpropyl)pyridine-3-car' non-polymer        44  24 .
33P      33P '"{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONO' non-polymer        40  24 .
33T      33T '3-chloro-4-({(2R)-4-[4-fluoro-2-(tri' non-polymer        49  31 .
33U      33U 'beta-phenyl-D-phenylalanyl-N-(4-carb' non-polymer        66  35 .
33Y      33Y '"1-methylethyl 3-[(3,4-difluoropheny' non-polymer        56  32 .
33Z      33Z '"(2S)-2-(3-{[AMINO(IMINO)METHYL]AMIN' non-polymer        81  44 .
340      340 '5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMET' non-polymer        40  23 .
341      341 '(3,5-difluorophenyl)methanol        ' non-polymer        16  10 .
342      342 '(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-' non-polymer        51  28 .
343      343 '"(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}' non-polymer        80  45 .
344      344 '6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QU' non-polymer        22  15 .
346      346 '"(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[' non-polymer        53  30 .
347      347 '"TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMI' non-polymer        63  32 .
348      348 '4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2' non-polymer        67  33 .
349      349 '5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)b' non-polymer        58  37 .
34A      34A '3,4-DIMETHYLANILINE                 ' non-polymer        20   9 .
34B      34B '2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)' non-polymer        42  22 .
34C      34C '(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC A' non-polymer        27  15 .
34D      34D '3,5-DIHYDROXYBENZOATE               ' non-polymer        16  11 .
34H      34H '(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PR' non-polymer        22  13 .
34N      34N '4-cyano-N-{(3S)-3-(4-fluorophenyl)-3' non-polymer        52  31 .
34O      34O '2-(1,3-benzodioxol-5-yl)-5-[(3-fluor' non-polymer        38  25 .
34P      34P 'N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALA' non-polymer        63  32 .
34Q      34Q '(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-' non-polymer        46  25 .
34T      34T '(3R)-8-(dioxidosulfanyl)-3-methyl-1,' non-polymer        27  14 .
34Z      34Z '3,4-dichlorobenzoate                ' non-polymer        14  11 .
351      351 '1-(3-{5-[4-(aminomethyl)phenyl]-1H-p' non-polymer        67  40 .
352      352 '(5S)-2-{[(1S)-1-(4-fluorophenyl)ethy' non-polymer        40  21 .
353      353 'N-{4-[(2-amino-3-chloropyridin-4-yl)' non-polymer        55  36 .
354      354 '"N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINA' non-polymer        55  34 .
356      356 '8-[(3R)-3-Aminopiperidin-1-yl]-7-but' non-polymer        63  35 .
357      357 '5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMI' non-polymer        52  24 .
358      358 '1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUO' non-polymer        55  33 .
359      359 '"3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-' non-polymer        88  50 .
35A      35A 'N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-' non-polymer        65  32 .
35B      35B '"4-bromo-3-(carboxymethoxy)-5-{3-[cy' non-polymer        52  31 .
35C      35C '3,5-dichlorobenzene-1,2-diol        ' non-polymer        14  10 .
35F      35F 'N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-i' non-polymer        42  28 .
35G      35G 'GUANOSINE-3',5'-MONOPHOSPHATE       ' non-polymer        34  23 .
361      361 '"(7R,8R)-8-(2,4,5-trifluorophenyl)-6' non-polymer        36  23 .
364      364 '3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIP' non-polymer        49  29 .
367      367 '"3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO' non-polymer        51  30 .
368      368 '"(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-' non-polymer        49  28 .
369      369 '5-(4-hydroxyphenoxy)-6-(3-hydroxyphe' non-polymer        45  27 .
371      371 '2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXI' non-polymer        45  28 .
373      373 '3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL' non-polymer        55  29 .
376      376 'N-[(naphthalen-1-ylamino)(oxo)acetyl' non-polymer        47  27 .
37A      37A '(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL' non-polymer        49  28 .
37D      37D 'methyl 5-furan-2-yl-3-methyl-1H-pyra' non-polymer        25  15 .
37T      37T 'THEOBROMINE                         ' non-polymer        21  13 .
37U      37U 'D-phenylalanyl-N-(3-fluorobenzyl)-L-' non-polymer        51  27 .
380      380 '(2R)-2-({4-[AMINO(IMINO)METHYL]PHENY' non-polymer        57  31 .
382      382 '(R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZ' non-polymer        55  32 .
383      383 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        51  29 .
385      385 '"(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FU' non-polymer        89  48 .
388      388 '(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]C' non-polymer        35  24 .
389      389 'L-alanyl-L-valyl-N-(2,2-diphenylethy' non-polymer        70  34 .
38M      38M '3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-' non-polymer        72  37 .
38P      38P '4-{[5-(cyclopropylcarbamoyl)-2-methy' non-polymer        56  30 .
391      391 '4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H' non-polymer        45  29 .
393      393 '(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]C' non-polymer        37  25 .
394      394 '"R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-' non-polymer        54  29 .
396      396 '4-(2-chlorophenyl)-9-hydroxy-6-methy' non-polymer        62  37 .
397      397 '2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL ' non-polymer        27  17 .
39A      39A '6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM ' non-polymer        22  12 .
39B      39B '(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDEC' non-polymer        41  21 .
39E      39E '(R)-2,4-DIAMINO-5-((7,8-DICARBAUNDEC' non-polymer        41  21 .
39P      39P '4-{[5-(isoxazol-3-ylcarbamoyl)-2-met' non-polymer        55  32 .
39Z      39Z '5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)' non-polymer        30  18 .
3A1      3A1 'N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phe' non-polymer        82  42 .
3A2      3A2 '1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)' non-polymer        86  43 .
3A3      3A3 '.                                   ' non-polymer        36  25 .
3AA      3AA '3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE' non-polymer        71  46 .
3AB      3AB '3-aminobenzamide                    ' non-polymer        18  10 .
3AC      3AC '(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-' non-polymer        37  22 .
3AD      3AD '3'-DEOXYADENOSINE                   ' non-polymer        31  18 .
3AF      3AF '2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]P' non-polymer        73  33 .
3AG      3AG '2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMI' non-polymer        37  19 .
3AH      3AH '[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-5-Y' peptide            27  17 .
3AL      3AL '1-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]U' non-polymer        17  11 .
3AM      3AM '"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl' non-polymer        35  23 .
3AN      3AN '.                                   ' non-polymer        40  27 .
3AP      3AP '3-AMINOPYRIDINE                     ' non-polymer        14   7 .
3AR      3AR 'N-OMEGA-PROPYL-L-ARGININE           ' peptide            35  15 .
3AS      3AS '(3aS,4R,9bR)-2,2-difluoro-4-(4-hydro' non-polymer        46  26 .
3AT      3AT '3'-DEOXYADENOSINE-5'-TRIPHOSPHATE   ' non-polymer        42  30 .
3AY      3AY 'PYRIMIDINE-2,4,6-TRIAMINE           ' non-polymer        16   9 .
3AZ      3AZ '3-(aminomethyl)benzoic acid         ' non-polymer        19  11 .
3B3      3B3 '(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-Y' non-polymer        33  19 .
3B4      3B4 '2-(cyclohexylamino)benzoic acid     ' non-polymer        32  16 .
3B6      3B6 '(2S)-N-(4-cyano-3-iodophenyl)-3-(4-c' non-polymer        39  25 .
3B8      3B8 '2-amino-7-fluoro-5-oxo-5H-chromeno[2' non-polymer        28  20 .
3B9      3B9 'N-[2-(2,4-diaminopyrido[2,3-d]pyrimi' non-polymer        56  32 .
3BA      3BA '7-amino-2-tert-butyl-4-{[2-(1H-imida' non-polymer        48  26 .
3BB      3BB '3-BROMOBUT-3-EN-1-OL                ' non-polymer        13   6 .
3BC      3BC '.                                   ' non-polymer       108  52 .
3BD      3BD '7-amino-2-tert-butyl-4-(4-pyrimidin-' non-polymer        55  30 .
3BE      3BE '3-bromo-N'-[(1E)-(3,5-dibromo-2,4-di' non-polymer        31  22 .
3BH      3BH '(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-' non-polymer        34  20 .
3BI      3BI '"(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4' non-polymer        71  43 .
3BK      3BK '(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dic' non-polymer        47  29 .
3BM      3BM '2-[(2-chloro-4-iodophenyl)amino]-N-{' non-polymer        40  26 .
3BN      3BN '3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYC' non-polymer        71  38 .
3BP      3BP '"2-(3-BIPHENYL-4-YL-2-ETHANESULFONYL' non-polymer        78  42 .
3BR      3BR '1-BROMOPROPANE                      ' non-polymer        11   4 .
3BS      3BS '3-chloro-4-{[(1-hydroxy-2,2,6,6-tetr' non-polymer        51  26 .
3BT      3BT '2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETH' non-polymer        36  18 .
3BZ      3BZ '3-chlorobenzoate                    ' non-polymer        14  10 .
3C3      3C3 '"4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,' non-polymer        35  20 .
3C4      3C4 '(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACI' non-polymer        18  12 .
3CA      3CA '.                                   ' non-polymer        25  18 .
3CB      3CB 'N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUC' non-polymer        77  41 .
3CC      3CC 'N-[(2R)-5-(aminosulfonyl)-2,3-dihydr' non-polymer        49  23 .
3CE      3CE '3-chlorobenzene-1,2-diol            ' non-polymer        14   9 .
3CF      3CF '3-cyano-L-phenylalanine             ' peptide            23  14 .
3CH      3CH '3-CHLOROPHENOL                      ' non-polymer        13   8 .
3CL      3CL '3-CHLOROPROPANOL                    ' non-polymer        12   5 .
3CM      3CM '3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCO' pyranose           70  32 .
3CN      3CN '3-AMINOPROPANE                      ' non-polymer        13   4 .
3CO      3CO 'COBALT (III) ION                    ' non-polymer         1   1 .
3CP      3CP '3-CARBOXYPROPYL-COENZYME A          ' non-polymer        91  54 .
3CS      3CS '"3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IO' non-polymer        79  43 .
3CU      3CU 'CASUARINE                           ' non-polymer        29  14 .
3CY      3CY '"(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA' non-polymer        77  45 .
3CZ      3CZ '(2R)-1-[(4-tert-butylphenyl)sulfonyl' non-polymer        56  29 .
3D1      3D1 '(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)' non-polymer        31  18 .
3D3      3D3 '2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETA' non-polymer        23  15 .
3DA      3DA '3'-DEOXYADENOSINE-5'-MONOPHOSPHATE  ' non-polymer        34  22 .
3DD      3DD '(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]' non-polymer        29  18 .
3DE      3DE '3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-' non-polymer        35  18 .
3DG      3DG '9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUAN' non-polymer        32  19 .
3DH      3DH '5'-S-ethyl-5'-thioadenosine         ' non-polymer        38  21 .
3DM      3DM '2,6-dimethoxyphenol                 ' non-polymer        21  11 .
3DP      3DP '3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANES' non-polymer        47  18 .
3DR      3DR '1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHA' DNA                21  12 .
3DS      3DS '(4S,5R)-4,5-dihydroxy-3-oxocyclohex-' non-polymer        19  12 .
3DT      3DT '3-methylthymidine                   ' non-polymer        34  18 .
3EA      3EA '"2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYL' non-polymer        56  34 .
3EJ      3EJ '"4-[(5-{2-[(3-fluorobenzyl)carbamoyl' non-polymer        48  32 .
3EK      3EK '"trans-4-[(3-{2-[(4-fluorobenzyl)car' non-polymer        58  33 .
3EP      3EP 'TRIETHYLPHOSPHANE                   ' non-polymer        22   7 .
3ET      3ET 'O-[(2R)-2-amino-3-(D-seryloxy)propan' non-polymer        49  29 .
3EV      3EV '(1S,3S,5Z,7E,14beta,17alpha)-9,10-se' non-polymer        74  30 .
3F1      3F1 'N-{[4-(benzyloxy)phenyl](methyl)-lam' non-polymer        48  27 .
3FA      3FA '3-FLUOROBENZENE-1,2-DIOL            ' non-polymer        14   9 .
3FC      3FC '"(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUO' non-polymer        73  41 .
3FD      3FD '4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4' non-polymer        61  38 .
3FG      3FG '(2S)-amino(3,5-dihydroxyphenyl)ethan' peptide            21  13 .
3FI      3FI '"3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tet' non-polymer        42  25 .
3FL      3FL '"3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahy' non-polymer        46  25 .
3FM      3FM '3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSID' pyranose           28  15 .
3FN      3FN '6-(2,4-difluorophenoxy)-8-methyl-2-(' non-polymer        46  28 .
3FP      3FP '(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-' non-polymer        56  33 .
3FQ      3FQ '(2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-' non-polymer        59  34 .
3FR      3FR '"3'-chloro-5'-(3-methyl-6-{[(1S)-1-p' non-polymer        59  35 .
3FT      3FT '.                                   ' non-polymer        43  29 .
3FZ      3FZ '3-formylbenzenecarboximidamide      ' non-polymer        19  11 .
3G3      3G3 '2-[2-(1H-tetrazol-5-yl)ethyl]-1H-iso' non-polymer        27  18 .
3G4      3G4 '2-(6-{[(3-chloro-2-methylphenyl)sulf' non-polymer        48  26 .
3GA      3GA '(3S)-3-[(2S)-2-amino-3-oxopropyl]pip' non-polymer        32  14 .
3GC      3GC 'GAMMA-GLUTAMYLCYSTEINE              ' non-polymer        28  16 .
3GL      3GL '(2S,4S)-2-amino-4-hydroxy-pentanedio' peptide            18  11 .
3GN      3GN '2-[(2S)-2-methylpyrrolidin-2-yl]-1H-' non-polymer        34  18 .
3GO      3GO '4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quin' non-polymer        66  40 .
3GP      3GP 'GUANOSINE-3'-MONOPHOSPHATE          ' non-polymer        36  24 .
3GR      3GR 'GLYCERALDEHYDE                      ' non-polymer        12   6 .
3GU      3GU 'N6-cyclopentyladenosine             ' non-polymer        45  24 .
3GV      3GV '(3S)-1-(2-hydroxyphenyl)-5-oxopyrrol' non-polymer        26  16 .
3H1      3H1 '3-chloro-4,6-dihydroxy-2-methyl-5-{(' non-polymer        57  28 .
3HA      3HA '3-HYDROXYANTHRANILIC ACID           ' non-polymer        17  11 .
3HB      3HB '3-HYDROXYBENZOIC ACID               ' non-polymer        15  10 .
3HC      3HC '3-HYDROXYBUTANOYL-COENZYME A        ' non-polymer        92  54 .
3HD      3HD '3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL ' non-polymer        26  12 .
3HG      3HG '3-HYDROXYPENTANEDIOIC ACID          ' non-polymer        16  10 .
3HI      3HI '"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2' non-polymer        76  42 .
3HL      3HL '(3S)-3-HYDROXYBUTANOIC ACID         ' non-polymer        14   7 .
3HM      3HM '5-hydroxy-6-methylpyridine-3-carboxy' non-polymer        17  11 .
3HP      3HP '3-HYDROXYPHENYLACETATE              ' non-polymer        18  11 .
3HT      3HT '5-[1-(4-methoxyphenyl)-1H-benzimidaz' non-polymer        35  23 .
3HX      3HX '(4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HY' non-polymer        39  18 .
3IB      3IB '3-INDOLEBUTYRIC ACID                ' non-polymer        27  15 .
3ID      3ID '3H-INDOLE-5,6-DIOL                  ' non-polymer        18  11 .
3IG      3IG 'N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDI' non-polymer        55  29 .
3IH      3IH 'N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]A' non-polymer        97  49 .
3II      3II 'N-[2-(2,4-dichlorophenyl)ethyl]-2-{8' non-polymer        77  43 .
3IL      3IL '3-(INDOL-3-YL) LACTATE              ' non-polymer        25  15 .
3IN      3IN 'N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R' non-polymer       106  51 .
3IO      3IO '3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACI' non-polymer        23  15 .
3IP      3IP '3-(BENZYLOXY)PYRIDIN-2-AMINE        ' non-polymer        27  15 .
3JZ      3JZ 'N-methyl-N-{2-[({2-[(2-oxo-2,3-dihyd' non-polymer        56  35 .
3KC      3KC '3-chloro-4-(4H-3,4,7-triazadibenzo[c' non-polymer        37  25 .
3KE      3KE '"4-{[({3-[2-(4-methoxybenzyl)-2H-tet' non-polymer        53  33 .
3KR      3KR '1-(2-methoxyethyl)-N-oxo-4-({4-[4-(t' non-polymer        58  35 .
3L1      3L1 '(2S,3R,5S)-5-(6-amino-9H-purin-9-yl)' non-polymer        31  18 .
3LA      3LA '3-OXODODECANOIC ACID                ' non-polymer        36  15 .
3LG      3LG '"(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL' non-polymer        76  42 .
3LP      3LP '1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-' non-polymer        57  25 .
3LR      3LR '3,6-dideoxy-L-arabino-hexonic acid  ' non-polymer        22  11 .
3MA      3MA '6-AMINO-3-METHYLPURINE              ' non-polymer        19  11 .
3MB      3MB '3-METHOXYBENZAMIDE                  ' non-polymer        20  11 .
3MC      3MC '3-METHYLCYTOSINE                    ' non-polymer        17   9 .
3ME      3ME '"PHOSPHORIC ACID MONO-[4-[2-(2-DIMET' non-polymer        57  29 .
3MF      3MF '3-O-METHYLFRUCTOSE IN LINEAR FORM   ' non-polymer        27  13 .
3MG      3MG '3-O-methyl-beta-D-glucopyranose     ' pyranose           27  13 .
3ML      3ML '[(2S)-3-methyl-5-oxo-2,5-dihydrofura' non-polymer        18  11 .
3MM      3MM '(1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(ME' non-polymer        29  12 .
3MN      3MN '3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-5' non-polymer        60  35 .
3MO      3MO '3-METHYL-1,3-OXAZOLIDIN-2-ONE       ' non-polymer        14   7 .
3MP      3MP '3-METHYLPYRIDINE                    ' non-polymer        14   7 .
3MQ      3MQ '(5-thiophen-2-ylisoxazol-3-yl)methan' non-polymer        19  12 .
3MR      3MR '(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-' non-polymer        79  37 .
3MS      3MS 'N-{3-[4-hydroxy-1-(3-methylbutyl)-2-' non-polymer        56  33 .
3MT      3MT '3-METHYLTHIAZOLIUM ION              ' non-polymer        12   6 .
3MY      3MY '3-chloro-D-tyrosine                 ' peptide            23  14 .
3N1      3N1 '(5-chloro-3-methyl-1-benzothiophen-2' non-polymer        23  15 .
3N2      3N2 '(5-chloro-1-benzothiophen-3-yl)aceti' non-polymer        20  14 .
3N3      3N3 '(2S)-1-[(benzyloxy)carbonyl]-2,3-dih' non-polymer        36  22 .
3N4      3N4 'naphtho[2,1-b]thiophen-1-ylacetic ac' non-polymer        26  17 .
3N5      3N5 '(2R)-1-[(benzyloxy)carbonyl]-2,3-dih' non-polymer        36  22 .
3N6      3N6 'N-{(1S)-5-amino-1-[(4-pyridin-4-ylpi' non-polymer       101  54 .
3N7      3N7 'N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)' non-polymer        44  26 .
3NA      3NA '{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZO' non-polymer        36  26 .
3NF      3NF 'N-acetyl-L-tyrosine                 ' non-polymer        28  16 .
3NH      3NH '"(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3' non-polymer        89  46 .
3NI      3NI 'NICKEL (III) ION                    ' non-polymer         1   1 .
3NM      3NM '4-methyl-5-[2-(phosphonooxy)ethyl]-1' non-polymer        23  16 .
3NP      3NP '3-NITROPROPANOIC ACID               ' non-polymer        12   8 .
3NT      3NT '3-NITROTOLUENE                      ' non-polymer        17  10 .
3NW      3NW '1-[2-(2-{[2-(dimethylamino)ethyl]ami' non-polymer        68  34 .
3OB      3OB '3-chloro-5-({6-[2-(3,4-dihydroisoqui' non-polymer        56  33 .
3OC      3OC '(1R)-3-oxocyclohexanecarboxylic acid' non-polymer        19  10 .
3OD      3OD '.                                   ' non-polymer        62  39 .
3OG      3OG '(1S)-1-[(2R)-6-oxotetrahydro-2H-pyra' non-polymer        54  22 .
3OH      3OH '3-HYDROXY-PROPANOIC ACID            ' non-polymer        11   6 .
3OL      3OL '1-OCTEN-3-OL                        ' non-polymer        25   9 .
3ON      3ON '(3R)-3-HYDROXY-8'-APOCAROTENOL      ' non-polymer        74  32 .
3P4      3P4 '5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXY' non-polymer        61  32 .
3PA      3PA '3-CYCLOPENTYL-PROPIONIC ACID        ' non-polymer        23  10 .
3PB      3PB '(3R)-3-(phosphonooxy)butanoic acid  ' non-polymer        17  11 .
3PC      3PC '(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHO' non-polymer        72  30 .
3PD      3PD '2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENT' non-polymer        35  23 .
3PE      3PE '1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHAN' non-polymer       133  51 .
3PG      3PG '3-PHOSPHOGLYCERIC ACID              ' non-polymer        15  11 .
3PH      3PH '1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE  ' non-polymer       123  48 .
3PI      3PI '"(1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDRO' non-polymer        69  39 .
3PL      3PL '3-PHENYLPROPANAL                    ' non-polymer        20  10 .
3PO      3PO 'TRIPHOSPHATE                        ' non-polymer        13  13 .
3PP      3PP '3-PHOSPHONOPROPANOIC ACID           ' non-polymer        15   9 .
3PY      3PY '3-HYDROXYPYRUVIC ACID               ' non-polymer        10   7 .
3QC      3QC '(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TET' non-polymer        48  24 .
3SA      3SA 'ACARBOSE DERIVED TRISACCHARIDE      ' non-polymer        66  33 .
3SC      3SC '5-(2,3-dichlorophenyl)-N-(pyridin-4-' non-polymer        40  28 .
3SL      3SL '(2R)-3-SULFOLACTIC ACID             ' non-polymer        15  10 .
3SP      3SP 'N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALA' non-polymer        64  32 .
3SZ      3SZ '3-{[4-(2,3-dihydro-1,4-benzodioxin-6' non-polymer        53  30 .
3TC      3TC '4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)' non-polymer        26  15 .
3TH      3TH '2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRA' non-polymer        35  23 .
3TL      3TL '"benzyl [(1S,4S,7S,8R,9R,10S,13S,16S' non-polymer       130  66 .
3TN      3TN '"(2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,' non-polymer        55  28 .
3TO      3TO '3-[2-(3-{[(furan-2-ylmethyl)(methyl)' non-polymer        47  24 .
3TP      3TP '(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHEN' non-polymer        48  26 .
3TR      3TR '3-AMINO-1,2,4-TRIAZOLE              ' non-polymer        10   6 .
3TY      3TY '3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROX' peptide            39  23 .
3UN      3UN '"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-' non-polymer        65  33 .
3XH      3XH '3-Hydroxyhippuric acid              ' non-polymer        22  14 .
3YP      3YP '3-CYCLOPENTYL-N-HYDROXYPROPANAMIDE  ' non-polymer        26  11 .
400      400 '3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENY' non-polymer        66  36 .
401      401 '"(2S)-2-{3-[({[2-fluoro-4-(trifluoro' non-polymer        50  30 .
403      403 '(2R,3R)-4-[4-(2-chlorophenyl)piperaz' non-polymer        53  29 .
406      406 '"N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4' non-polymer        73  42 .
40A      40A 'N-[(2S)-2-aminopropyl]-N-[(6-amino-9' non-polymer        38  22 .
40C      40C 'N-[(4-amino-2-oxopyrimidin-1(2H)-yl)' non-polymer        36  20 .
40G      40G 'N-[(2-amino-6-oxo-1,6-dihydro-9H-pur' non-polymer        39  23 .
40T      40T 'N-[(2S)-2-aminopropyl]-N-[(5-methyl-' non-polymer        38  21 .
410      410 '"4-bromo-3-(carboxymethoxy)-5-{3-[cy' non-polymer        57  35 .
411      411 '3-bromo-N-[4-[1-(2-carbamimidamido-2' non-polymer        56  34 .
412      412 '(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DI' non-polymer        37  19 .
413      413 '"(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-P' non-polymer        69  40 .
414      414 '"(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHY' non-polymer        66  36 .
416      416 '(2S)-7-tert-butyl-6-chloro-2-(triflu' non-polymer        35  22 .
417      417 '(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,' non-polymer        48  29 .
418      418 '"2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3' non-polymer        82  49 .
419      419 'N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl' non-polymer        80  38 .
41A      41A '5,5-dimethyl-2-morpholin-4-yl-5,6-di' non-polymer        36  18 .
420      420 'N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-' non-polymer        44  24 .
421      421 '"6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METH' non-polymer        47  28 .
422      422 '3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL' non-polymer        53  29 .
426      426 '6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYC' non-polymer        51  28 .
427      427 '(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DI' non-polymer        31  17 .
428      428 '2-(1-methylethyl)imidazo[1,2-b]pyrid' non-polymer        24  13 .
429      429 '"2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMET' non-polymer        66  37 .
42B      42B '4-AMINO-2-HYDROXYBUTANOIC ACID      ' non-polymer        16   8 .
42C      42C 'N,N-dimethyl-7H-purin-6-amine       ' non-polymer        21  12 .
42D      42D '"3,5-dideoxy-5-[(methoxycarbonyl)ami' non-polymer        40  22 .
433      433 '"2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PH' non-polymer        65  38 .
434      434 '.                                   ' non-polymer        59  41 .
437      437 '1-{(3E)-5-tert-butyl-2-[4-(hydroxyme' non-polymer        57  31 .
438      438 '.                                   ' non-polymer        78  44 .
43A      43A '(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3' non-polymer        41  25 .
43B      43B '3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-' non-polymer        78  48 .
43M      43M '4-CHLORO-3-METHYLPHENOL             ' non-polymer        16   9 .
43P      43P '4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-' non-polymer        34  20 .
440      440 '3-{[4-(but-2-yn-1-yloxy)phenyl]sulfo' non-polymer        34  18 .
442      442 '2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDRO' non-polymer        54  31 .
443      443 '1-(1-{(2S)-3-[(6-chloronaphthalen-2-' non-polymer        58  32 .
444      444 'N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2' non-polymer        43  31 .
445      445 'N-[oxo(phenylamino)acetyl]-beta-D-gl' non-polymer        41  23 .
446      446 '"4-[(4-{[6-bromo-3-(methoxycarbonyl)' non-polymer        59  37 .
447      447 'N-(4-{[6-methoxy-7-(3-morpholin-4-yl' non-polymer        69  38 .
448      448 '(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROME' non-polymer        46  29 .
44B      44B '1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-' non-polymer        30  22 .
44C      44C '.                                   ' non-polymer        62  37 .
44D      44D '7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TET' non-polymer        83  46 .
44P      44P '5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PH' non-polymer        41  25 .
44U      44U 'beta-phenyl-D-phenylalanyl-N-propyl-' non-polymer        57  28 .
451      451 'N-(6,7,9,10,17,18,20,21-octahydrodib' non-polymer        57  30 .
452      452 '2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHE' non-polymer        38  25 .
454      454 '8,8-diphenyl-2,3,4,8-tetrahydroimida' non-polymer        40  22 .
455      455 '"(3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4' non-polymer        57  36 .
458      458 '4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-ME' non-polymer        39  19 .
459      459 '4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8' non-polymer        44  20 .
45B      45B '4-{[2-({4-[2-(4-acetylpiperazin-1-yl' non-polymer        72  43 .
45C      45C '4,5-dichlorobenzene-1,2-diol        ' non-polymer        14  10 .
45P      45P '3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO' non-polymer        42  29 .
45U      45U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        55  27 .
460      460 '2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHY' non-polymer        37  22 .
462      462 'N-[amino(imino)methyl]-2-[2-(2-chlor' non-polymer        51  29 .
464      464 '3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OX' non-polymer        67  37 .
468      468 '(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-C' non-polymer        46  23 .
469      469 '2-(6-chloro-5-{[(2R,5S)-4-(4-fluorob' non-polymer        66  36 .
46C      46C '"4-[(6-chloro-1-oxo-4-phenyl-3-propa' non-polymer        51  32 .
46D      46D '"(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CAR' pyranose           49  29 .
46M      46M '"(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-' pyranose           30  17 .
46U      46U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        58  28 .
471      471 '"N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[' non-polymer        81  45 .
472      472 '(5S)-2-amino-3-methyl-5-pyridin-4-yl' non-polymer        43  26 .
474      474 '(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRRO' non-polymer        62  32 .
475      475 'N-[oxo(pyridin-2-ylamino)acetyl]-bet' non-polymer        40  23 .
478      478 '"{3-[(4-AMINO-BENZENESULFONYL)-ISOBU' non-polymer        70  35 .
47C      47C '2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDI' DNA                40  24 .
47D      47D '"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL' non-polymer        32  23 .
47X      47X '3-(3,4-dihydroxyphenyl)-7-hydroxy-4H' non-polymer        30  20 .
485      485 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        50  27 .
486      486 '"11-(4-DIMETHYLAMINO-PHENYL)-17-HYDR' non-polymer        67  32 .
48B      48B '2-chloro-N-[4-({5-fluoro-2-[(4-hydro' non-polymer        49  32 .
48D      48D '(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy' non-polymer        48  20 .
492      492 '1-(2,2'-bithiophen-5-yl)methanamine ' non-polymer        21  12 .
493      493 '"{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-Y' non-polymer        80  45 .
497      497 '6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETH' non-polymer        52  28 .
49A      49A '4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-AC' non-polymer        38  20 .
49U      49U '(S)-N-(4-carbamimidoylbenzyl)-1-(3-c' non-polymer        57  27 .
4A3      4A3 '4-AMINO-3-HYDROXYBENZOIC ACID       ' non-polymer        17  11 .
4AA      4AA '4-CHLORO-3-HYDROXYANTHRANILIC ACID  ' non-polymer        17  12 .
4AB      4AB '2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-' non-polymer        33  17 .
4AC      4AC 'N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE' RNA                38  24 .
4AD      4AD '.                                   ' non-polymer        51  31 .
4AF      4AF '4-ACETYL-L-PHENYLALANINE            ' non-polymer        27  15 .
4AH      4AH '.                                   ' non-polymer        95  50 .
4AL      4AL '[4-(aminomethyl)phenyl]methanol     ' non-polymer        21  10 .
4AM      4AM '4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAM' non-polymer        37  20 .
4AN      4AN '6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DI' non-polymer        24  16 .
4AP      4AP '4-AMINOPYRIDINE                     ' non-polymer        14   7 .
4AT      4AT '5-OXOHEXANOIC ACID                  ' non-polymer        18   9 .
4AX      4AX '(R)-4-AMINO-ISOXAZOLIDIN-3-ONE      ' non-polymer        13   7 .
4AZ      4AZ '4-(aminomethyl)benzoic acid         ' non-polymer        19  11 .
4B3      4B3 '"4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3' non-polymer        57  31 .
4BA      4BA '4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BE' non-polymer        27  16 .
4BB      4BB '"4-tert-butyl-N'-[(1E)-(3,5-dibromo-' non-polymer        43  25 .
4BC      4BC '"4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL' non-polymer        42  27 .
4BD      4BD '"5'-O-[(S)-{difluoro[(S)-hydroxy(pho' non-polymer        46  31 .
4BE      4BE '4-bromo-N'-[(1E)-(3,5-dibromo-2,4-di' non-polymer        31  22 .
4BF      4BF '4-BROMO-L-PHENYLALANINE             ' peptide            22  13 .
4BG      4BG 'N-[4-(benzyloxy)phenyl]glycinamide  ' non-polymer        35  19 .
4BH      4BH '4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRA' non-polymer        35  20 .
4BL      4BL '6-methyl-1H-indole-2-carboxylic acid' non-polymer        21  13 .
4BM      4BM 'N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,' non-polymer        40  26 .
4BO      4BO '(3S)-3-amino-4-oxo-4-[(4-phenylmetho' non-polymer        40  23 .
4BQ      4BQ '(2S)-2-amino-5-oxo-5-[(4-phenylmetho' non-polymer        43  24 .
4BR      4BR '2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE ' non-polymer        25  13 .
4BS      4BS '4-amino-N-[4-(benzyloxy)phenyl]butan' non-polymer        41  21 .
4BT      4BT '2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETH' non-polymer        36  18 .
4BU      4BU '"(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-' non-polymer        47  26 .
4BX      4BX '3-(1H-benzimidazol-2-yl)propanoic ac' non-polymer        23  14 .
4BY      4BY '5-methyl-1H-indole-2-carboxylic acid' non-polymer        21  13 .
4BZ      4BZ '4-(HYDROXYMETHYL)BENZAMIDINE        ' non-polymer        21  11 .
4C0      4C0 '3-(1H-benzimidazol-2-yl)-N-(3-phenyl' non-polymer        43  25 .
4CA      4CA '4-HYDROXYBENZYL COENZYME A          ' non-polymer        94  56 .
4CB      4CB '4-CARBOXYPHENYLBORONIC ACID         ' non-polymer        18  12 .
4CD      4CD '4-chloro-6-{[(2R)-2-(2-methylphenyl)' non-polymer        41  23 .
4CF      4CF '4-cyano-L-phenylalanine             ' peptide            23  14 .
4CL      4CL '4-CHLOROBENZENE-1,2-DIOL            ' non-polymer        14   9 .
4CM      4CM '(4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSP' non-polymer        24  13 .
4CO      4CO '4-HYDROXYPHENACYL COENZYME A        ' non-polymer        96  58 .
4CP      4CP '2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETY' non-polymer        47  27 .
4CR      4CR '(1R)-4-({[ETHYL(METHYL)AMINO]CARBONY' non-polymer        44  21 .
4CS      4CS '(4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRI' non-polymer        19  10 .
4CT      4CT '(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d' non-polymer        46  26 .
4CY      4CY 'nitrilo-L-methionine                ' peptide            17  10 .
4D7      4D7 '3-(1H-benzimidazol-2-yl)-N-[(2-methy' non-polymer        37  23 .
4D9      4D9 '3-(1H-benzimidazol-2-yl)-N-(1-benzot' non-polymer        40  26 .
4DB      4DB '"(2S)-2-amino-4-[5-(dimethylamino)-1' peptide            37  21 .
4DE      4DE '1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-' non-polymer        38  20 .
4DH      4DH '3-(1H-benzimidazol-2-yl)-N-[(1-methy' non-polymer        47  29 .
4DI      4DI '4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARB' non-polymer        28  11 .
4DM      4DM '(4aS,12aS)-3,10,11,12a-tetrahydroxy-' non-polymer        45  28 .
4DP      4DP '3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-D' peptide            34  20 .
4DX      4DX '(1S,2S)-2-methylcyclohexanol        ' non-polymer        22   8 .
4EA      4EA '(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2' non-polymer        50  28 .
4EB      4EB '"4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL' non-polymer        66  40 .
4F3      4F3 '"[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-' non-polymer        44  26 .
4FA      4FA '4-FLUOROPHENETHYL ALCOHOL           ' non-polymer        19  10 .
4FB      4FB '(4S)-4-FLUORO-L-PROLINE             ' non-polymer        16   9 .
4FC      4FC '.                                   ' non-polymer        24  16 .
4FE      4FE '(2E)-3-(3-hydroxy-4-methoxyphenyl)pr' non-polymer        23  14 .
4FI      4FI '"(2R)-2-[(2-methyl-5-phenyl-pyrazol-' non-polymer        50  30 .
4FP      4FP '4-(4-FLUOROBENZYL)PIPERIDINE        ' non-polymer        30  14 .
4FR      4FR '"3'-chloro-5'-[6-({2-methoxy-4-[(1-m' non-polymer        79  45 .
4FW      4FW '4-FLUOROTRYPTOPHANE                 ' peptide            26  16 .
4FZ      4FZ '4-formylbenzenecarboximidamide      ' non-polymer        19  11 .
4GC      4GC '"Beta-D-glucopyranosyl-(1->4)-beta-D' non-polymer        87  45 .
4GP      4GP 'N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID' non-polymer        29  17 .
4HA      4HA '4-HYDROXYBUTAN-1-AMINIUM            ' non-polymer        18   6 .
4HC      4HC '4-HYDROXY-2H-CHROMEN-2-ONE          ' non-polymer        18  12 .
4HD      4HD '(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy' non-polymer        56  25 .
4HF      4HF '"N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,' non-polymer        52  31 .
4HG      4HG 'N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL' non-polymer        27  19 .
4HI      4HI '"(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4' non-polymer        67  36 .
4HL      4HL '4-(HYDRAZINOMETHYL)PHENOL           ' non-polymer        20  10 .
4HM      4HM '4-HYDROPEROXY-2-METHOXY-PHENOL      ' non-polymer        19  11 .
4HP      4HP '4-HYDROXYPHENYLACETATE              ' non-polymer        18  11 .
4HT      4HT '4-HYDROXYTRYPTOPHAN                 ' peptide            27  16 .
4HX      4HX '(4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMI' non-polymer        46  24 .
4HY      4HY '[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DI' non-polymer        29  21 .
4IG      4IG '(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN' non-polymer        59  34 .
4IN      4IN '4-AMINO-L-TRYPTOPHAN                ' peptide            28  16 .
4IP      4IP 'INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE' non-polymer        36  28 .
4JZ      4JZ '1-[5-tert-butyl-2-(4-methylphenyl)-1' non-polymer        60  33 .
4LG      4LG '"METHYL (6-{[(2R)-1-(4-{3-[(2-METHOX' non-polymer        80  43 .
4MA      4MA '4-METHYLBENZOIC ACID                ' non-polymer        17  10 .
4MB      4MB '4-[(METHYLSULFONYL)AMINO]BENZOIC ACI' non-polymer        22  14 .
4MC      4MC '(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL' non-polymer        82  41 .
4MD      4MD 'N-(4-chlorobenzyl)-N-methylbenzene-1' non-polymer        38  23 .
4MF      4MF '1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' non-polymer        38  22 .
4ML      4ML '[(2S)-2-methyl-5-oxo-2,5-dihydrofura' non-polymer        18  11 .
4MM      4MM '(1S)-1-carboxy-N,N,N-trimethyl-3-(me' non-polymer        29  12 .
4MO      4MO 'MOLYBDENUM(IV) ION                  ' non-polymer         1   1 .
4MP      4MP '1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE' non-polymer        29  16 .
4MR      4MR '5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2' non-polymer        56  34 .
4MS      4MS 'N-({3-[(5S)-5-tert-butyl-1-(3-chloro' non-polymer        62  37 .
4MU      4MU '7-hydroxy-4-methyl-2H-chromen-2-one ' non-polymer        21  13 .
4MV      4MV '4-METHYL VALERIC ACID               ' non-polymer        19   8 .
4MZ      4MZ '4-METHYLIMIDAZOLE                   ' non-polymer        12   6 .
4NA      4NA '1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHT' non-polymer        30  19 .
4NB      4NB '4-NITROBENZOIC ACID                 ' non-polymer        16  12 .
4NC      4NC '4-NITROCATECHOL                     ' non-polymer        16  11 .
4ND      4ND 'N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUAN' non-polymer        35  20 .
4NH      4NH '4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL' non-polymer        50  27 .
4NI      4NI '4-nitrobutanoic acid                ' non-polymer        15   9 .
4NL      4NL '4-AMINOPHENOL                       ' non-polymer        15   8 .
4NM      4NM '4-NITROPHENYL METHANETHIOL          ' non-polymer        19  11 .
4NP      4NP '4-NITROPHENYL PHOSPHATE             ' non-polymer        18  14 .
4NS      4NS '4-nitrophenyl sulfate               ' non-polymer        19  14 .
4OA      4OA '(3beta,5beta,14beta,17alpha)-3-hydro' non-polymer        66  27 .
4OC      4OC '4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHA' RNA                39  23 .
4OX      4OX '4-OXODECANEDIOIC ACID               ' non-polymer        29  15 .
4P5      4P5 '4H-furo[3,2-b]pyrrole-5-carboxylic a' non-polymer        15  11 .
4PA      4PA 'PROPYL ACETATE                      ' non-polymer        17   7 .
4PB      4PB 'N-HYDROXY-4-PHOSPHONO-BUTANAMIDE    ' non-polymer        19  11 .
4PC      4PC '"3-(2'-DEOXY-5-O-PHOSPHONO-BETA-D-ER' DNA                37  23 .
4PD      4PD '"3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                37  23 .
4PE      4PE '"3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                37  23 .
4PG      4PG '1-[4-(2-oxo-2-phenylethyl)phenyl]gua' non-polymer        34  19 .
4PH      4PH '4-methyl-L-phenylalanine            ' peptide            25  13 .
4PI      4PI 'N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDI' non-polymer        45  22 .
4PN      4PN '4-PIPERIDINO-PIPERIDINE             ' non-polymer        32  12 .
4PO      4PO 'alpha-(4-pyridyl-1-oxide)-N-tert-but' non-polymer        28  14 .
4PP      4PP '.                                   ' non-polymer        52  29 .
4PR      4PR '(3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)' non-polymer        80  39 .
4PS      4PS '.                                   ' non-polymer        47  26 .
4PT      4PT '"(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DI' non-polymer        72  43 .
4PY      4PY '(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYR' non-polymer        49  29 .
4PZ      4PZ '4-methyl-1H-pyrazole                ' non-polymer        12   6 .
4QB      4QB '"3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMI' non-polymer        67  37 .
4QC      4QC '"3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIP' non-polymer        65  39 .
4R8      4R8 '(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,1' non-polymer        56  25 .
4RB      4RB '"4-(6-{[(1R)-1-(hydroxymethyl)propyl' non-polymer        41  24 .
4SC      4SC '.                                   ' non-polymer        37  20 .
4SM      4SM 'TETRATHIOMOLYBDATE                  ' non-polymer         5   5 .
4SP      4SP '.                                   ' non-polymer        50  28 .
4ST      4ST '1,2,3,4-TETRAHYDROGEN-STAUROSPORINE ' non-polymer        65  35 .
4SU      4SU '4-THIOURIDINE-5'-MONOPHOSPHATE      ' RNA                32  21 .
4TA      4TA 'P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THY' non-polymer        76  51 .
4TB      4TB '4-(2-THIENYL)BUTYRIC ACID           ' non-polymer        20  11 .
4TC      4TC '.                                   ' non-polymer        78  51 .
4TN      4TN '"(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAME' non-polymer        58  29 .
4TP      4TP '4-HYDROXY-L-THREONINE-5-MONOPHOSPHAT' non-polymer        20  13 .
4TR      4TR '"2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,' non-polymer        40  27 .
4TZ      4TZ '4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL' non-polymer        40  26 .
4UB      4UB '3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[' non-polymer        31  20 .
4UN      4UN '{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL' non-polymer        53  32 .
4VQ      4VQ '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        49  29 .
501      501 'N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL' non-polymer        45  24 .
505      505 '(2R)-1-(2,6-dimethylphenoxy)propan-2' non-polymer        30  13 .
507      507 '1-{3-[6-(tetrahydro-2H-pyran-4-ylami' non-polymer        45  25 .
509      509 '4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLT' non-polymer        27  20 .
50U      50U '(S)-N-(4-carbamimidoylbenzyl)-1-(3-c' non-polymer        60  28 .
50X      50X '(2R,3R)-4-[(2R)-2-(3-chlorophenyl)py' non-polymer        67  41 .
512      512 '4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-' non-polymer        17  14 .
514      514 '(3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-D' non-polymer        31  20 .
515      515 '"3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARB' non-polymer        87  53 .
516      516 'N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-na' non-polymer        72  36 .
517      517 '1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)E' non-polymer        35  21 .
518      518 'N-[4-(5-{[(1S)-1-cyclohexyl-2-(methy' non-polymer        66  37 .
51P      51P '2-[(Z)-2-(2,4-diaminofuro[2,3-d]pyri' non-polymer        35  21 .
51U      51U 'D-phenylalanyl-N-(3-methylbenzyl)-L-' non-polymer        54  27 .
521      521 '5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,' non-polymer        29  20 .
523      523 '.                                   ' non-polymer        44  29 .
524      524 '(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRR' non-polymer        62  31 .
527      527 '"5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-' non-polymer        60  37 .
528      528 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(' non-polymer        65  33 .
529      529 '(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZO' non-polymer        44  25 .
52A      52A '(2R,4R)-4-aminopyrrolidine-2,4-dicar' non-polymer        20  12 .
52B      52B '(2S)-6,8-dichloro-2-(trifluoromethyl' non-polymer        23  19 .
52D      52D 'pyridin-4-yl[4-(2-pyrrolidin-1-yleth' non-polymer        42  22 .
52H      52H '5'-O-{[(2R)-2-hydroxy-3,3-dimethylbu' non-polymer        55  31 .
52P      52P '5-(2,6-dichlorophenyl)-2-[(2,4-diflu' non-polymer        37  28 .
52V      52V '"5-[(3S)-3-(5-methoxy-2',6'-dimethyl' non-polymer        55  29 .
530      530 '6-(2,4-difluorophenoxy)-N-(tetrahydr' non-polymer        40  25 .
533      533 '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        46  30 .
535      535 'ethyl 3-methyl-5,6-dihydroimidazo[2,' non-polymer        24  14 .
537      537 '2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-O' non-polymer        25  17 .
538      538 '.                                   ' non-polymer        70  39 .
53A      53A '"ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2' non-polymer        48  28 .
53H      53H '5'-O-[(3-methyl-D-valyl)sulfamoyl]ad' non-polymer        56  31 .
53N      53N '3-[5-(3-nitrophenyl)thiophen-2-yl]pr' non-polymer        29  19 .
53R      53R '5-[(3R)-3-(5-methoxybiphenyl-3-yl)bu' non-polymer        49  27 .
53S      53S '"5-[(3R)-3-(5-methoxy-4'-methylbiphe' non-polymer        52  28 .
53T      53T '"5-[(3R)-3-(5-methoxy-3',5'-dimethyl' non-polymer        55  29 .
53U      53U 'D-phenylalanyl-N-benzyl-L-prolinamid' non-polymer        51  26 .
53V      53V '"5-[(3R)-3-(5-methoxy-2',6'-dimethyl' non-polymer        55  29 .
541      541 '(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4' non-polymer        59  32 .
542      542 'N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydrox' non-polymer        64  39 .
544      544 '"2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAM' non-polymer        67  38 .
545      545 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        66  33 .
547      547 '2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHY' non-polymer        56  30 .
54D      54D 'methyl thiophene-2-carboxylate      ' non-polymer        15   9 .
54H      54H '5'-O-(D-valylsulfamoyl)adenosine    ' non-polymer        53  30 .
550      550 '"methyl (1R,2S)-2-(hydroxycarbamoyl)' non-polymer        55  31 .
552      552 '(6S)-1-chloro-3-[(4-fluorobenzyl)oxy' non-polymer        44  27 .
553      553 '(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-' non-polymer        34  20 .
555      555 '4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE' non-polymer        33  20 .
55E      55E '4-(4-hydroxy-3-methylphenyl)-6-pheny' non-polymer        35  21 .
55F      55F 'N-[4-(5-fluoro-6-methylpyridin-2-yl)' non-polymer        42  27 .
55V      55V '6-methyl-5-[3-methyl-3-(3,4,5-trimet' non-polymer        50  26 .
561      561 '"6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLA' non-polymer        57  34 .
564      564 '"6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETR' non-polymer        54  29 .
565      565 '(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLU' non-polymer        44  24 .
566      566 '(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRR' non-polymer        43  21 .
567      567 '"2-[[(2R)-1-[[(2S)-5-amino-1-[(4-car' non-polymer        71  41 .
568      568 'N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-' non-polymer        85  45 .
569      569 '(5R)-2-amino-5-(4-fluoro-3-pyrimidin' non-polymer        47  32 .
570      570 '"2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(' non-polymer        70  41 .
571      571 '"5-[(2R)-2-hydroxy-2-phenylacetyl]-3' non-polymer        61  34 .
572      572 '4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-' non-polymer        39  20 .
575      575 '(4Z)-6-bromo-4-({[4-(pyrrolidin-1-yl' non-polymer        47  27 .
576      576 '(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPE' non-polymer        38  21 .
578      578 '"(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL' non-polymer        57  31 .
57D      57D 'chrysin                             ' non-polymer        29  19 .
580      580 '3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDI' non-polymer        38  22 .
582      582 '5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRA' non-polymer        30  17 .
585      585 '6-({5-fluoro-2-[(3,4,5-trimethoxyphe' non-polymer        57  34 .
586      586 '"N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PR' non-polymer       111  60 .
587      587 'C32-O-(1-METHYL-INDOL-5-YL) 18-HYDRO' non-polymer       143  67 .
588      588 '"2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METH' non-polymer        71  41 .
58Z      58Z '1-[2-(1H-indol-5-yloxy)ethyl]piperid' non-polymer        40  21 .
593      593 '(5S)-2-amino-3-methyl-5-phenyl-5-[(3' non-polymer        49  24 .
595      595 'N-[(1S,5S)-5-{[(4-aminophenyl)sulfon' non-polymer        92  46 .
598      598 '"6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-Y' non-polymer        59  37 .
599      599 '2-[3-{4-chloro-3-[(4-chlorophenyl)et' non-polymer        68  38 .
59A      59A 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        37  19 .
59R      59R '6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl' non-polymer        53  26 .
59W      59W '6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl' non-polymer        53  26 .
5AA      5AA 'N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MO' non-polymer        42  25 .
5AC      5AC '5-amino-1H-imidazole-4-carboxamide  ' non-polymer        15   9 .
5AD      5AD '5'-DEOXYADENOSINE                   ' non-polymer        31  18 .
5AF      5AF '2,5-BIS{[4-(3-PENTYL)DIAMINOMETHYL]P' non-polymer        73  33 .
5AH      5AH '"METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3' non-polymer        98  51 .
5AL      5AL '5'-O-[(R)-{[(2S)-2-aminopropanoyl]ox' non-polymer        46  28 .
5AM      5AM '"BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY' non-polymer        84  42 .
5AN      5AN '3,5-DIFLUOROANILINE                 ' non-polymer        14   9 .
5AP      5AP '5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENY' non-polymer        45  27 .
5AS      5AS '5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE   ' non-polymer        43  25 .
5AT      5AT '5'-AMINO-5'-DEOXYTHYMIDINE          ' non-polymer        32  17 .
5AX      5AX '2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-' non-polymer        29  14 .
5AZ      5AZ '6-amino-1,3,5-triazin-2(1H)-one     ' non-polymer        12   8 .
5B1      5B1 '5-bromo-1H-indazol-3-amine          ' non-polymer        17  11 .
5B2      5B2 '5-phenyl-1H-indazol-3-amine         ' non-polymer        27  16 .
5B3      5B3 '4-(3-amino-1H-indazol-5-yl)-N-tert-b' non-polymer        44  24 .
5BD      5BD '"N,N'-(9,10-dioxo-9,10-dihydroanthra' non-polymer        54  30 .
5BM      5BM '(2Z)-bis{amino[(2-aminophenyl)sulfan' non-polymer        42  26 .
5BN      5BN '5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(' non-polymer        38  23 .
5BP      5BP 'N-cyclopropyl-4-pyrazolo[1,5-b]pyrid' non-polymer        31  19 .
5BR      5BR '1-BROMOPENTANE                      ' non-polymer        17   6 .
5BU      5BU '5-BROMO-URIDINE-5'-MONOPHOSPHATE    ' RNA                32  22 .
5CA      5CA '5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADEN' non-polymer        48  29 .
5CB      5CB 'N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMET' non-polymer        55  32 .
5CD      5CD '5'-CHLORO-5'-DEOXYADENOSINE         ' non-polymer        31  19 .
5CF      5CF '.                                   ' RNA                33  22 .
5CG      5CG '5'-CHLORO-5'-DEOXY-GUANOSINE        ' non-polymer        32  20 .
5CH      5CH '5-chloro-6'-methyl-3-[4-(methylsulfo' non-polymer        39  24 .
5CL      5CL '1,2,3,4,5-PENTACHLOROBENZENE        ' non-polymer        12  11 .
5CM      5CM '5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPH' DNA                35  21 .
5CN      5CN '"5-CYANO-FURAN-2-CARBOXYLIC ACID [5-' non-polymer        46  25 .
5CP      5CP '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        47  27 .
5CS      5CS '2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDI' peptide            30  17 .
5CY      5CY 'N,N'-(dipropyl)-tetramethylindodicar' non-polymer        74  35 .
5DE      5DE '1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PY' non-polymer        36  19 .
5DP      5DP '5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2' non-polymer        91  45 .
5DS      5DS '(R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3' non-polymer        25  14 .
5EA      5EA '5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOP' non-polymer        50  31 .
5EE      5EE '5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-T' non-polymer        35  25 .
5F1      5F1 '5'-FLUORO-2',5'-DIDEOXYADENOSINE    ' non-polymer        30  18 .
5FA      5FA 'ADENOSINE-5'-PENTAPHOSPHATE         ' non-polymer        51  39 .
5FB      5FB '4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidi' non-polymer        42  29 .
5FC      5FC '5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPH' DNA                34  22 .
5FD      5FD '5'-FLUORO-5'-DEOXYADENOSINE         ' non-polymer        33  19 .
5FE      5FE '"5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5' non-polymer        96  49 .
5FH      5FH '(5S)-5-benzylimidazolidine-2,4-dione' non-polymer        24  14 .
5FN      5FN '(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDRO' non-polymer        27  15 .
5FP      5FP '"5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5' non-polymer        92  48 .
5FR      5FR '4-({1-[3-(3-amino-3-oxopropyl)-5-chl' non-polymer        75  41 .
5FU      5FU '5-FLUORO-URIDINE-5'-MONOPHOSPHATE   ' non-polymer        32  22 .
5GP      5GP 'GUANOSINE-5'-MONOPHOSPHATE          ' non-polymer        36  24 .
5H1      5H1 '1H-indol-5-ol                       ' non-polymer        17  10 .
5HA      5HA '"N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLA' non-polymer        79  41 .
5H       5H  '5R-(4-BROMOPHENYLMETHYL)-3-(BENZENES' non-polymer        38  25 .
5HD      5HD '5-(2-hydroxyethyl)nonane-1,9-diol   ' non-polymer        38  14 .
5HE      5HE '(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicos' non-polymer        52  23 .
5HG      5HG '{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]ME' non-polymer        30  18 .
5HI      5HI '"(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(' non-polymer        71  38 .
5HT      5HT '5-HYDROXY-THYMIDINE                 ' non-polymer        34  18 .
5HU      5HU '5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-M' DNA                35  22 .
5I5      5I5 '7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-I' non-polymer        32  19 .
5IC      5IC '5-IODO-CYTIDINE-5'-MONOPHOSPHATE    ' RNA                33  22 .
5ID      5ID '(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-P' non-polymer        33  20 .
5IG      5IG '6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL' non-polymer        55  28 .
5IN      5IN 'N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[' non-polymer        73  40 .
5IP      5IP '"(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOH' non-polymer        39  32 .
5IQ      5IQ 'ISOQUINOLIN-5-AMINE                 ' non-polymer        19  11 .
5IU      5IU '5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPH' DNA                31  21 .
5JZ      5JZ 'N~2~-{4-[6-(3,4-dihydroquinolin-1(2H' non-polymer        87  49 .
5LK      5LK '4-{(6R,7R)-7-amino-3-[3-(4-methylpip' non-polymer        56  30 .
5MB      5MB '5-METHYLBENZIMIDAZOLE               ' non-polymer        18  10 .
5MC      5MC '5-METHYLCYTIDINE-5'-MONOPHOSPHATE   ' RNA                36  22 .
5MD      5MD '5-METHYL-2'-DEOXYPSEUDOURIDINE      ' non-polymer        31  17 .
5MP      5MP '5-METHYLPYRROLE                     ' non-polymer        13   6 .
5MR      5MR 'NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)P' non-polymer        69  40 .
5MS      5MS 'N-{2-methyl-5-[(6-phenylpyrimidin-4-' non-polymer        43  25 .
5MU      5MU '.                                   ' RNA                35  22 .
5MY      5MY 'MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHO' non-polymer        39  32 .
5NA      5NA '2-hydroxy-5-methyl naphthoic acid   ' non-polymer        24  15 .
5NC      5NC '5-AZA-CYTIDINE-5'MONOPHOSPHATE      ' DNA                31  20 .
5NH      5NH '.                                   ' non-polymer       111  53 .
5NI      5NI '5-NITROINDAZOLE                     ' non-polymer        17  12 .
5NS      5NS '5-aminonaphthalene-1-sulfonic acid  ' non-polymer        24  15 .
5OB      5OB '5-METHOXYBENZIMIDAZOLE              ' non-polymer        19  11 .
5OH      5OH '"(2S)-amino[(4R,6S)-2-amino-6-hydrox' peptide            24  13 .
5OP      5OP '(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA' non-polymer        54  25 .
5PA      5PA '"N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer        36  22 .
5PC      5PC '5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MO' DNA                37  23 .
5PG      5PG '(2S)-(4-hydroxyphenyl)(methylamino)e' M-peptide          23  13 .
5PH      5PH '"5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLC' non-polymer        62  36 .
5PI      5PI 'N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTO' non-polymer        82  43 .
5PM      5PM '4,4'-sulfanediylbis{N-[(1E)-pyridin-' non-polymer        47  29 .
5PP      5PP '5-PENTYL-2-PHENOXYPHENOL            ' non-polymer        39  19 .
5PV      5PV '5-PHENYLVALERIC ACID                ' non-polymer        26  13 .
5PY      5PY '"1-(2'-DEOXY-5'-O-PHOSPHONO-BETA-D-E' DNA                33  20 .
5QC      5QC '"1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6' non-polymer        70  43 .
5R1      5R1 '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        50  30 .
5RM      5RM '(5R)-5-(4-methoxy-3-propoxyphenyl)-5' non-polymer        38  19 .
5RP      5RP 'RIBULOSE-5-PHOSPHATE                ' non-polymer        23  14 .
5SC      5SC '"3-((3-bromo-5-o-tolylpyrazolo[1,5-a' non-polymer        42  26 .
5SD      5SD '5ALPHA-ANDROSTAN-3,17-DIONE         ' non-polymer        49  21 .
5SE      5SE '.                                   ' DNA                36  22 .
5SP      5SP '5-O-phosphono-D-xylulose            ' non-polymer        23  14 .
5TN      5TN '"(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAM' non-polymer        61  30 .
5UA      5UA '5'-O-CARBOXY-2'-DEOXYADENOSINE      ' non-polymer        34  21 .
5UD      5UD '5-FLUOROURIDINE                     ' non-polymer        29  18 .
5WA      5WA '(1R)-3-(2,4-diamino-6-methylpyrimidi' non-polymer        45  25 .
5WB      5WB '5-[(3S)-3-methoxy-3-(3,4,5-trimethox' non-polymer        48  26 .
5X       5X  '5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BEN' non-polymer        45  27 .
5YL      5YL '5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMI' non-polymer        53  27 .
5Z5      5Z5 '5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3' non-polymer        39  23 .
5ZA      5ZA '"(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPR' non-polymer        44  26 .
600      600 '"6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL' non-polymer       100  58 .
605      605 '4'-[(1R)-1-amino-2-(2,5-difluorophen' non-polymer        44  26 .
606      606 '"(2S)-2-(3-{[AMINO(IMINO)METHYL]AMIN' non-polymer        50  27 .
607      607 '"2-(2'-AMINO-5-{5-[AMINO(IMINIO)METH' non-polymer        53  34 .
608      608 'N-(4-phenoxyphenyl)-2-[(pyridin-4-yl' non-polymer        50  30 .
609      609 '7-oxo-7H-benzimidazo[2,1-a]benz[de]i' non-polymer        33  24 .
612      612 '6-(cyclohexylsulfanyl)-1-(ethoxymeth' non-polymer        48  22 .
614      614 '7-[(4-methylpiperazin-1-yl)methyl]-4' non-polymer        63  32 .
615      615 '(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenyl' non-polymer        60  35 .
616      616 'N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4' non-polymer        60  27 .
617      617 '2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BE' non-polymer        32  21 .
618      618 '(3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHY' non-polymer        67  35 .
619      619 'N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylam' non-polymer        67  40 .
61E      61E '4-(2-chlorophenyl)-8-[3-(dimethylami' non-polymer        58  34 .
61X      61X '4-{3-[3-(methylsulfonyl)phenoxy]phen' non-polymer        47  31 .
623      623 '"3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYR' non-polymer        47  29 .
624      624 '2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROP' non-polymer        66  38 .
625      625 '4-(4-{1-[(6-aminopyridin-2-yl)methyl' non-polymer        55  32 .
626      626 '4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-T' non-polymer        56  32 .
627      627 'N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLAC' non-polymer        61  35 .
628      628 '4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1' non-polymer        44  30 .
629      629 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        53  29 .
62A      62A '2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMI' non-polymer        60  34 .
62P      62P '6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2' non-polymer        30  21 .
632      632 '2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-' non-polymer        64  36 .
635      635 '"1-methylethyl 8-fluoro-1,1-dimethyl' non-polymer        79  41 .
63C      63C '"(3R,4R)-1-METHYLCARBAMOYLMETHYL-PYR' non-polymer        62  37 .
63G      63G '(6S)-3-(2-deoxy-5-O-phosphono-beta-D' non-polymer        43  27 .
63H      63H '(6R)-3-(2-deoxy-5-O-phosphono-beta-D' non-polymer        43  27 .
641      641 '(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHE' non-polymer        43  23 .
642      642 '"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylqui' non-polymer        58  35 .
643      643 '"6-(4-{[3-(3,5-dichloropyridin-4-yl)' non-polymer        62  38 .
645      645 '[1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)' non-polymer        50  31 .
646      646 '2,6-dichloro-4-(2-piperazin-1-ylpyri' non-polymer        56  32 .
64P      64P '5-aminothymidine 5'-(dihydrogen phos' non-polymer        38  22 .
64T      64T '5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE' DNA                37  22 .
64U      64U '3-cyclohexyl-D-alanyl-N-(3-chloroben' non-polymer        57  27 .
653      653 '"5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO' non-polymer        50  28 .
654      654 '4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-' non-polymer        32  18 .
655      655 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        45  25 .
656      656 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        44  24 .
65B      65B '4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENY' non-polymer        43  28 .
663      663 '3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPY' non-polymer        53  35 .
665      665 '(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-' non-polymer        43  22 .
666      666 '6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHE' non-polymer        54  30 .
667      667 '6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOH' non-polymer        36  21 .
669      669 '1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROB' non-polymer        49  30 .
672      672 '(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-' non-polymer       103  49 .
675      675 '6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-' non-polymer        37  22 .
677      677 '(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-' non-polymer        43  27 .
678      678 '(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL' non-polymer        37  24 .
679      679 '"2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5' non-polymer        34  25 .
680      680 '6-METHYLAMINO-5-NITROISOCYTOSINE    ' non-polymer        20  13 .
681      681 '2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMID' non-polymer        63  33 .
682      682 'N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO' non-polymer        53  26 .
685      685 '2-{2-[(3,5-dimethylphenyl)amino]pyri' non-polymer        51  28 .
687      687 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        75  43 .
688      688 '"2-[AMINO(IMINO)METHYL]-2-HYDROXYPHE' non-polymer        48  32 .
689      689 '4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,' non-polymer        45  21 .
692      692 'N-methyl-1-(2-thiophen-2-ylphenyl)me' non-polymer        27  14 .
693      693 '"2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BE' non-polymer        51  34 .
694      694 '4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDR' non-polymer        28  21 .
696      696 '3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        42  25 .
697      697 '5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZ' non-polymer        28  19 .
698      698 '"(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-' non-polymer        60  32 .
699      699 '"(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)' non-polymer        52  32 .
6A5      6A5 'Sa-(+)-(6-(aminomethyl)-5-(2,4-dichl' non-polymer        47  28 .
6AN      6AN '6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENE' non-polymer        34  21 .
6AP      6AP '9H-PURINE-2,6-DIAMINE               ' non-polymer        17  11 .
6AU      6AU '.                                   ' non-polymer        37  24 .
6AZ      6AZ '.                                   ' non-polymer        34  24 .
6BD      6BD '(2S)-3-[(9H-fluoren-9-ylideneamino)o' non-polymer        35  21 .
6C3      6C3 '6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4' non-polymer        37  24 .
6CA      6CA '.                                   ' non-polymer        68  39 .
6CL      6CL '6-CARBOXYLYSINE                     ' peptide            26  13 .
6CM      6CM 'N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-' non-polymer        75  28 .
6CN      6CN '.                                   ' non-polymer        33  23 .
6CP      6CP '.                                   ' non-polymer        45  25 .
6CS      6CS '(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-T' non-polymer        20  11 .
6CW      6CW '6-CHLORO-L-TRYPTOPHAN               ' peptide            26  16 .
6DE      6DE '1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-P' non-polymer        34  19 .
6EA      6EA '(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PY' non-polymer        51  30 .
6FA      6FA '6-HYDROXY-FLAVIN-ADENINE DINUCLEOTID' non-polymer        85  54 .
6GO      6GO '6-O-methylguanine                   ' non-polymer        19  12 .
6GP      6GP 'METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAM' non-polymer        33  18 .
6GU      6GU '6-chloroguanine                     ' non-polymer        15  11 .
6HA      6HA '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADEN' DNA                37  23 .
6HC      6HC '"1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYT' DNA                35  21 .
6HE      6HE '6-METHY-6-DEPROPIONATEHEMIN         ' non-polymer        68  39 .
6HG      6HG '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUAN' DNA                38  24 .
6HI      6HI '"(3R,5R)-7-{2-[(4-fluorobenzyl)carba' non-polymer        67  37 .
6HN      6HN '6-nitro-L-norleucine                ' peptide            23  12 .
6HT      6HT '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYM' DNA                37  22 .
6IA      6IA 'N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOS' RNA                50  28 .
6IG      6IG '6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3' non-polymer        68  33 .
6IN      6IN '4-(1-BENZYL-3-CARBAMOYLMETHYL-2-METH' non-polymer        51  28 .
6IP      6IP '6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-' non-polymer        33  18 .
6JZ      6JZ '3,6,9,12,15-pentaoxaheptadecane     ' non-polymer        43  17 .
6MA      6MA 'N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHO' DNA                37  23 .
6MI      6MI '6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)IS' non-polymer        40  26 .
6MN      6MN '2-amino-2-deoxy-6-O-phosphono-alpha-' non-polymer        28  16 .
6MO      6MO 'MOLYBDENUM(VI) ION                  ' non-polymer         1   1 .
6MP      6MP '6-METHYLPURINE                      ' non-polymer        16  10 .
6MR      6MR 'N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D' non-polymer        49  31 .
6MZ      6MZ 'N6-METHYLADENOSINE-5'-MONOPHOSPHATE ' non-polymer        38  24 .
6NA      6NA 'HEXANOIC ACID                       ' non-polymer        19   8 .
6NH      6NH '2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-Y' non-polymer        38  24 .
6NI      6NI '6-NITROINDAZOLE                     ' non-polymer        17  12 .
6NP      6NP '6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAP' non-polymer        62  35 .
6OB      6OB '(8E,10S,12Z)-10-hydroxy-6-oxooctadec' non-polymer        51  22 .
6OC      6OC '(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-' non-polymer        51  22 .
6OG      6OG '.                                   ' DNA                38  24 .
6PC      6PC 'PYRIDINE-2-CARBOXYLIC ACID          ' non-polymer        13   9 .
6PE      6PE '1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOE' non-polymer        60  27 .
6PG      6PG '6-PHOSPHOGLUCONIC ACID              ' non-polymer        27  17 .
6PH      6PH '(1R)-2-(phosphonooxy)-1-[(tridecanoy' non-polymer        99  40 .
6PL      6PL '"(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9' non-polymer       136  52 .
6PR      6PR '(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACET' non-polymer        26  16 .
6SA      6SA 'ACARBOSE DERIVED HEXASACCHARIDE     ' non-polymer       129  66 .
6SC      6SC '3-bromo-5-phenyl-N-(pyridin-4-ylmeth' non-polymer        38  24 .
6UL      6UL 'TETRACOSYL PALMITATE                ' non-polymer       122  42 .
6WO      6WO 'OXO-TUNGSTEN(VI)                    ' non-polymer         2   2 .
6X1      6X1 '2-{[(3,5-dichlorophenyl)carbamoyl]am' non-polymer        30  21 .
700      700 '[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYL' non-polymer        49  30 .
701      701 '(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-' non-polymer        53  29 .
703      703 '5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NIT' non-polymer        51  31 .
705      705 'N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydrox' non-polymer        70  41 .
706      706 'N-(3,3-dimethyl-2,3-dihydro-1H-indol' non-polymer        51  28 .
708      708 '"3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6' non-polymer        64  39 .
709      709 'N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-' non-polymer        41  24 .
70U      70U '5-(O-METHYLACETO)-2-THIO-2-DEOXY-URI' RNA                41  26 .
710      710 '(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-I' non-polymer        57  32 .
711      711 '7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-' non-polymer        65  34 .
712      712 '"3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]A' non-polymer        70  38 .
714      714 '1-(2,2-diphosphonoethyl)-3-(octyloxy' non-polymer        53  25 .
715      715 '(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,' non-polymer        43  28 .
716      716 '2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACE' non-polymer        61  34 .
717      717 'imidazo[2,1-b][1,3]thiazol-6-ylmetha' non-polymer        16  10 .
719      719 'N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydrox' non-polymer        68  41 .
720      720 '(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZO' non-polymer        37  17 .
721      721 '3-butoxy-1-(2,2-diphosphonoethyl)pyr' non-polymer        41  21 .
722      722 '1-(2,2-diphosphonoethyl)-3-(heptylox' non-polymer        50  24 .
723      723 '(6-chloro-2-oxo-4-phenyl-1,2-dihydro' non-polymer        33  22 .
724      724 '(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro' non-polymer        35  21 .
72X      72X '(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hy' non-polymer        81  35 .
730      730 '(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERI' non-polymer        74  39 .
732      732 '5-(4-chlorophenyl)-N-[(1S)-1-cyclohe' non-polymer        49  26 .
735      735 '"2-METHYL-2-(4-{[({4-METHYL-2-[4-(TR' non-polymer        53  33 .
736      736 '(11S)-8-CHLORO-11-[1-(METHYLSULFONYL' non-polymer        61  32 .
737      737 'N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONY' non-polymer        78  45 .
738      738 'N-(3-cyano-4,5,6,7-tetrahydro-1-benz' non-polymer        34  21 .
739      739 '"2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]P' non-polymer        72  34 .
73Q      73Q '6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-' non-polymer        28  18 .
73V      73V '"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)' non-polymer        69  34 .
740      740 'N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL' non-polymer        59  32 .
741      741 '4-[[3-chloro-4-(1-methylimidazol-2-y' non-polymer        67  38 .
742      742 '(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMET' non-polymer        63  25 .
744      744 '(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-C' non-polymer        46  23 .
745      745 'TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTH' non-polymer        40  22 .
746      746 '4-tert-butyl-N-[2-methyl-3-(4-methyl' non-polymer        80  43 .
749      749 '"[(6E,11E)-2,6,12,16-TETRAMETHYLHEPT' non-polymer        63  29 .
74A      74A '"N'-{(1S,2S)-1-(3,5-difluorobenzyl)-' non-polymer        87  45 .
74M      74M '"METHYL N-({(2S,3S)-3-[(PROPYLAMINO)' non-polymer        59  28 .
750      750 '"5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURA' non-polymer        99  52 .
754      754 '"(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetr' non-polymer        64  29 .
757      757 '.                                   ' non-polymer       105  62 .
75V      75V 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        47  24 .
760      760 '9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETR' non-polymer        42  22 .
761      761 '3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBO' non-polymer        26  19 .
762      762 '"3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO' non-polymer        41  26 .
768      768 '(2R)-1-(2,4-dichlorophenoxy)-3-[(2E)' non-polymer        59  31 .
76A      76A '"3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HY' non-polymer        62  35 .
76V      76V 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        56  27 .
770      770 'N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,' non-polymer        40  28 .
771      771 '4-(4-BENZYLOXY-2-METHANESULFONYLAMIN' non-polymer        58  32 .
772      772 '2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOS' non-polymer        22  17 .
773      773 'CETHROMYCIN                         ' non-polymer       114  55 .
778      778 '4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPE' non-polymer        49  29 .
77A      77A '1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2' non-polymer        48  26 .
77B      77B '"BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)' non-polymer        73  38 .
77Z      77Z '2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2' non-polymer        60  34 .
780      780 '3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        41  25 .
783      783 '3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        46  27 .
784      784 '"[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIO' non-polymer        61  29 .
785      785 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        35  24 .
787      787 '(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC' non-polymer        25  15 .
789      789 '3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL' non-polymer        28  19 .
78A      78A 'N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL' non-polymer        59  31 .
78P      78P '(2R)-2-(7-carbamoyl-1H-benzimidazol-' non-polymer        34  18 .
790      790 '1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHY' non-polymer        25  15 .
791      791 '2-PHENYLMALONIC ACID                ' non-polymer        19  13 .
792      792 'N-{[4-(but-2-yn-1-yloxy)phenyl]sulfo' non-polymer        51  30 .
793      793 '3-{[(1R)-1-phenylethyl]amino}-4-(pyr' non-polymer        37  22 .
794      794 '2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMIN' non-polymer        36  25 .
796      796 'N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZY' non-polymer        47  28 .
797      797 '3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[' non-polymer        32  21 .
798      798 '{4-[(2R)-pyrrolidin-2-ylmethoxy]phen' non-polymer        47  26 .
79Z      79Z '5-cyclopropyl-2-(4-fluorophenyl)-6-[' non-polymer        54  31 .
7A8      7A8 '(1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-E' non-polymer        27  10 .
7AC      7AC '7-(aminomethyl)-6-(2-chlorophenyl)-1' non-polymer        34  21 .
7AD      7AD '9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]A' non-polymer        46  24 .
7AP      7AP '(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)' non-polymer        29  17 .
7BD      7BD '3-[(9H-fluoren-9-ylideneamino)oxy]pr' non-polymer        32  20 .
7C1      7C1 '4-(4-methyl-1,3-dioxo-1,3-dihydro-2H' non-polymer        34  21 .
7CA      7CA '"5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8' non-polymer        69  37 .
7CK      7CK '7-carboxy-5-hydroxy-12,13-dihydro-6H' non-polymer        39  27 .
7CL      7CL '1-chloropentane                     ' non-polymer        17   6 .
7CP      7CP '"(4R)-7,8-dichloro-1',9-dimethyl-1-o' non-polymer        43  25 .
7CS      7CS '"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.' non-polymer        40  21 .
7DA      7DA '7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHO' DNA                35  22 .
7DE      7DE '3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PY' non-polymer        36  21 .
7DG      7DG '7-DEAZAGUANINE                      ' non-polymer        17  11 .
7GP      7GP 'ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMA' non-polymer        36  19 .
7GU      7GU '7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHO' DNA                36  23 .
7HA      7HA 'N-(3-{[2-(4-chlorophenyl)-5-methyl-1' non-polymer        51  31 .
7HE      7HE '7-METHYL-7-DEPROPIONATEHEMIN        ' non-polymer        68  39 .
7HI      7HI '"(3R,5R)-7-[3-(biphenyl-4-ylcarbamoy' non-polymer        75  38 .
7HP      7HP '7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE ' non-polymer        14  10 .
7I2      7I2 '7-NITROINDAZOLE-2-CARBOXAMIDINE     ' non-polymer        22  15 .
7IG      7IG '5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHEN' non-polymer        45  26 .
7IN      7IN 'N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)' non-polymer        60  33 .
7IP      7IP '6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]' non-polymer        43  23 .
7JA      7JA 'N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-' non-polymer        51  23 .
7JZ      7JZ '2-deoxy-2,2-difluoro-beta-D-lyxo-hex' pyranose           23  13 .
7MG      7MG '7N-METHYL-8-HYDROGUANOSINE-5'-MONOPH' RNA                41  25 .
7MP      7MP '7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(' non-polymer        51  33 .
7MR      7MR '(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDRO' non-polymer        42  27 .
7NA      7NA '2-hydroxy-7-methoxy-5-methyl naphtho' non-polymer        28  17 .
7NH      7NH '[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYR' non-polymer        45  27 .
7NI      7NI '7-NITROINDAZOLE                     ' non-polymer        17  12 .
7PA      7PA 'PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)' non-polymer        21  11 .
7PC      7PC '2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-' non-polymer        38  23 .
7PE      7PE '2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY' non-polymer        51  21 .
7PG      7PG '2,5,8,11,14,17,20,23-OCTAOXAPENTACOS' non-polymer        62  26 .
7PH      7PH '(1R)-2-(dodecanoyloxy)-1-[(phosphono' non-polymer        93  38 .
7PY      7PY '7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPH' non-polymer        47  28 .
7RA      7RA '7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURIN' non-polymer        35  23 .
7RP      7RP '7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PH' non-polymer        33  22 .
7T9      7T9 'N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3' non-polymer        42  23 .
7X1      7X1 'N-(5-chloro-1,3-benzodioxol-4-yl)-6-' non-polymer        60  33 .
7X2      7X2 '.                                   ' non-polymer        49  30 .
7X3      7X3 '"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3' non-polymer        49  29 .
7X4      7X4 '3-({4-[(5-chloro-1,3-benzodioxol-4-y' non-polymer        42  28 .
7X5      7X5 '"N'-(5-chloro-1,3-benzodioxol-4-yl)-' non-polymer        43  28 .
7X6      7X6 'N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-' non-polymer        45  29 .
7X7      7X7 '"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-' non-polymer        50  30 .
7X8      7X8 '3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-Y' non-polymer        41  27 .
7XY      7XY '"{(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENY' non-polymer        65  39 .
7Z5      7Z5 '5-[methyl(pyridin-3-ylmethyl)amino]-' non-polymer        41  23 .
801      801 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        30  19 .
802      802 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        31  20 .
803      803 'LOVASTATIN                          ' non-polymer        65  29 .
806      806 '7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-' non-polymer        68  37 .
809      809 '4-(2-chlorophenyl)-8-(2-hydroxyethyl' non-polymer        40  25 .
80A      80A '(R)-pyridin-4-yl[4-(2-pyrrolidin-1-y' non-polymer        44  22 .
80G      80G '1-(4-thiophen-2-ylphenyl)methanamine' non-polymer        24  13 .
812      812 'N-benzyl-4-[(2R)-pyrrolidin-2-ylmeth' non-polymer        43  21 .
815      815 '"THIENO[3,2-B]PYRIDINE-2-SULFONIC AC' non-polymer        50  31 .
817      817 '1-{[N-(1-IMINO-GUANIDINO-METHYL)]SUL' non-polymer        29  18 .
818      818 '18-HYDROXYASCOMYCIN                 ' non-polymer       126  57 .
819      819 '"ethyl (4-{3-[2,4-dihydroxy-5-(1-met' non-polymer        54  30 .
81A      81A '"2-METHANESULFONYL-BENZENESULFONIC A' non-polymer        57  32 .
821      821 '.                                   ' non-polymer        74  42 .
822      822 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        77  43 .
824      824 '9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARB' non-polymer        37  25 .
825      825 '"[{2-bromo-4-[(2R)-3-oxo-2,3-dipheny' non-polymer        48  30 .
826      826 '1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL' non-polymer        52  30 .
829      829 '5'-deoxy-5'-[(pyridin-4-ylcarbonyl)a' non-polymer        42  25 .
82A      82A '(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2' non-polymer        48  31 .
82X      82X '"3-(6-{[3-(2,6-dichlorophenyl)-5-(1-' non-polymer        56  36 .
830      830 'dipotassium (2-oxo-2-{[3-(3-phenoxyp' non-polymer        44  26 .
831      831 'N-[3-(3-{4-[(dimethylamino)methyl]ph' non-polymer        62  38 .
839      839 '"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3' non-polymer        45  30 .
83H      83H '"8-ethyl-3,10,10-trimethyl-4,5,6,8,1' non-polymer        50  26 .
840      840 'Platensimycin A1                    ' non-polymer        57  33 .
843      843 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        73  41 .
846      846 '[4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCL' non-polymer        79  43 .
847      847 '2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BEN' non-polymer        41  28 .
848      848 '2-(pyridin-3-ylmethoxy)aniline      ' non-polymer        27  15 .
851      851 'N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2' non-polymer        72  36 .
852      852 '"2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4' non-polymer        78  46 .
853      853 '"5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YL' non-polymer        76  43 .
855      855 '2-(6-methylpyridin-2-yl)-N-pyridin-4' non-polymer        39  24 .
857      857 '4-({2-[(4-chloro-3-{[(2S)-1-methylpy' non-polymer        62  36 .
858      858 'C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN ' non-polymer       145  67 .
859      859 '2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMI' non-polymer        39  24 .
85A      85A '18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMET' non-polymer        56  34 .
864      864 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        59  31 .
866      866 '5-amino-N-[(2S)-2-({[(2,6-dichloroph' non-polymer        58  37 .
869      869 '"(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-' non-polymer        57  31 .
86A      86A '"(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}' non-polymer        61  33 .
870      870 'N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-B' non-polymer        45  30 .
872      872 '(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLU' non-polymer        47  28 .
876      876 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        79  44 .
877      877 'N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2' non-polymer        46  27 .
878      878 '5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID' non-polymer        20  16 .
879      879 '6-({2-(2-chlorophenyl)-5-[4-(pyrimid' non-polymer        53  33 .
87Y      87Y '7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL' non-polymer        42  23 .
880      880 'CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL' non-polymer        69  35 .
882      882 '"(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-' non-polymer        75  42 .
885      885 '1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)' non-polymer        34  20 .
886      886 'N-({4'-[(4-isobutyrylphenoxy)methyl]' non-polymer        66  36 .
887      887 'N-cyclopropyl-6-[(6,7-dimethoxyquino' non-polymer        53  31 .
888      888 '3-(1,1-dioxido-4H-1,2,4-benzothiadia' non-polymer        50  29 .
889      889 'N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDI' non-polymer        57  26 .
88X      88X '5-ethyl-2-(phenylcarbonyl)imidazo[1,' non-polymer        33  20 .
88Z      88Z '"N-(3-fluoro-4-{[6-methoxy-7-(3-morp' non-polymer        80  46 .
891      891 '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        47  29 .
892      892 '"3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2' non-polymer        54  36 .
893      893 '5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ET' non-polymer        44  25 .
894      894 '2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1' non-polymer        52  28 .
895      895 '2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1' non-polymer        50  28 .
896      896 'N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S' non-polymer        55  26 .
897      897 'N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-' non-polymer        71  33 .
89I      89I '5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MO' non-polymer        54  30 .
8AC      8AC '8-aminooctanoic acid                ' non-polymer        27  11 .
8AD      8AD '9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)AC' non-polymer        49  25 .
8AG      8AG '.                                   ' non-polymer        66  41 .
8AN      8AN '.                                   ' non-polymer        36  23 .
8AP      8AP 'N~3~-BENZYLPYRIDINE-2,3-DIAMINE     ' non-polymer        28  15 .
8BD      8BD '3-({[(1Z)-(2-methoxyphenyl)methylide' non-polymer        28  16 .
8BR      8BR '8-BROMO-ADENOSINE-5'-MONOPHOSPHATE  ' non-polymer        35  24 .
8C5      8C5 '8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(' non-polymer        70  36 .
8CA      8CA '9-benzyl-2,3,4,9-tetrahydro-1H-carba' non-polymer        41  23 .
8CL      8CL 'chlorobenzene                       ' non-polymer        12   7 .
8CM      8CM '8-HYDROXYCOUMARIN                   ' non-polymer        18  12 .
8CS      8CS '.                                   ' non-polymer        34  23 .
8DA      8DA '8-OXODEOXYADENOSINE                 ' non-polymer        34  19 .
8DG      8DG '8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPH' non-polymer        44  32 .
8DR      8DR '"(S)-2-(3-(benzo[c][1,2,5]thiadiazol' non-polymer        50  32 .
8DX      8DX '"(2R,3aR,6S,7aR)-2-[(2S)-2-amino-3-h' non-polymer        34  19 .
8EP      8EP '"(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-' non-polymer        35  20 .
8FG      8FG 'N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)' DNA                63  40 .
8GP      8GP '.                                   ' non-polymer        38  20 .
8GT      8GT '8-OXO-GUANOSINE-5'-TRIPHOSPHATE     ' non-polymer        45  33 .
8H1      8H1 '2-(5-{[(2S)-2-amino-3-phenylpropyl]o' non-polymer        63  36 .
8HG      8HG '2'-DEOXY-8-OXOGUANOSINE             ' non-polymer        33  20 .
8HI      8HI '"(3R,5R)-7-{3-(4-fluorophenyl)-1-(1-' non-polymer        80  45 .
8I1      8I1 '2-(5-{[(2R)-2-amino-3-phenylpropyl]o' non-polymer        63  36 .
8ID      8ID 'NICOTINAMIDE-8-IODO-ADENINE-DINUCLEO' non-polymer        70  45 .
8IG      8IG '8-IODO-GUANINE                      ' non-polymer        16  12 .
8IN      8IN '"[3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME' non-polymer        54  29 .
8IP      8IP 'N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-' non-polymer        37  21 .
8JZ      8JZ 'butyl acetate                       ' non-polymer        20   8 .
8MG      8MG '8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPH' DNA                38  24 .
8MO      8MO 'METHOXSALEN                         ' non-polymer        24  16 .
8MR      8MR '(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENY' non-polymer        30  19 .
8NC      8NC '"(3R,4R)-1-METHANESULFONYL-PYRROLIDI' non-polymer        62  38 .
8NH      8NH '2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-D' non-polymer        33  21 .
8NX      8NX '8-nitro-3,7-dihydro-1H-purine-2,6-di' non-polymer        17  14 .
8OG      8OG '8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOS' DNA                36  24 .
8PA      8PA '3-[(4-amino-2-methylpyrimidin-5-yl)m' non-polymer        59  36 .
8PC      8PC '2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2' non-polymer        36  23 .
8PE      8PE '"(2R)-3-{[(S)-(2-aminoethoxy)(hydrox' non-polymer       120  47 .
8PG      8PG '(8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z' non-polymer        55  24 .
8PP      8PP '2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,1' non-polymer       117  47 .
8PS      8PS '5-OCTYL-2-PHENOXYPHENOL             ' non-polymer        48  22 .
8ST      8ST 'N-(4-chlorophenyl)-2-[(pyridin-4-ylm' non-polymer        40  24 .
8TX      8TX '8-thioxo-3,7,8,9-tetrahydro-1H-purin' non-polymer        16  12 .
900      900 'N-(4-chlorophenyl)-6-[(6,7-dimethoxy' non-polymer        56  35 .
901      901 '"2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOX' non-polymer        84  47 .
902      902 '"{[5-(3-{[1-(BENZYLSULFONYL)PIPERIDI' non-polymer        63  39 .
903      903 '"2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4' non-polymer        82  48 .
905      905 '(R)-4-[2-(3-AMINO-BENZENESULFONYLAMI' non-polymer        66  38 .
907      907 '2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        35  21 .
910      910 '"5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3' non-polymer        42  28 .
914      914 '"[(2R,5R)-5-(6-aminopurin-9-yl)-4-fl' non-polymer        40  30 .
915      915 '(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SU' non-polymer        42  23 .
91U      91U 'N-acetyl-3-cyclohexyl-D-alanyl-N-(3-' non-polymer        62  30 .
922      922 '"(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHY' non-polymer        59  33 .
925      925 '3-[7-[(3-hydroxyphenyl)amino]pyrazol' non-polymer        69  37 .
928      928 '5-amino-1-(4-chlorophenyl)-1H-pyrazo' non-polymer        22  15 .
929      929 '.                                   ' non-polymer       113  60 .
92G      92G '4-(2-amino-1,3-thiazol-4-yl)phenol  ' non-polymer        21  13 .
92M      92M '9-cyclopentyl-2-(4-(4-hydroxypiperid' non-polymer        68  34 .
935      935 '(E)-1-(6-{4-[3-(4-methylpiperazin-1-' non-polymer        54  29 .
936      936 '5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHE' non-polymer        42  26 .
93A      93A '"[3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2' non-polymer        36  25 .
93N      93N '6-{4-[3-(4-methylpiperazin-1-yl)prop' non-polymer        52  29 .
941      941 '"2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-' non-polymer        77  43 .
94M      94M '6-chloro-9-[(4-methoxy-3,5-dimethylp' non-polymer        37  22 .
950      950 '2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-' non-polymer        44  25 .
951      951 '2-[(2E)-2-{[5-(2-chlorophenyl)furan-' non-polymer        36  24 .
956      956 '1-methyl-2-oxo-4-[4-(thiophen-2-ylca' non-polymer        45  27 .
957      957 'N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-' non-polymer        63  31 .
959      959 'benzyl (2-oxopropyl)carbamate       ' non-polymer        28  15 .
95A      95A 'TMC-95A                             ' non-polymer        91  49 .
961      961 '"3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TE' non-polymer        54  29 .
964      964 '"3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ET' non-polymer        57  31 .
965      965 '"[3-(3-{[2-chloro-3-(trifluoromethyl' non-polymer        71  41 .
968      968 '2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALY' non-polymer        37  26 .
972      972 '2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-' non-polymer        44  25 .
973      973 '(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-' non-polymer        38  25 .
974      974 '"1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDR' non-polymer        67  41 .
976      976 '(2S)-2-(6-chloro-2-methyl-4-phenylqu' non-polymer        44  25 .
977      977 '2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-' non-polymer        23  15 .
979      979 '5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHY' non-polymer        55  30 .
97B      97B '9-chloro-7-(2,6-difluorophenyl)-N-{4' non-polymer        65  40 .
982      982 '3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRID' non-polymer        22  17 .
983      983 '"(5S,9R,10R,12S)-12-[3-(AMINOMETHYL)' non-polymer        83  44 .
984      984 'CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENY' non-polymer        63  33 .
985      985 '(2E)-3-{3-[6-(4-methyl-1,4-diazepan-' non-polymer        46  25 .
988      988 '8-(3-nitrophenyl)-6-(pyridin-4-ylmet' non-polymer        41  26 .
989      989 '"2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAM' non-polymer        68  39 .
991      991 '2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-' non-polymer        46  26 .
993      993 '"3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-' non-polymer        55  36 .
994      994 '4-(2-anilinopyridin-3-yl)-N-(3,4,5-t' non-polymer        54  32 .
995      995 '"4-METHYL-PENTANOIC ACID {1-[4-GUANI' non-polymer        66  30 .
997      997 '"1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PR' non-polymer        81  39 .
998      998 'N-METHYLALANYL-3-METHYLVALYL-N-(1,2,' non-polymer        70  32 .
9AC      9AC '9-ACRIDINECARBONYL                  ' non-polymer        25  16 .
9AD      9AD '9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)AC' non-polymer        43  23 .
9AM      9AM '9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL' non-polymer        37  20 .
9AP      9AP '9-AMINOPHENANTHRENE                 ' non-polymer        26  15 .
9AR      9AR '9-HYDROXY ARISTOLOCHIC ACID         ' non-polymer        36  26 .
9BD      9BD '2-(1H-imidazol-1-yl)-9-methoxy-8-(2-' non-polymer        46  27 .
9CA      9CA '9H-CARBAZOLE                        ' non-polymer        22  13 .
9CL      9CL '(chloromethyl)benzene               ' non-polymer        15   8 .
9CS      9CS '"(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-' non-polymer        70  33 .
9D9      9D9 '(1,1-difluoropentyl)phosphonic acid ' non-polymer        22  11 .
9DA      9DA '9-DEAZAADENINE                      ' non-polymer        16  10 .
9DG      9DG '9-DEAZAGUANINE                      ' non-polymer        17  11 .
9DI      9DI '9-DEAZAINOSINE                      ' non-polymer        32  19 .
9DN      9DN 'DANSYL-L-ASPARAGINE                 ' non-polymer        43  25 .
9DS      9DS 'DANSYL-L-SARCOSINE                  ' non-polymer        39  22 .
9DX      9DX '"(2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-h' non-polymer        34  19 .
9GP      9GP 'N-(hydroxyacetyl)-beta-D-glucopyrano' non-polymer        31  16 .
9HI      9HI '"(3R,5R)-7-{3-[(4-carbamoylphenyl)su' non-polymer        80  46 .
9HO      9HO '(9S,10E,12Z)-9-hydroxyoctadeca-10,12' non-polymer        52  21 .
9HP      9HP '9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLI' non-polymer        33  21 .
9HX      9HX '9-DEAZAHYPOXANTHINE                 ' non-polymer        15  10 .
9IN      9IN 'N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((' non-polymer        94  45 .
9IP      9IP 'N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZY' non-polymer        41  23 .
9JZ      9JZ '(3S)-1-{(2S)-2-cyclohexyl-2-[(N-meth' non-polymer        75  37 .
9MG      9MG '9-METHYLGUANINE                     ' non-polymer        19  12 .
9MR      9MR '(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHY' non-polymer        44  21 .
9NE      9NE 'DANSYL-L-GLUTAMATE                  ' non-polymer        44  26 .
9NF      9NF 'DANSYL-L-PHENYLALANINE              ' non-polymer        49  28 .
9NH      9NH 'N-[5-({[2-fluoro-3-(trifluoromethyl)' non-polymer        74  45 .
9NR      9NR 'DANSYL-L-ARGININE                   ' non-polymer        52  28 .
9NV      9NV 'DANSYL-L-NORVALINE                  ' non-polymer        45  24 .
9OD      9OD '(2Z)-9-oxodec-2-enoic acid          ' non-polymer        28  13 .
9OH      9OH '(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-' non-polymer        53  22 .
9PE      9PE '"(1R)-2-{[(S)-(2-aminoethoxy)(hydrox' non-polymer        99  40 .
9PP      9PP '2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHO' non-polymer        33  20 .
9RA      9RA '"4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8' non-polymer        53  26 .
9TA      9TA '1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ET' non-polymer        24  16 .
A00      A00 'N-[(5S)-5-{[(4-aminophenyl)sulfonyl]' non-polymer        88  44 .
A02      A02 '.                                   ' non-polymer       137  67 .
A03      A03 '(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-' non-polymer       126  63 .
A04      A04 '5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUR' non-polymer        25  19 .
A05      A05 '5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ' non-polymer        23  18 .
A07      A07 'N-(6-chloro-5-phenyl-1H-indazol-3-yl' non-polymer        38  22 .
A0A      A0A '(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTA' non-polymer        17  11 .
A0H      A0H 'N-(3-{3-chloro-8-[(4-morpholin-4-ylp' non-polymer        60  35 .
A11      A11 'ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO' non-polymer        37  19 .
A12      A12 'PHOSPHOMETHYLPHOSPHONIC ACID ADENOSY' non-polymer        44  27 .
A13      A13 '4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDI' non-polymer        18  12 .
A14      A14 '"(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CA' non-polymer        44  24 .
A15      A15 '3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE' non-polymer        44  30 .
A16      A16 '"4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5' non-polymer        68  33 .
A17      A17 'N-cyclopropyl-4-methyl-3-[1-(2-methy' non-polymer        53  30 .
A18      A18 '5-(2-CHLOROBENZYL)-2-FUROIC ACID    ' non-polymer        24  16 .
A19      A19 '5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL' non-polymer        29  21 .
A1A      A1A '6-AMINO HEXANOIC ACID               ' non-polymer        83  43 .
A1E      A1E '(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRID' non-polymer        81  37 .
A1P      A1P '"9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSP' non-polymer        35  21 .
A1R      A1R '"5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DI' non-polymer        57  35 .
A1T      A1T '"5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARB' non-polymer        97  48 .
A21      A21 '(5S)-2-{[(1S)-1-(2-fluorophenyl)ethy' non-polymer        33  21 .
A22      A22 '"[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        72  49 .
A23      A23 '.                                   ' RNA                36  26 .
A24      A24 '(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAM' non-polymer        59  32 .
A25      A25 '18-CHLORO-11,12,13,14-TETRAHYDRO-1H,' non-polymer        41  24 .
A26      A26 '2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETH' non-polymer        30  19 .
A27      A27 'N-[6-(4-hydroxyphenyl)-5-phenyl-1H-i' non-polymer        49  28 .
A28      A28 'N-(6,7-difluoro-5-phenyl-1H-indazol-' non-polymer        38  23 .
A29      A29 '2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC A' non-polymer        17  12 .
A2C      A2C '"3,3'-[ethane-1,2-diylbis(nitrilomet' non-polymer        46  26 .
A2D      A2D '"BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PU' non-polymer        69  45 .
A2E      A2E '(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRID' non-polymer        81  37 .
A2F      A2F '2-fluoroadenine                     ' non-polymer        15  11 .
A2G      A2G 'N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE  ' non-polymer        30  15 .
A2L      A2L '.                                   ' RNA                45  27 .
A2M      A2M '2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHA' RNA                38  24 .
A2P      A2P 'ADENOSINE-2'-5'-DIPHOSPHATE         ' non-polymer        38  27 .
A2R      A2R '"[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        60  40 .
A2T      A2T 'N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-' non-polymer        88  40 .
A31      A31 '"N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohex' non-polymer       135  59 .
A32      A32 '(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLA' non-polymer        62  33 .
A33      A33 '2-(carboxymethyl)-D-aspartic acid   ' non-polymer        19  13 .
A37      A37 '2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXA' non-polymer        29  22 .
A38      A38 '.                                   ' non-polymer        35  23 .
A3A      A3A '2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-' non-polymer        34  22 .
A3B      A3B 'D-VINYLGLYCINE                      ' non-polymer        14   7 .
A3D      A3D '3-ACETYLPYRIDINE ADENINE DINUCLEOTID' non-polymer        71  44 .
A3F      A3F '3-[6-amino-5-(3,4,5-trimethoxyphenyl' non-polymer        46  26 .
A3M      A3M '2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-B' non-polymer        30  12 .
A3P      A3P 'ADENOSINE-3'-5'-DIPHOSPHATE         ' non-polymer        38  27 .
A3S      A3S 'SERINE-3'-AMINOADENOSINE            ' non-polymer        44  25 .
A40      A40 '.                                   ' non-polymer        39  24 .
A41      A41 '5-METHYL-2-[(PHENYLSULFONYL)AMINO]BE' non-polymer        32  20 .
A42      A42 '1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(' non-polymer        35  23 .
A43      A43 '.                                   ' non-polymer        35  22 .
A44      A44 '.                                   ' non-polymer        45  27 .
A45      A45 '3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO' non-polymer        27  20 .
A46      A46 '5-chloro-N-{4-[(1R)-1,2-dihydroxyeth' non-polymer        38  23 .
A47      A47 '.                                   ' non-polymer        38  24 .
A48      A48 '4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROE' non-polymer        61  32 .
A49      A49 'N-{1-[(1-carbamoylcyclopropyl)methyl' non-polymer        62  32 .
A4C      A4C '"9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-' non-polymer       102  52 .
A4D      A4D '5'-thioadenosine                    ' non-polymer        32  19 .
A4L      A4L '9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AM' non-polymer       138  65 .
A4P      A4P '6-(ADENOSINE TETRAPHOSPHATE-METHYL)-' non-polymer        68  48 .
A51      A51 '(3E)-3-[(phenylamino)methylidene]dih' non-polymer        25  14 .
A53      A53 '5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-' non-polymer        61  36 .
A55      A55 'N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYD' non-polymer        37  23 .
A56      A56 '6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZIN' non-polymer        29  19 .
A58      A58 '"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]ME' non-polymer        56  30 .
A5A      A5A ''5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOS' non-polymer        47  28 .
A5D      A5D '(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-' non-polymer        46  27 .
A5L      A5L '9-(2-deoxy-2-fluoro-5-O-phosphono-be' DNA                34  23 .
A5M      A5M '2'-AMINE-CYTIDINE-5'-MONOPHOSPHATE  ' RNA                34  21 .
A5O      A5O '.                                   ' RNA                35  23 .
A5P      A5P 'ARABINOSE-5-PHOSPHATE               ' non-polymer        25  14 .
A5T      A5T '(1R,5S)-7-{4-[3-(2-chloro-3,6-difluo' non-polymer        75  43 .
A66      A66 '2-AMINOETHYLLYSINE-CARBONYLMETHYLENE' non-polymer        49  26 .
A67      A67 'N~2~-{8-oxo-8-[4-(9H-purin-6-yl)pipe' non-polymer       189  92 .
A6B      A6B '(3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-' non-polymer        79  35 .
A6D      A6D '(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-' non-polymer        48  30 .
A6P      A6P '6-O-phosphono-alpha-D-allopyranose  ' non-polymer        27  16 .
A6T      A6T '(1S,5R)-7-{4-[3-(2-chloro-3,6-difluo' non-polymer        75  43 .
A70      A70 'N-ethyl-N-[(4-methylpiperazin-1-yl)c' non-polymer       123  53 .
A71      A71 '(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATI' non-polymer        37  12 .
A72      A72 'TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLA' non-polymer        53  17 .
A74      A74 '2,5-DICHLORO-N-[5-METHOXY-7-(6-METHO' non-polymer        46  31 .
A75      A75 '2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TE' non-polymer        39  23 .
A76      A76 'N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-' non-polymer       116  58 .
A77      A77 'N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-' non-polymer       116  58 .
A78      A78 'N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-' non-polymer       117  57 .
A79      A79 'N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-' non-polymer       116  58 .
A7D      A7D '5'-S-[(3R)-3,4-dihydroxybutyl]-5'-th' non-polymer        46  25 .
A7T      A7T '(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-d' non-polymer        82  43 .
A80      A80 'N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-N' non-polymer        48  26 .
A83      A83 '"TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZY' non-polymer        99  51 .
A84      A84 '"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-' non-polymer        54  30 .
A85      A85 'N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDRO' non-polymer       116  60 .
A88      A88 '(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXY' non-polymer        80  43 .
A8B      A8B 'N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYD' non-polymer        70  34 .
A8D      A8D '5-methoxy-N-(methylsulfonyl)-1H-indo' non-polymer        29  18 .
A8M      A8M '5'-[(3-aminopropyl)(methyl)amino]-5'' non-polymer        50  25 .
A8N      A8N 'N-9-(1',2',3',4'-TETRAHYDROACRIDINYL' non-polymer        57  24 .
A8S      A8S '"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-tri' non-polymer        38  19 .
A91      A91 '3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-' non-polymer        39  24 .
A92      A92 '2-{2-fluoro-4-[(2S)-piperidin-2-yl]p' non-polymer        44  25 .
A93      A93 '4-fluorophenyl 3-[(E)-2-(4-hydroxy-3' non-polymer        46  27 .
A94      A94 'N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)M' non-polymer        46  27 .
A96      A96 '6-chloro-N-pyrimidin-5-yl-3-{[3-(tri' non-polymer        41  30 .
A9A      A9A '1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VA' non-polymer       144  72 .
A9D      A9D '(2S)-2-amino-2-carboxyethyl 1-carbox' peptide            44  24 .
AA1      AA1 '[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO' non-polymer        28  15 .
AA2      AA2 '4-ARYL-2-PHENYLAMINO PYRIMIDINE     ' non-polymer        62  32 .
AA4      AA4 '2-AMINO-5-HYDROXYPENTANOIC ACID     ' peptide            19   9 .
AA5      AA5 'N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDRO' non-polymer        40  24 .
AA6      AA6 '"3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHY' M-peptide          33  18 .
AA7      AA7 'N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-' non-polymer        77  37 .
AA9      AA9 'N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMI' non-polymer        93  46 .
AAA      AAA '(2-ACETYL-5-METHYLANILINO)(2,6-DIBRO' non-polymer        39  23 .
AAB      AAB '2-DEOXY-5-PHOSPHORIBOSE GROUP       ' furanose           22  13 .
AAC      AAC 'ACETYLAMINO-ACETIC ACID             ' non-polymer        14   8 .
AAD      AAD '(2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN' non-polymer        46  24 .
AAE      AAE 'ACETOACETIC ACID                    ' non-polymer        12   7 .
AAF      AAF '"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(A' non-polymer        58  29 .
AAG      AAG 'N-ALPHA-L-ACETYL-ARGININE           ' non-polymer        30  15 .
AAH      AAH '.                                   ' non-polymer        41  23 .
AAI      AAI 'trans-4-(7-carbamoyl-1H-benzimidazol' non-polymer        43  21 .
AAL      AAL '3,6-ANHYDRO-L-GALACTOSE             ' pyranose           21  11 .
AAM      AAM 'ALPHA-ADENOSINE MONOPHOSPHATE       ' non-polymer        35  23 .
AAN      AAN '2-(4-NITROPHENYL)ACETIC ACID        ' non-polymer        19  13 .
AAO      AAO 'ACARBOSE DERIVED HEXASACCHARIDE     ' non-polymer       129  66 .
AAP      AAP 'ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-' non-polymer        39  23 .
AAQ      AAQ '6-amino-4-[2-(benzylamino)ethyl]-2-(' non-polymer        48  27 .
AAR      AAR 'ARGININEAMIDE                       ' non-polymer        28  12 .
AAS      AAS '3-ACTOXYMERCURI-4-AMINOBENZENESULFON' non-polymer        26  16 .
AAT      AAT 'S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE ' non-polymer        58  29 .
AAU      AAU '(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4' non-polymer        86  47 .
AAX      AAX 'N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-' non-polymer        58  34 .
AAY      AAY '"8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXY' non-polymer        93  44 .
AAZ      AAZ 'N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL' non-polymer        52  31 .
AB0      AB0 '"3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,' non-polymer        47  24 .
AB1      AB1 'N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENO' non-polymer        94  46 .
AB2      AB2 '"[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{I' non-polymer        88  47 .
AB3      AB3 '3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[' non-polymer        38  21 .
AB4      AB4 '2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDRO' non-polymer        45  30 .
AB5      AB5 '2(S)-AMINO-6-BORONOHEXANOIC ACID    ' non-polymer        28  13 .
AB6      AB6 '(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-5-A' non-polymer        80  36 .
AB8      AB8 '"(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDR' non-polymer        91  43 .
AB9      AB9 '(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-5-A' non-polymer        78  35 .
ABA      ABA 'ALPHA-AMINOBUTYRIC ACID             ' peptide            15   7 .
ABB      ABB '(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIM' non-polymer        57  31 .
ABC      ABC 'MODIFIED ACARBOSE HEXASACCHARIDE    ' non-polymer       127  64 .
ABD      ABD 'ACARBOSE DERIVED HEXASACCHARIDE     ' non-polymer       129  66 .
ABE      ABE 'ABEQUOSE                            ' pyranose           22  10 .
ABF      ABF 'BETA-D-ARABINOFURANOSE-5'-PHOSPHATE ' non-polymer        23  14 .
ABG      ABG '.                                   ' non-polymer        48  31 .
ABH      ABH '2(S)-AMINO-6-BORONOHEXANOIC ACID    ' non-polymer        27  13 .
ABI      ABI '5-AMIDINO-BENZIMIDAZOLE             ' non-polymer        21  12 .
ABJ      ABJ '3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRA' non-polymer        35  20 .
ABL      ABL '6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-' non-polymer        46  23 .
ABM      ABM 'METHYL PHOSPHONIC ACID ADENOSINE EST' non-polymer        39  23 .
ABN      ABN 'BENZYLAMINE                         ' non-polymer        17   8 .
ABO      ABO '4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZ' non-polymer        43  27 .
ABP      ABP '8-BROMOADENOSINE-5'-DIPHOSPHATE     ' non-polymer        39  28 .
ABR      ABR '(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DE' DNA                51  31 .
ABS      ABS '(S)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DE' DNA                51  31 .
ABT      ABT '.                                   ' non-polymer        45  31 .
ABU      ABU 'GAMMA-AMINO-BUTANOIC ACID           ' non-polymer        15   7 .
ABV      ABV '1,3-benzothiazol-2-amine            ' non-polymer        16  10 .
ABW      ABW '"5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2' non-polymer        43  21 .
ABX      ABX '5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-' non-polymer        44  21 .
ABY      ABY 'N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZ' non-polymer        50  26 .
ABZ      ABZ '4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YL' non-polymer        41  27 .
AC0      AC0 '1-PHENYLETHANONE                    ' non-polymer        17   9 .
AC1      AC1 '6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDRO' non-polymer        45  22 .
AC2      AC2 '9-HYROXYETHOXYMETHYLGUANINE         ' non-polymer        27  16 .
AC5      AC5 '1-AMINOCYCLOPENTANECARBOXYLIC ACID  ' non-polymer        19   9 .
AC6      AC6 'P-HYDROXYACETOPHENONE               ' non-polymer        18  10 .
AC7      AC7 '.                                   ' non-polymer        63  37 .
AC9      AC9 'TRISACETYLACETONATOCHROMIUM(III)    ' non-polymer        43  22 .
ACA      ACA '6-AMINOHEXANOIC ACID                ' non-polymer        21   9 .
ACB      ACB '3-METHYL-ASPARTIC ACID              ' non-polymer        17  10 .
ACC      ACC 'N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-' non-polymer        46  24 .
ACD      ACD 'ARACHIDONIC ACID                    ' non-polymer        53  22 .
ACE      ACE 'ACETYL GROUP                        ' non-polymer         7   3 .
ACF      ACF '"3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL' non-polymer        49  26 .
ACG      ACG 'MODIFIED ACARBOSE PENTASACCHARIDE   ' non-polymer       107  54 .
ACH      ACH 'ACETYLCHOLINE                       ' non-polymer        26  10 .
ACI      ACI '6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-E' non-polymer        25  12 .
A        A   'ADENOSINE-5'-MONOPHOSPHATE          ' RNA                35  23 .
ACJ      ACJ '5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENO' non-polymer        30  24 .
ACK      ACK '"(3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN' non-polymer        33  22 .
ACL      ACL 'DEOXY-CHLOROMETHYL-ARGININE         ' non-polymer        28  13 .
ACM      ACM 'ACETAMIDE                           ' non-polymer         9   4 .
ACN      ACN 'ACETONE                             ' non-polymer        10   4 .
ACO      ACO 'ACETYL COENZYME *A                  ' non-polymer        85  51 .
ACP      ACP 'PHOSPHOMETHYLPHOSPHONIC ACID ADENYLA' non-polymer        48  31 .
ACQ      ACQ 'DIPHOSPHOMETHYLPHOSPHONIC ACID ADENY' non-polymer        51  35 .
ACR      ACR 'ALPHA-ACARBOSE                      ' non-polymer        87  44 .
ACS      ACS '1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ET' non-polymer        44  25 .
ACT      ACT 'ACETATE ION                         ' non-polymer         7   4 .
ACV      ACV 'L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-V' non-polymer        47  24 .
ACW      ACW 'D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-M' non-polymer        48  25 .
ACX      ACX 'ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOS' non-polymer       126  66 .
ACY      ACY 'ACETIC ACID                         ' non-polymer         7   4 .
ACZ      ACZ 'CIS-AMICLENOMYCIN                   ' non-polymer        29  14 .
AD0      AD0 'DIGALACTURONIC ACID                 ' non-polymer        41  25 .
AD1      AD1 '(3S)-3-hydroxy-1-methyl-2,3-dihydro-' non-polymer        22  13 .
AD2      AD2 '2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE' non-polymer        37  26 .
AD3      AD3 '3-DEAZA-ADENOSINE                   ' non-polymer        33  19 .
AD4      AD4 '.                                   ' non-polymer       137  62 .
AD5      AD5 'N~6~-cyclohexyl-N~2~-(4-morpholin-4-' non-polymer        56  29 .
AD6      AD6 '4-[(5-bromo-1,3-thiazol-2-yl)amino]-' non-polymer        27  17 .
AD7      AD7 '"octyl 3-amino-3-deoxy-2-O-(2,6-dide' non-polymer        68  29 .
AD8      AD8 '1-(adamantan-1-yl)-2-(1H-imidazol-1-' non-polymer        38  18 .
AD9      AD9 'ADP METAVANADATE                    ' non-polymer        45  31 .
ADA      ADA 'ALPHA-D-GALACTOPYRANURONIC ACID     ' pyranose           22  13 .
ADB      ADB '4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-' non-polymer        35  25 .
ADC      ADC '(1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLO' non-polymer        28  17 .
ADD      ADD '2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-M' non-polymer        56  24 .
ADE      ADE 'ADENINE                             ' non-polymer        15  10 .
ADF      ADF '"4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL' non-polymer        61  29 .
ADH      ADH '1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHY' non-polymer        24  11 .
ADI      ADI '2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHAT' non-polymer        37  25 .
ADJ      ADJ 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE-AD' non-polymer       107  66 .
ADK      ADK '3-METHYL-3H-PURIN-6-YLAMINE         ' non-polymer        18  11 .
ADL      ADL '(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-AN' non-polymer        32  21 .
ADM      ADM 'ADAMANTANE                          ' non-polymer        26  10 .
ADN      ADN 'ADENOSINE                           ' non-polymer        32  19 .
ADO      ADO 'ADAMANTANONE                        ' non-polymer        25  11 .
ADP      ADP 'ADENOSINE-5'-DIPHOSPHATE            ' non-polymer        39  27 .
ADQ      ADQ 'ADENOSINE-5'-DIPHOSPHATE-GLUCOSE    ' non-polymer        61  38 .
ADR      ADR '2,6-DIAMINO-2,3,6-TRIDEOXY-ALPHA-D-R' non-polymer        24  10 .
ADS      ADS 'ADENOSINE-5'-(DITHIO)PHOSPHATE      ' non-polymer        37  23 .
ADT      ADT '3'-DEOXY-3'-ACETAMIDO-THYMIDINE     ' non-polymer        37  20 .
ADU      ADU '3'-DEOXY-3'-ACETAMIDO-URIDINE       ' non-polymer        35  20 .
ADV      ADV 'ALPHA-BETA METHYLENE ADP-RIBOSE     ' non-polymer        61  36 .
ADW      ADW 'ADENOSINE-5'-DITUNGSTATE            ' non-polymer        42  27 .
ADX      ADX "ADENOSINE-5'-PHOSPHOSULFATE         " .                  39  27 .
ADY      ADY '3'-OXO-ADENOSINE                    ' non-polymer        30  19 .
ADZ      ADZ '9-METHYL-9H-PURIN-6-AMINE           ' non-polymer        18  11 .
AE1      AE1 '"2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](D' non-polymer        36  18 .
AE2      AE2 'AETIOCHOLANOLONE                    ' non-polymer        51  21 .
AE3      AE3 '2-(2-ETHOXYETHOXY)ETHANOL           ' non-polymer        23   9 .
AE4      AE4 '3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL ' non-polymer        44  18 .
AEA      AEA '(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-' non-polymer        20  11 .
AEB      AEB 'AERUGINOSIN 98-B                    ' non-polymer        91  45 .
AED      AED '4-(2-aminoethyl)-2-cyclohexylphenol ' non-polymer        37  16 .
AEE      AEE '6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]' non-polymer        65  33 .
AEF      AEF '4-(2-aminoethyl)phenol              ' non-polymer        21  10 .
AEG      AEG '4-[(2R)-2-aminopropyl]phenol        ' non-polymer        24  11 .
AEH      AEH '4-(2-aminoethyl)-2-ethylphenol      ' non-polymer        27  12 .
AEI      AEI 'THREONINE-ASPARTIC ESTER            ' peptide            30  16 .
AEJ      AEJ '(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO' non-polymer        66  33 .
AEM      AEM '2-AMINOETHANIMIDIC ACID             ' non-polymer        10   4 .
AEN      AEN '5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHY' non-polymer        37  21 .
AEP      AEP '3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY' non-polymer        27  15 .
AES      AES '4-(2-AMINOETHYL)BENZENESULFONYL FLUO' non-polymer        23  13 .
AET      AET 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' RNA                54  34 .
AF1      AF1 '4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-' pyranose           45  22 .
AF2      AF2 '.                                   ' DNA                34  23 .
AF3      AF3 'ALUMINUM FLUORIDE                   ' non-polymer         4   4 .
AF4      AF4 '2,4-BIS{[4-(N-ISOPORPYL)DIAMINOMETHY' non-polymer        61  29 .
AFA      AFA 'N-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGI' non-polymer        38  19 .
AFB      AFB '1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO' non-polymer        44  20 .
AFC      AFC '(3R,12R)-3-AMINO-12-METHYLTETRADECAN' non-polymer        48  17 .
AF       AF  '2-AMINOFLUORENE                     ' non-polymer        25  14 .
AFF      AFF '2-ACETYLAMINOFLUORENE-3-YL          ' non-polymer        30  17 .
AFG      AFG 'N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)' DNA                58  37 .
AFH      AFH '.                                   ' non-polymer        64  40 .
AFI      AFI '2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE' non-polymer        45  26 .
AFJ      AFJ '(2R,4S,5S)-N-butyl-4-hydroxy-2,7-dim' non-polymer        82  33 .
AFN      AFN '8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1  ' non-polymer        38  24 .
AFP      AFP 'ALPHA FRUCTOSE 1,6-DIPHOSPHATE      ' non-polymer        30  20 .
AFQ      AFQ '6-amino-4-{2-[(cyclopentylmethyl)ami' non-polymer        51  26 .
AFZ      AFZ '2,4-BIS(4-AMIDINOPHENYL)FURAN       ' non-polymer        39  23 .
AG0      AG0 '(6R)-6-cyclopentyl-6-[2-(2,6-diethyl' non-polymer        74  37 .
AG1      AG1 'RUTHENIUM PYRIDOCARBAZOLE           ' non-polymer        56  40 .
AG2      AG2 'AGMATINE                            ' non-polymer        23   9 .
AG3      AG3 '1-{4-[(3-aminopropyl)amino]butyl}gua' non-polymer        34  13 .
AG4      AG4 'N-(3-methoxypropyl)-2-(phenylsulfany' non-polymer        44  25 .
AG5      AG5 'N-(2-phenylethyl)-2-(phenylsulfanyl)' non-polymer        47  28 .
AG6      AG6 'N-[(benzyloxy)carbonyl]-L-alpha-glut' non-polymer        83  45 .
AG7      AG7 '"4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[' non-polymer        84  43 .
AGA      AGA '"(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL' non-polymer        66  30 .
AGB      AGB 'N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZY' non-polymer        52  25 .
AG       AG  'SILVER ION                          ' non-polymer         1   1 .
AGD      AGD '3-(2-amino-6-oxo-1,6-dihydro-9H-puri' peptide            26  17 .
AGE      AGE '(2E)-N-hydroxy-3-[1-methyl-4-(phenyl' non-polymer        37  21 .
AGF      AGF 'O-(((1R)-((N-(PHENYL-METHOXY-CARBONY' non-polymer        56  32 .
AGG      AGG 'TIROFIBAN                           ' non-polymer        65  30 .
AGH      AGH 'N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYR' non-polymer       159  60 .
AGI      AGI '5,7-dihydroxy-2-(4-hydroxyphenyl)-4H' non-polymer        30  20 .
AGL      AGL '4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE ' pyranose           24  11 .
AGM      AGM '5-METHYL-ARGININE                   ' peptide            29  13 .
AGN      AGN '.                                   ' non-polymer        64  41 .
AGO      AGO '2-amino-9-(5-O-[(R)-hydroxy{[(R)-hyd' non-polymer        63  42 .
AGP      AGP '2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE' non-polymer        30  16 .
AGQ      AGQ '3-[(3E)-3-(carbamimidoylhydrazono)-4' peptide            31  19 .
AGS      AGS 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE' non-polymer        45  31 .
AGT      AGT 'S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]MET' peptide            34  15 .
AGU      AGU 'AMINOGUANIDINE                      ' non-polymer        11   5 .
AGX      AGX '(1S)-1-(1H-benzimidazol-2-yl)ethyl (' non-polymer        36  23 .
AGY      AGY '2-[(4-tert-butyl-3-nitrophenyl)carbo' non-polymer        52  30 .
AH0      AH0 '2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA' non-polymer        35  19 .
AH1      AH1 'AHA001                              ' non-polymer        74  40 .
AH8      AH8 '(2R,3R,4R,5S)-2-azido-5-(hydroxymeth' non-polymer        21  12 .
AHB      AHB 'BETA-HYDROXYASPARAGINE              ' peptide            17  10 .
AHC      AHC '4-AMINOHYDROCINNAMIC ACID           ' non-polymer        22  12 .
AHD      AHD '4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPH' non-polymer        23  14 .
AHE      AHE '"2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOY' non-polymer        39  22 .
AHF      AHF '2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL' non-polymer        87  47 .
AHG      AHG '2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE ' non-polymer        29  19 .
AHH      AHH 'AMINO-HYDROXYHEPTANOIC ACID         ' non-polymer        25  11 .
AHI      AHI '3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AM' non-polymer        22   9 .
AHL      AHL 'N-HYDROXY-L-ARGININAMIDE            ' non-polymer        28  13 .
AHM      AHM '2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE ' non-polymer        29  19 .
AHN      AHN 'N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMI' non-polymer        22  11 .
AHO      AHO 'N-ACETYL-N-HYDROXY-L-ORNITHINE      ' non-polymer        26  13 .
AHP      AHP '2-AMINO-HEPTANOIC ACID              ' peptide            24  10 .
AHQ      AHQ '"(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,' non-polymer        35  24 .
AHR      AHR 'ALPHA-L-ARABINOFURANOSE             ' furanose           20  10 .
AHS      AHS '(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTY' non-polymer        50  20 .
AHT      AHT '4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHE' non-polymer        33  15 .
AHU      AHU '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IO' non-polymer        31  18 .
AHX      AHX 'SERYL-HYDROXAMATE-ADENOSINE MONOPHOS' non-polymer        49  30 .
AHY      AHY '(2S,3R)-3-AMINO-2-HYDROXYDECANOIC AC' non-polymer        34  14 .
AHZ      AHZ 'ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)' non-polymer        57  38 .
AI1      AI1 'N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-B' non-polymer        51  28 .
AI2      AI2 '3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,' non-polymer        23  13 .
AI3      AI3 '2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]I' non-polymer        40  24 .
AI7      AI7 '3-(heptyloxy)benzoic acid           ' non-polymer        36  17 .
AIA      AIA '(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ET' non-polymer        41  18 .
AIB      AIB 'ALPHA-AMINOISOBUTYRIC ACID          ' peptide            15   7 .
AIC      AIC '"(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENY' non-polymer        42  24 .
AI       AI  '"(2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCL' non-polymer       122  58 .
AIF      AIF '"[(2R,3S,4R,5E)-5-[(5-amino-2,6-diox' non-polymer        36  23 .
AIG      AIG '4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-T' pyranose           43  18 .
AIH      AIH '(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHY' non-polymer        65  34 .
AIJ      AIJ '(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(' non-polymer        62  33 .
AIK      AIK 'N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-(' non-polymer        72  38 .
AIL      AIL 'N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLC' non-polymer        39  21 .
AIM      AIM '4-(4-AMINO-CYCLOHEXYLIDENE)-4H-IMIDA' non-polymer        27  13 .
AIN      AIN '2-(ACETYLOXY)BENZOIC ACID           ' non-polymer        20  13 .
AIO      AIO '[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROL' non-polymer        47  21 .
AIP      AIP 'ANTIPAIN                            ' non-polymer        86  43 .
AIQ      AIQ '2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFA' non-polymer        32  20 .
AIR      AIR '5-AMINOIMIDAZOLE RIBONUCLEOTIDE     ' non-polymer        31  19 .
AIS      AIS '5-AMINOIMIDAZOLE RIBONUCLEOSIDE     ' non-polymer        28  15 .
AIT      AIT '(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(' non-polymer        62  33 .
AIU      AIU '(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHY' non-polymer        65  34 .
AIX      AIX '"(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-' non-polymer        44  24 .
AIZ      AIZ '"3-{6-[(2-CHLOROPHENYL)AMINO]-1H-IND' non-polymer        60  35 .
AJ3      AJ3 '3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-' non-polymer        19   9 .
AJA      AJA '"(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1' non-polymer        64  29 .
AJB      AJB '2-amino-N-(4-methyl-1,3-thiazol-2-yl' non-polymer        37  23 .
AJD      AJD '5-bromo-2-[(3R)-piperidin-3-ylamino]' non-polymer        31  17 .
AJH      AJH '"4-({4-[(3R)-3-amino-4-(2,4,5-triflu' non-polymer        56  33 .
AJI      AJI '3-[(4-fluorophenyl)sulfanyl]-N-(4-me' non-polymer        45  30 .
AJM      AJM 'AJMALINE                            ' non-polymer        44  22 .
AJZ      AJZ '3-(4-morpholin-4-ylthieno[3,2-d]pyri' non-polymer        37  22 .
AK1      AK1 '1-{5-[2-(thieno[3,2-d]pyrimidin-4-yl' non-polymer        46  31 .
AK2      AK2 '1-(3-chlorophenyl)-3-{5-[2-(thieno[3' non-polymer        43  28 .
AK3      AK3 '1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d' non-polymer        49  32 .
AK4      AK4 '"(7-{[2-(2-{[(3-chlorophenyl)carbamo' non-polymer        48  32 .
AK5      AK5 '3-({3-[(6-amino-5-bromopyrimidin-4-y' non-polymer        51  31 .
AK6      AK6 '4-methoxy-N-phenyl-3-({3-[(1H-pyrrol' non-polymer        57  33 .
AK7      AK7 '1-(5-{2-[(6-amino-5-bromopyrimidin-4' non-polymer        45  30 .
AK8      AK8 '1-[3-methyl-4-({3-[2-(methylamino)py' non-polymer        57  36 .
AKA      AKA '10-DECARBOXYMETHYLACLACINOMYCIN A (D' non-polymer       105  54 .
AKB      AKB '2-AMINO-3-KETOBUTYRIC ACID          ' non-polymer        14   8 .
AKC      AKC '"2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3' non-polymer        85  46 .
AKD      AKD '5-bromo-2-[(3S)-piperidin-3-ylamino]' non-polymer        31  17 .
AKG      AKG '2-OXOGLUTARIC ACID                  ' non-polymer        14  10 .
AKL      AKL '3-AMINO-5-CHLORO-4-OXOPENTANOIC ACID' non-polymer        17  10 .
AKN      AKN '(2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)-5-A' non-polymer        83  40 .
AKP      AKP 'N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEU' non-polymer       119  62 .
AKR      AKR 'ACRYLIC ACID                        ' non-polymer         8   5 .
AKT      AKT '10-DECARBOXYMETHYLACLACINOMYCIN T (D' non-polymer        70  37 .
AKV      AKV '{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5' non-polymer        52  30 .
AKY      AKY '.                                   ' non-polymer       111  58 .
AL0      AL0 '3-[HYDROXY(NITROSO)AMINO]-L-ALANINE ' non-polymer        16  10 .
AL1      AL1 '3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-' non-polymer        37  23 .
AL2      AL2 '3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPH' non-polymer        38  24 .
AL3      AL3 '3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMET' non-polymer        34  22 .
AL4      AL4 '(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-ME' non-polymer        41  22 .
AL5      AL5 'THIOPHENE-2,5-DISULFONIC ACID 2-AMID' non-polymer        35  21 .
AL6      AL6 '2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E' non-polymer        35  23 .
AL7      AL7 '(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer        42  25 .
AL8      AL8 '(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer        42  25 .
AL9      AL9 'N-[(4-METHOXYPHENYL)METHYL]2,5-THIOP' non-polymer        36  22 .
ALA      ALA 'ALANINE                             ' peptide            10   5 .
ALB      ALB 'DELTA-2-ALBOMYCIN A1                ' non-polymer       125  69 .
ALC      ALC '2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID ' peptide            28  12 .
AL       AL  'ALUMINUM ION                        ' non-polymer         1   1 .
ALD      ALD 'CARBOBENZYLOXYLEUCINYL-LEUCINYL-LEUC' non-polymer        77  34 .
ALE      ALE 'L-EPINEPHRINE                       ' non-polymer        26  13 .
ALF      ALF 'TETRAFLUOROALUMINATE ION            ' non-polymer         5   5 .
ALG      ALG 'GUANIDINOBUTYRYL GROUP              ' non-polymer        20   9 .
ALH      ALH '6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE  ' non-polymer        37  20 .
ALI      ALI 'METHYL N-ACETYL ALLOSAMINE          ' non-polymer        26  14 .
ALJ      ALJ 'CYCLO-(L-ARGININE-L-PROLINE) INHIBIT' non-polymer        37  18 .
ALK      ALK '(1R)-1-[DIHYDROXY(METHOXY)-LAMBDA^5^' non-polymer        18   8 .
ALL      ALL 'D-ALLOPYRANOSE                      ' non-polymer        24  12 .
ALM      ALM '1-METHYL-ALANINAL                   ' non-polymer        15   6 .
ALN      ALN 'NAPHTHALEN-2-YL-3-ALANINE           ' peptide            28  16 .
ALO      ALO 'ALLO-THREONINE                      ' peptide            16   8 .
ALP      ALP '2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DI' non-polymer        29  16 .
ALQ      ALQ '2-METHYL-PROPIONIC ACID             ' non-polymer        13   6 .
ALR      ALR 'ALRESTATIN                          ' non-polymer        27  19 .
ALS      ALS '2-AMINO-3-OXO-4-SULFO-BUTYRIC ACID  ' non-polymer        16  12 .
ALT      ALT 'THIOALANINE                         ' non-polymer        13   6 .
ALU      ALU 'METHYL HYDROGEN (S)-ACETYLPHOSPHONAT' non-polymer        15   8 .
ALW      ALW 'METHYL 5-(PROPYLSULFINYL)-1H-BENZIMI' non-polymer        34  19 .
ALY      ALY 'N(6)-ACETYLLYSINE                   ' peptide            28  13 .
ALZ      ALZ '.                                   ' non-polymer        50  24 .
AM0      AM0 'N-phenyl-1-{4-[(3,4,5-trimethoxyphen' non-polymer        58  35 .
AM1      AM1 '(S)-2-AMINO-3-(3-CARBOXY-5-METHYLISO' non-polymer        23  15 .
AM2      AM2 'APRAMYCIN                           ' non-polymer        78  37 .
AM3      AM3 '"(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)' non-polymer        50  22 .
AM4      AM4 '4-(METHYLSULFONYL)BENZENECARBOXIMIDA' non-polymer        23  13 .
AM5      AM5 '4-methyl-N~3~-(2-{[4-(4-methylpipera' non-polymer        73  43 .
AM6      AM6 '2-methyl-N-{4-methyl-3-[(2-{[4-(4-me' non-polymer        76  44 .
AM7      AM7 '2-benzyl-5-(3-fluoro-4-{[6-methoxy-7' non-polymer        80  45 .
AM8      AM8 'N-(3-chlorophenyl)-N-methyl-2-oxo-3-' non-polymer        53  31 .
AM9      AM9 '"6-(2,6-dimethylphenyl)-2-{[4-(4-met' non-polymer        70  40 .
AMB      AMB 'L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ' non-polymer        17   9 .
AMC      AMC 'AMINOMETHYLCYCLOHEXANE              ' non-polymer        24   8 .
AMD      AMD 'ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOP' non-polymer        47  30 .
AME      AME 'N-ACETYLMETHIONINE                  ' non-polymer        24  12 .
AMF      AMF '"(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)' non-polymer        50  22 .
AMG      AMG 'ALPHA-METHYL-D-GALACTOSIDE          ' non-polymer        27  13 .
AMH      AMH 'TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CAR' non-polymer        25  11 .
AMI      AMI 'ALLOSAMIZOLINE                      ' non-polymer        31  15 .
AMJ      AMJ 'N~2~-acetyl-N-benzyl-O-methyl-L-seri' non-polymer        36  18 .
AMK      AMK '"(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMO' non-polymer        93  45 .
AML      AML 'AMYLAMINE                           ' non-polymer        19   6 .
AMM      AMM '(2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SIL' non-polymer        32  13 .
AMN      AMN '9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETY' non-polymer        43  22 .
AMO      AMO 'ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE ' non-polymer        48  31 .
AMP      AMP 'ADENOSINE MONOPHOSPHATE             ' non-polymer        35  23 .
AMQ      AMQ '(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4' non-polymer        22  13 .
AMR      AMR '3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-C' non-polymer        23  15 .
AMS      AMS '3-MERCURI-4-AMINOBENZENESULFONAMIDE ' non-polymer        19  12 .
AMT      AMT '2-AMINOTHIAZOLE                     ' non-polymer        10   6 .
AMU      AMU 'BETA-N-ACETYLMURAMIC ACID           ' pyranose           38  20 .
AMV      AMV '"METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-' non-polymer        41  21 .
AMW      AMW 'ADENOSINE MONOTUNGSTATE             ' non-polymer        37  23 .
AMX      AMX 'AMIDOCARBOXYMETHYLDETHIA COENZYME *A' non-polymer        86  51 .
AMY      AMY 'ANTIMYCIN                           ' non-polymer        76  38 .
AMZ      AMZ 'AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUC' non-polymer        35  22 .
AN0      AN0 'N-ACETYL-L-NORVALINE                ' non-polymer        23  11 .
AN1      AN1 '3-(10-METHYL-ANTHRACEN-9-YL)-PROPION' non-polymer        35  20 .
AN2      AN2 'AMP PHOSPHORAMIDATE                 ' non-polymer        42  27 .
AN3      AN3 'ANTHRACENE                          ' non-polymer        24  14 .
AN4      AN4 '3,4,5,6-tetrahydro-2,3'-bipyridine  ' non-polymer        24  12 .
AN5      AN5 '5-amino-1-pyridin-3-ylpentan-1-one  ' non-polymer        27  13 .
AN7      AN7 '"(3E)-4-{3-hydroxy-2-methyl-5-[(phos' non-polymer        30  21 .
AN9      AN9 '1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO' non-polymer        72  36 .
ANA      ANA '4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETY' non-polymer        47  25 .
ANB      ANB 'ANDROSTA-1,4-DIENE-3,17-DIONE       ' non-polymer        45  21 .
ANC      ANC 'ANTHRACEN-1-YLAMINE                 ' non-polymer        26  15 .
AND      AND '3-BETA-HYDROXY-5-ANDROSTEN-17-ONE   ' non-polymer        49  21 .
ANF      ANF 'ANTHRONE                            ' non-polymer        25  15 .
ANG      ANG '8-AMINOGUANINE                      ' non-polymer        18  12 .
ANH      ANH '"METHYL N-[(4-METHYLPHENYL)SULFONYL]' non-polymer        54  30 .
ANI      ANI '4-(trifluoromethyl)aniline          ' non-polymer        17  11 .
ANJ      ANJ '"(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO' non-polymer        79  39 .
ANL      ANL 'ANILINE                             ' non-polymer        14   7 .
ANM      ANM 'ANISOMYCIN                          ' non-polymer        38  19 .
ANN      ANN '4-METHOXYBENZOIC ACID               ' non-polymer        18  11 .
ANO      ANO '5-BETA-ANDROSTANE-3,17-DIONE        ' non-polymer        49  21 .
ANP      ANP 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLAT' .                  44  31 .
ANQ      ANQ 'ACENAPHTHENEQUINONE                 ' non-polymer        20  14 .
ANR      ANR 'ANHYDRORETINOL                      ' non-polymer        48  20 .
ANS      ANS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer        30  17 .
ANT      ANT 'ANTHRAMYCIN                         ' non-polymer        40  23 .
ANU      ANU '2,2'-ANHYDROURIDINE                 ' non-polymer        26  16 .
ANW      ANW '2-amino-7-(1-methylethyl)-5-oxo-5H-c' non-polymer        35  22 .
ANX      ANX '2,5-DINITROPHENOL                   ' non-polymer        17  13 .
ANY      ANY '"2-METHYL-BUTYRIC ACID 3-(3-FORMYLAM' non-polymer        82  40 .
ANZ      ANZ '.                                   ' non-polymer        48  33 .
AO1      AO1 '(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSU' non-polymer        50  24 .
AO2      AO2 'N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-2-HY' non-polymer        49  22 .
AO3      AO3 'ALLOSAMIDIN                         ' non-polymer        85  43 .
AO5      AO5 '.                                   ' non-polymer        45  23 .
AOA      AOA '(AMINOOXY)ACETIC ACID               ' non-polymer        10   6 .
AOD      AOD '5-bromo-2-{[(1S,3R)-3-carboxycyclohe' non-polymer        34  20 .
AOE      AOE 'N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3' non-polymer        93  38 .
AOG      AOG '4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-T' pyranose           49  20 .
AOL      AOL '(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE' non-polymer        21  10 .
AOM      AOM '5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIO' non-polymer        53  21 .
AON      AON '5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-D' non-polymer        53  21 .
AOO      AOO 'N-ethyl-6-methoxy-N'-(1-methylethyl)' non-polymer        32  15 .
AOP      AOP 'PENTYLOXYAMINO-ACETALDEHYDE         ' non-polymer        25  10 .
AOR      AOR 'N~2~-ACETYL-L-ORNITHINE             ' non-polymer        25  12 .
AOS      AOS 'D-ALLOSE                            ' non-polymer        24  12 .
AP0      AP0 'ACETYL PYRIDINE ADENINE DINUCLEOTIDE' non-polymer        74  44 .
AP1      AP1 '"{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{' non-polymer        96  50 .
AP2      AP2 'PHOSPHOMETHYLPHOSPHONIC ACID ADENOSY' non-polymer        44  27 .
AP3      AP3 '"2-(1-CARBOXY-2-HYDROXY-2-METHYL-PRO' non-polymer        35  18 .
AP4      AP4 '7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA' non-polymer        25  16 .
AP5      AP5 'BIS(ADENOSINE)-5'-PENTAPHOSPHATE    ' non-polymer        81  57 .
AP6      AP6 '2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAH' non-polymer        32  18 .
AP7      AP7 '.                                   ' RNA                36  23 .
AP8      AP8 '.                                   ' non-polymer       177  76 .
AP9      AP9 '(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)' non-polymer        54  28 .
APA      APA 'AMIDO PHENYL PYRUVIC ACID           ' non-polymer        24  15 .
APB      APB 'M-AMINOPHENYLBORONIC ACID           ' non-polymer        18  10 .
APC      APC 'DIPHOSPHOMETHYLPHOSPHONIC ACID ADENO' non-polymer        47  31 .
AP       AP  'N-1-AMINOPYRENE                     ' non-polymer        28  17 .
APD      APD '3-METHYLPHENYLALANINE               ' non-polymer        25  13 .
APE      APE '(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC AC' non-polymer        25  13 .
APF      APF '"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENY' non-polymer        30  18 .
APG      APG 'ATROLACTIC ACID (2-PHENYL-LACTIC ACI' non-polymer        21  12 .
APH      APH 'P-AMIDINOPHENYL-3-ALANINE           ' peptide            27  15 .
API      API '2,6-DIAMINOPIMELIC ACID             ' non-polymer        25  13 .
APJ      APJ 'N~2~-1H-benzimidazol-5-yl-N~4~-(3-cy' non-polymer        41  25 .
APK      APK '5'-O-[(S)-{[(5S)-5-AMINO-6-OXOHEXYL]' non-polymer        57  31 .
APL      APL 'N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHY' non-polymer        33  19 .
APM      APM 'M-AMIDINOPHENYL-3-ALANINE           ' peptide            27  15 .
APN      APN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        36  21 .
APO      APO 'D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID' non-polymer        17  10 .
APP      APP '1-ACETYL-2-CARBOXYPIPERIDINE        ' non-polymer        24  12 .
APQ      APQ '2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3' non-polymer        34  18 .
APR      APR 'ADENOSINE-5-DIPHOSPHORIBOSE         ' non-polymer        57  36 .
APS      APS '9-HYDROXYPROPYLADENINE, S-ISOMER    ' non-polymer        25  14 .
APT      APT '2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-M' non-polymer        35  23 .
APU      APU 'ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MO' non-polymer        65  43 .
APV      APV '"6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO' non-polymer        41  24 .
APW      APW '"{5'-O-[(R)-{[(S)-AMINO(HYDROXY-KAPP' non-polymer        42  28 .
APX      APX '2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHO' non-polymer        65  40 .
APY      APY '2-AMINOMETHYL-PYRIDINE              ' non-polymer        16   8 .
APZ      APZ '4-AMINOPHTHALHYDRAZIDE              ' non-polymer        20  13 .
AQ4      AQ4 '[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLIN' non-polymer        52  29 .
AQC      AQC '9,10-dioxo-9,10-dihydroanthracene-2-' non-polymer        28  19 .
AQO      AQO '2-AMINOQUINAZOLIN-4(3H)-ONE         ' non-polymer        19  12 .
AQP      AQP 'ADENOSINE-5'-TETRAPHOSPHATE         ' non-polymer        47  35 .
AQS      AQS 'N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINO' non-polymer        53  28 .
AQZ      AQZ 'N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-Y' non-polymer        80  43 .
AR1      AR1 '(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-' non-polymer        63  35 .
AR2      AR2 'ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC A' non-polymer        39  23 .
AR3      AR3 'CYTARABINE                          ' non-polymer        30  17 .
AR4      AR4 '"2-AMINO-5-(3-FLUORO-3,4-DIHYDROXY-5' peptide            37  20 .
AR6      AR6 '"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL' non-polymer        57  36 .
AR8      AR8 '"N-{[(1S)-5-{4-[25-({2,4-BIS[HYDROXY' non-polymer       121  64 .
AR9      AR9 '(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-di' non-polymer        76  31 .
ARA      ARA 'ALPHA-L-ARABINOSE                   ' pyranose           20  10 .
ARB      ARB 'BETA-L-ARABINOSE                    ' pyranose           20  10 .
ARC      ARC '3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL' non-polymer        63  21 .
AR       AR  'ARGON                               ' non-polymer         1   1 .
ARD      ARD 'C15-(R)-METHYLTHIENYL RAPAMYCIN     ' non-polymer       150  69 .
ARE      ARE 'ACARBOSE DERIVED PENTASACCHARIDE    ' non-polymer       108  55 .
ARF      ARF 'FORMAMIDE                           ' non-polymer         6   3 .
ARG      ARG 'ARGININE                            ' peptide            24  11 .
ARH      ARH '3-(HYDROXYMETHYL)-1-METHYL-5-(2-METH' non-polymer        42  24 .
ARI      ARI '[O4]-ACETOXY-2,3-DIDEOXYFUCOSE      ' non-polymer        26  12 .
ARJ      ARJ '(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)' non-polymer        32  19 .
ARK      ARK '"N-({(1S)-5-[4-({2-[2-({2,4-BIS[HYDR' non-polymer        79  46 .
ARL      ARL '7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLO' non-polymer        56  25 .
ARM      ARM 'DEOXY-METHYL-ARGININE               ' non-polymer        28  12 .
ARN      ARN '1-IMINO-5-PENTANONE                 ' non-polymer        16   7 .
ARO      ARO 'C-GAMMA-HYDROXY ARGININE            ' peptide            28  13 .
ARP      ARP '9-HYDROXYPROPYLADENINE, R-ISOMER    ' non-polymer        25  14 .
ARQ      ARQ 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROX' non-polymer        75  37 .
ARR      ARR 'N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL' non-polymer        45  25 .
ARS      ARS 'ARSENIC                             ' non-polymer         1   1 .
ART      ART 'ARSENATE                            ' non-polymer         5   5 .
ARU      ARU '"5'-O-[(R)-{[(R)-[dibromo(phosphono)' non-polymer        60  37 .
ARV      ARV '5-N-ALLYL-ARGININE                  ' peptide            33  15 .
ARW      ARW 'METHYL BETA-D-ARABINOPYRANOSIDE     ' non-polymer        23  11 .
ARX      ARX '(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-' non-polymer        97  50 .
ARY      ARY 'ARYLOMYCIN A2                       ' non-polymer       118  59 .
ARZ      ARZ '(3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thia' non-polymer        40  22 .
AS0      AS0 '"4-[(11BETA,17BETA)-17-METHOXY-17-(M' non-polymer        68  33 .
AS1      AS1 'ARGININOSUCCINATE                   ' non-polymer        35  20 .
AS2      AS2 '(2R)-2-AMINO-4-OXOBUTANOIC ACID     ' peptide            14   8 .
AS3      AS3 '4-METHYL-6-PROPYLPYRIDIN-2-AMINE    ' non-polymer        25  11 .
AS4      AS4 'ALDOSTERONE                         ' non-polymer        54  26 .
AS5      AS5 '2-(acetylamino)-4-O-[2-(acetylamino)' non-polymer        56  28 .
AS9      AS9 'N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPA' non-polymer        21  13 .
ASA      ASA 'ASPARTIC ALDEHYDE                   ' non-polymer        14   8 .
ASB      ASB 'ASPARTIC ACID-4-CARBOXYMETHYL ESTER ' peptide            20  13 .
ASC      ASC 'ASCORBIC ACID                       ' non-polymer        20  12 .
AS       AS  '.                                   ' non-polymer        36  22 .
ASD      ASD '4-ANDROSTENE-3-17-DIONE             ' non-polymer        47  21 .
ASE      ASE 'N-ACETYL SEROTONIN                  ' non-polymer        30  16 .
ASF      ASF '3-(BUTYLSULPHONYL)-PROPANOIC ACID   ' non-polymer        25  12 .
ASG      ASG '2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE' pyranose           34  19 .
ASH      ASH '3-chloro-N-(4-morpholin-4-ylphenyl)-' non-polymer        48  29 .
ASK      ASK 'DEHYDROXYMETHYLASPARTIC ACID        ' non-polymer        17   9 .
ASL      ASL 'ASPARTIC ACID-4-CARBOXYETHYL ESTER  ' peptide            23  14 .
ASM      ASM '2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTAN' peptide            22  13 .
ASN      ASN 'ASPARAGINE                          ' peptide            14   8 .
ASO      ASO '1,5-ANHYDROSORBITOL                 ' pyranose           23  11 .
ASP      ASP 'ASPARTIC-ACID                       ' peptide            12   8 .
ASR      ASR '4-AMINOPHENYLARSONIC ACID           ' non-polymer        19  11 .
AST      AST 'ARSENITE                            ' non-polymer         4   4 .
ASU      ASU '4'-THIO-2'4'-DIDEOXYRIBOFURANOSE-5'-' DNA                22  13 .
ASV      ASV 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        42  23 .
ASX      ASX 'ASP/ASN AMBIGUOUS                   ' non-polymer        19   8 .
ASY      ASY '(12E)-10-oxooctadec-12-enoic acid   ' non-polymer        52  21 .
ASZ      ASZ '2-(DIMETHYLAMINO)ETHANESULFONIC ACID' non-polymer        20   9 .
AT1      AT1 '(S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSP' non-polymer        39  21 .
AT2      AT2 'ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO' non-polymer        40  19 .
AT3      AT3 'ACETYLTHIOCHOLINE                   ' non-polymer        26  10 .
AT4      AT4 '5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)P' non-polymer        41  27 .
AT5      AT5 '3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMET' non-polymer        44  23 .
AT6      AT6 'N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)E' non-polymer        37  21 .
ATA      ATA 'ATRAZINE GLUTATHIONE CONJUGATE      ' non-polymer        61  33 .
ATC      ATC '9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-' non-polymer        67  37 .
ATD      ATD 'THYMIDINE-3'-PHOSPHATE              ' non-polymer        34  21 .
ATE      ATE '16,17-ANDROSTENE-3-OL               ' non-polymer        50  20 .
ATF      ATF 'PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID' non-polymer        48  33 .
ATG      ATG 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE' non-polymer        45  31 .
ATH      ATH '4-HYDROXY-ACONITATE ION             ' non-polymer        16  13 .
ATI      ATI 'N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOY' non-polymer        69  33 .
ATJ      ATJ 'ETHYL HYDROGEN PHOSPHONATE          ' non-polymer        13   6 .
ATL      ATL '"[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-' non-polymer        36  23 .
ATM      ATM '3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPH' non-polymer        35  23 .
ATN      ATN 'N-[(2S,3R)-3-AMINO-2-HYDROXY-4-PHENY' non-polymer        66  33 .
ATO      ATO 'CHLOROACETONE                       ' non-polymer        10   5 .
ATP      ATP 'ADENOSINE-5'-TRIPHOSPHATE           ' non-polymer        43  31 .
ATQ      ATQ '2-AMINOTHIAZOLINE                   ' non-polymer        12   6 .
ATR      ATR '2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHA' non-polymer        42  31 .
ATS      ATS '.                                   ' non-polymer        48  31 .
ATT      ATT '2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2' non-polymer        37  22 .
ATU      ATU '9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZ' non-polymer        33  22 .
ATV      ATV '2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[' non-polymer        30  19 .
ATX      ATX '(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-O' non-polymer        29  14 .
ATY      ATY '3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE ' non-polymer        43  28 .
ATZ      ATZ '2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMI' non-polymer        28  14 .
AU3      AU3 'GOLD 3+ ION                         ' non-polymer         1   1 .
AU4      AU4 '4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHY' non-polymer        43  20 .
AUA      AUA '.                                   ' non-polymer       108  47 .
AUC      AUC 'GOLD (I) CYANIDE ION                ' non-polymer         5   5 .
AU       AU  'GOLD ION                            ' non-polymer         1   1 .
AUK      AUK '1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11' non-polymer        61  28 .
AUP      AUP '2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-T' non-polymer        48  27 .
AUR      AUR 'AUROVERTIN B                        ' non-polymer        65  33 .
AV2      AV2 'ADENOSINE-5'-DIPHOSPHATE-2',3'-VANAD' non-polymer        41  30 .
AVC      AVC 'ADENOSINE-5'-MONOPHOSPHATE-2',3'-VAN' RNA                37  26 .
AVD      AVD '"1-(2-carboxyphenyl)-7-chloro-6-[(2-' non-polymer        44  34 .
AVE      AVE '4-[3-(2-Chloro-4,5-difluoro-benzoyl)' non-polymer        36  29 .
AVF      AVF '"1-{2-[3-(2-Chloro-4,5-difluoro-benz' non-polymer        47  31 .
AVG      AVG '2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC A' non-polymer        24  11 .
AVN      AVN '(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDRO' non-polymer        17  11 .
AVP      AVP 'ACYCLOVIR TRIPHOSPHATE              ' non-polymer        38  28 .
AVR      AVR '(2R)-2-amino-1-[2-(1-methylethyl)pyr' non-polymer        34  17 .
AVU      AVU '"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-' non-polymer        55  35 .
AVV      AVV '"[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-' non-polymer        56  36 .
AVW      AVW '"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-' non-polymer        55  35 .
AX1      AX1 '2-amino-6-(1,3-benzodioxol-5-yl)-4-o' non-polymer        31  22 .
AX2      AX2 '1,3,5-triazine-2,4,6-triamine       ' non-polymer        15   9 .
AX3      AX3 'N~2~-cyclopropyl-1,3,5-triazine-2,4,' non-polymer        22  12 .
AX4      AX4 '6-[(4-methylphenyl)sulfanyl]pyrimidi' non-polymer        28  16 .
AX5      AX5 '6-(benzylsulfanyl)pyrimidine-2,4-dia' non-polymer        28  16 .
AX6      AX6 '6-[(4-methoxybenzyl)sulfanyl]pyrimid' non-polymer        32  18 .
AX7      AX7 '1H-benzimidazol-2-amine             ' non-polymer        17  10 .
AX8      AX8 '1-(3,4-dichlorobenzyl)-1H-benzimidaz' non-polymer        30  19 .
AXA      AXA '(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-' non-polymer        54  33 .
AXB      AXB '.                                   ' non-polymer        58  37 .
AXD      AXD '"2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5' non-polymer        57  29 .
AXF      AXF '.                                   ' non-polymer        76  34 .
AXL      AXL '"2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-' non-polymer        45  25 .
AXP      AXP '"4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-B' non-polymer        41  21 .
AXQ      AXQ '"{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1' non-polymer       100  45 .
AXR      AXR 'methyl alpha-D-arabinofuranoside    ' non-polymer        23  11 .
AXT      AXT 'ASTAXANTHIN                         ' non-polymer        96  44 .
AXX      AXX '2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6' non-polymer        34  18 .
AY1      AY1 'ANTIMYCIN A1                        ' non-polymer        82  38 .
AYA      AYA 'N-ACETYLALANINE                     ' non-polymer        17   9 .
AYB      AYB '"5'-O-[(S)-({(2S)-2-amino-6-[(propox' non-polymer        69  38 .
AYC      AYC 'ALAREMYCIN 2                        ' non-polymer        25  13 .
AYD      AYD '.                                   ' non-polymer        41  24 .
AYE      AYE 'prop-2-en-1-amine                   ' non-polymer        11   4 .
AYG      AYG '"[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-HY' non-polymer        35  21 .
AYH      AYH '(1R,3S)-3-[1-(acetylamino)-1-methyle' non-polymer        83  36 .
AYI      AYI '.                                   ' non-polymer        67  37 .
AYL      AYL '5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl' non-polymer        56  33 .
AYM      AYM '3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[' non-polymer        44  24 .
AYQ      AYQ '"N~2~-({(1R,2R,3S)-2-(methylcarbamoy' non-polymer        65  38 .
AZ0      AZ0 '"ethyl (5S,8S,14S)-14-hydroxy-5,8,11' non-polymer        90  42 .
AZ1      AZ1 'AZELAIC ACID                        ' non-polymer        27  13 .
AZ2      AZ2 '"(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSU' non-polymer        51  28 .
AZA      AZA '8-AZAXANTHINE                       ' non-polymer        14  11 .
AZC      AZC '.                                   ' non-polymer        34  18 .
AZD      AZD '3'-AZIDO-3'-DEOXYTHYMIDINE-5'-DIPHOS' non-polymer        39  27 .
AZE      AZE 'ALL-TRANS AXEROPHTHENE              ' non-polymer        50  20 .
AZF      AZF 'AZAFAGOMINE                         ' non-polymer        22  10 .
AZG      AZG '5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYR' non-polymer        15  11 .
AZI      AZI 'AZIDE ION                           ' non-polymer         3   3 .
AZK      AZK '(S)-2-AMINO-6-AZIDOHEXANOIC ACID    ' non-polymer        25  11 .
AZL      AZL '1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINO' non-polymer        63  30 .
AZM      AZM '5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULF' non-polymer        19  13 .
AZN      AZN 'ALIZARIN RED                        ' non-polymer        30  22 .
AZO      AZO '"METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOX' non-polymer        47  30 .
AZP      AZP '"(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXO' non-polymer        89  46 .
AZQ      AZQ 'AZAPROPAZONE                        ' non-polymer        40  22 .
AZR      AZR 'AZTREONAM                           ' non-polymer        44  28 .
AZS      AZS 'O-DIAZOACETYL-L-SERINE              ' peptide            18  12 .
AZT      AZT '3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHO' non-polymer        43  31 .
AZX      AZX '4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUOR' non-polymer        49  31 .
AZY      AZY '3-AZIDO-L-TYROSINE                  ' peptide            25  16 .
AZZ      AZZ '3'-azido-3'-deoxythymidine          ' non-polymer        32  19 .
B08      B08 '.                                   ' non-polymer        49  29 .
B0D      B0D '(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hyd' non-polymer        23  13 .
B10      B10 'N-{5-tert-butyl-2-methoxy-3-[({4-[6-' non-polymer        83  44 .
B11      B11 'N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-' non-polymer        59  33 .
B12      B12 'COBALAMIN                           ' non-polymer       178  91 .
B13      B13 '5-HYDROXYBENZIMIDAZOLYLCOB(III)AMIDE' non-polymer       177  90 .
B14      B14 '"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'' non-polymer        44  28 .
B15      B15 '"[2,2'-({4-[({2-[4-(AMINOSULFONYL)PH' non-polymer        53  32 .
B17      B17 '{1-[4-(AMINOSULFONYL)PHENYL]-11-[(CA' non-polymer        54  31 .
B18      B18 '(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]' non-polymer        55  31 .
B19      B19 '"N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRA' non-polymer        44  22 .
B1L      B1L '3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-' non-polymer        49  27 .
B1M      B1M 'CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE  ' non-polymer       176  91 .
B1Q      B1Q '(4S)-1-[(2S,3S,11bS)-2-amino-9,10-di' non-polymer        55  27 .
B1T      B1T '2,2'-sulfanediylbis(4,6-dichlorophen' non-polymer        25  19 .
B1V      B1V '2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULF' non-polymer        35  21 .
B20      B20 '1,2-dihydro-1,2-azaborinine         ' non-polymer        12   6 .
B21      B21 '5-(2-METHOXYPHENYL)-2-FUROIC ACID   ' non-polymer        25  16 .
B22      B22 '"[2,2'-{[2-({3-[({2-[4-(AMINOSULFONY' non-polymer        57  35 .
B23      B23 '5-(2-NITROPHENYL)-2-FUROIC ACID     ' non-polymer        23  17 .
B24      B24 '1-ethyl-1,2-dihydro-1,2-azaborinine ' non-polymer        18   8 .
B27      B27 '(2R,3S) 3-amino-4-mercapto-2-butanol' non-polymer        18   7 .
B28      B28 '.                                   ' non-polymer        49  29 .
B29      B29 '[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HY' non-polymer        48  30 .
B2A      B2A 'ALANINE BORONIC ACID                ' non-polymer        14   6 .
B2       B2  '(2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHY' non-polymer        27  17 .
B2D      B2D '7-methoxy-N-[(6-phenyl[1,2,4]triazol' non-polymer        46  29 .
B2F      B2F 'PHENYLALANINE BORONIC ACID          ' non-polymer        24  12 .
B2G      B2G 'GALACTOBIOSE                        ' non-polymer        45  23 .
B2I      B2I 'ISOLEUCINE BORONIC ACID             ' non-polymer        23   9 .
B2M      B2M '"6-bromo-N'-[(1Z)-(3,5-dichloro-2-hy' non-polymer        38  26 .
B2Q      B2Q '(2S,3R,11bR)-3-butyl-9,10-dimethoxy-' non-polymer        53  23 .
B2S      B2S '(3alpha,7alpha)-3,7,15-trihydroxy-12' non-polymer        41  21 .
B2V      B2V 'VALINE BORONIC ACID                 ' non-polymer        20   8 .
B2Y      B2Y '1-biphenyl-2-ylmethanamine          ' non-polymer        27  14 .
B30      B30 '"{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOY' non-polymer        40  25 .
B31      B31 '(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-a' non-polymer        79  38 .
B32      B32 '5'-S-[2-(decylamino)ethyl]-5'-thioad' non-polymer        70  32 .
B33      B33 'N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PRO' non-polymer        41  14 .
B34      B34 '(5S)-1-benzyl-3-(1,1-dioxido-1,2-ben' non-polymer        48  28 .
B35      B35 '4-[(1S)-1-(3-fluoro-4-methoxyphenyl)' non-polymer        47  28 .
B36      B36 '6-{[1-(anthracen-9-ylcarbonyl)piperi' non-polymer        62  34 .
B37      B37 '4-({4-[(2-methylquinolin-6-yl)methyl' non-polymer        65  36 .
B38      B38 '1'-(1H-indazol-7-ylcarbonyl)-6-methy' non-polymer        49  28 .
B39      B39 '"[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-' non-polymer        56  31 .
B3A      B3A '(3S)-3-AMINOBUTANOIC ACID           ' non-polymer        15   7 .
B3C      B3C '"benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5' non-polymer       107  56 .
B3D      B3D '3-AMINOPENTANEDIOIC ACID            ' non-polymer        17  10 .
B3E      B3E '(3S)-3-AMINOHEXANEDIOIC ACID        ' non-polymer        20  11 .
B3H      B3H '(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL ' non-polymer        51  21 .
B3I      B3I '2,3,5-TRIIODOBENZOIC ACID           ' non-polymer        14  12 .
B3K      B3K '(3S)-3,7-DIAMINOHEPTANOIC ACID      ' non-polymer        26  11 .
B3L      B3L '(3S)-3-amino-5-methylhexanoic acid  ' non-polymer        24  10 .
B3M      B3M '(3R)-3-amino-5-(methylsulfanyl)penta' non-polymer        22  10 .
B3N      B3N '"4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMO' non-polymer        47  22 .
B3P      B3P '2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-' non-polymer        45  19 .
B3Q      B3Q '(3S)-3,6-diamino-6-oxohexanoic acid ' non-polymer        22  11 .
B3S      B3S '(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID ' non-polymer        16   8 .
B3T      B3T '3-amino-2,3,5-trideoxy-D-threo-pento' non-polymer        19   9 .
B3U      B3U '2-amino-L-histidine                 ' peptide            21  12 .
B3X      B3X '(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID' non-polymer        19  10 .
B3Y      B3Y '(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTA' non-polymer        26  14 .
B40      B40 '(2S)-N-methyl-1-phenylpropan-2-amine' non-polymer        26  11 .
B41      B41 '(2S)-1-(1,3-benzodioxol-5-yl)-N-meth' non-polymer        29  14 .
B42      B42 'N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5' non-polymer        70  36 .
B43      B43 '4-Amino-5-(4-phenoxyphenyl)-7H-pyrro' non-polymer        50  28 .
B44      B44 '.                                   ' non-polymer        59  39 .
B45      B45 '5-(2-chloro-4-fluorophenyl)-1-(2,6-d' non-polymer        63  36 .
B46      B46 '"prop-2-yn-1-yl {[5-(4-piperidin-1-y' non-polymer        52  30 .
B47      B47 '"methyl ({5-[4-(4-hydroxypiperidin-1' non-polymer        52  29 .
B48      B48 '4-methyl-5-[3-(methylsulfanyl)-1H-py' non-polymer        29  18 .
B49      B49 'N-[2-(diethylamino)ethyl]-5-[(Z)-(5-' non-polymer        56  29 .
B4C      B4C '"benzyl [(1S)-5-amino-1-{[(1S)-1-({(' non-polymer        97  49 .
B4D      B4D '"(3S)-6-chloro-3-[(prop-2-en-1-ylsul' non-polymer        36  22 .
B4G      B4G 'GALACTOTRIOSE                       ' non-polymer        66  34 .
B4N      B4N 'bis(4-nitrophenyl) hydrogen phosphat' non-polymer        31  23 .
B4P      B4P 'BIS(ADENOSINE)-5'-TETRAPHOSPHATE    ' non-polymer        77  53 .
B51      B51 'NICKEL/IRON/SULFUR CLUSTER          ' non-polymer        12   8 .
B52      B52 '"(2R)-2-(7-amino-1-methyl-4,5-dioxo-' non-polymer        29  19 .
B53      B53 '2,6-diamino-5-nitrosopyrimidin-4(3H)' non-polymer        16  11 .
B54      B54 '"4-{3-[(2-amino-5-nitroso-6-oxo-1,6-' non-polymer        38  24 .
B55      B55 '2-amino-8-sulfanyl-1,9-dihydro-6H-pu' non-polymer        17  12 .
B56      B56 '2-amino-8-methyl-4-oxo-3,4,7,8-tetra' non-polymer        24  16 .
B57      B57 '2,6-diamino-5-nitropyrimidin-4(3H)-o' non-polymer        17  12 .
B58      B58 '1H-imidazo[4,5-d]pyridazine-4,7-diam' non-polymer        17  11 .
B59      B59 '1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,' non-polymer        25  17 .
B5D      B5D '(3S)-7-chloro-3-methyl-3,4-dihydro-2' non-polymer        23  14 .
B5P      B5P 'N-{3-[5-hydroxy-8-(3-methylbutyl)-7-' non-polymer        55  33 .
B5R      B5R '(2S)-3-(4-chloro-3-fluorophenoxy)-N-' non-polymer        41  28 .
B60      B60 '2-amino-8-methyl-7,8-dihydropteridin' non-polymer        22  13 .
B61      B61 '2-amino-6-(2-hydroxy-2-methylpropyl)' non-polymer        35  18 .
B62      B62 '(6R)-2-amino-6-methyl-5,6,7,8-tetrah' non-polymer        24  13 .
B63      B63 '4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahy' non-polymer        39  24 .
B64      B64 '4-{[2-(methoxycarbonyl)-5-(2-thienyl' non-polymer        32  22 .
B65      B65 '(1R)-4-(3-phenoxyphenyl)-1-phosphono' non-polymer        44  25 .
B66      B66 '4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3' non-polymer        45  29 .
B67      B67 '(2S)-2-hydroxy-2-methyl-N-[4-nitro-3' non-polymer        42  32 .
B68      B68 '(2S)-3-[4-(acetylamino)phenoxy]-2-hy' non-polymer        49  31 .
B69      B69 '.                                   ' non-polymer        55  31 .
B6D      B6D '2,4-bis(acetylamino)-2,4,6-trideoxy-' pyranose           35  17 .
B70      B70 'tripotassium (1R)-4-biphenyl-4-yl-1-' non-polymer        43  27 .
B71      B71 '3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL' non-polymer        59  27 .
B72      B72 '{4-[4-hydroxy-3-(1-methylethyl)benzy' non-polymer        47  24 .
B75      B75 '.                                   ' non-polymer        60  37 .
B76      B76 '.                                   ' non-polymer        50  30 .
B77      B77 '2-[(2-methoxy-5-methylphenoxy)methyl' non-polymer        32  17 .
B78      B78 '4-[(5-methoxy-2-methylphenoxy)methyl' non-polymer        32  17 .
B7C      B7C '3-(2-deoxy-5-O-phosphono-beta-D-eryt' DNA                37  23 .
B7D      B7D '"(3R)-6-chloro-3-(dichloromethyl)-3,' non-polymer        28  20 .
B7G      B7G 'HEPTYL-BETA-D-GLUCOPYRANOSIDE       ' non-polymer        45  19 .
B7M      B7M '(10E,12Z)-hexadeca-10,12-dienal     ' non-polymer        45  17 .
B7N      B7N '"(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,' non-polymer       143  59 .
B80      B80 'N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl' non-polymer        58  35 .
B81      B81 '(3alpha,8alpha,17beta)-androst-5-ene' non-polymer        51  21 .
B82      B82 '2-({[4-bromo-3-(diethylsulfamoyl)phe' non-polymer        45  27 .
B83      B83 '"2-[({4-[(3R,5S)-3,5-dimethylpiperid' non-polymer        60  33 .
B84      B84 '(2R)-3-cyclopentyl-N-(5-methoxy[1,3]' non-polymer        70  37 .
B85      B85 'benzylphosphonic acid               ' non-polymer        20  11 .
B86      B86 '2'-deoxy-5-fluorocytidine           ' non-polymer        29  17 .
B87      B87 '4-(1-benzothiophen-2-yl)-6-[4-(2-oxo' non-polymer        54  29 .
B88      B88 '(2S)-2-{[(S)-[(1R)-1-aminoethyl](hyd' non-polymer        27  15 .
B89      B89 '(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2' non-polymer        47  23 .
B8D      B8D '4-O-methyl-alpha-D-glucopyranose    ' non-polymer        27  13 .
B8L      B8L '"3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AM' non-polymer        77  41 .
B8M      B8M '(8E,10Z)-HEXADECA-8,10-DIEN-1-OL    ' non-polymer        47  17 .
B90      B90 'N-[4-(dimethylphosphoryl)phenyl]-9-[' non-polymer        54  32 .
B91      B91 '3-{(E)-2-[6-(cyclopropylamino)-9H-pu' non-polymer        66  41 .
B92      B92 '"(3S)-3-({[(5S,10aS)-2-{(2S)-4-carbo' non-polymer        76  43 .
B93      B93 '"(3S)-3-({[(5S)-2-{2-[(1H-benzimidaz' non-polymer        77  43 .
B94      B94 '"(3S)-3-({[(5S,8R)-2-(3-carboxypropy' non-polymer        69  41 .
B95      B95 'N-[2-(1H-benzimidazol-2-yl)ethyl]-2-' non-polymer        39  23 .
B96      B96 '1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL' non-polymer        76  39 .
B97      B97 '"(10R)-10-methyl-3-(6-methylpyridin-' non-polymer        45  27 .
B98      B98 '(3R)-3-(aminomethyl)-9-methoxy-1,2,3' non-polymer        34  19 .
B9A      B9A 'MACROCYCLIC-BIS-9-AMINO-ACRIDINE    ' non-polymer       116  58 .
B9D      B9D 'beta-L-sorbopyranosyl fluoride      ' non-polymer        23  12 .
B9M      B9M '(10E)-hexadec-10-en-12-yn-1-ol      ' non-polymer        45  17 .
BA1      BA1 'BALANOL                             ' non-polymer        65  40 .
BA2      BA2 '"5'-DEOXY-5'-(ETHYLAMINO)-8-{[4-({5-' non-polymer        84  42 .
BA3      BA3 'BIS(ADENOSINE)-5'-TRIPHOSPHATE      ' non-polymer        73  49 .
BA4      BA4 '"[[(3R,4R,5S,6R)-3-(butanoylamino)-4' non-polymer        50  27 .
BAA      BAA '(TERT-BUTYLOXYCARBONYL)-ALANYL-ALANY' non-polymer        39  18 .
BAB      BAB 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE' non-polymer        44  25 .
BAC      BAC 'N-(4-IODO-BENZYL)-FORMAMIDE         ' non-polymer        19  11 .
BA       BA  'BARIUM ION                          ' non-polymer         1   1 .
BAD      BAD '(1S)-2-amino-1-phenylethyl 6-O-beta-' non-polymer        63  32 .
BAF      BAF '(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO' non-polymer        39  18 .
BAG      BAG 'N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)ME' non-polymer        39  20 .
BAH      BAH 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer        45  27 .
BAI      BAI '(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZI' non-polymer        36  22 .
BAK      BAK 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer        42  26 .
BAL      BAL 'BETA-ALANINE                        ' non-polymer        12   6 .
BAM      BAM 'BENZAMIDINE                         ' non-polymer        18   9 .
BAN      BAN 'HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P' non-polymer        56  33 .
BAO      BAO 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer        40  26 .
BAP      BAP '1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROB' non-polymer        39  23 .
BAS      BAS 'N-(1-PHENYL-PROPYL)-FORMAMIDE       ' non-polymer        25  12 .
BAT      BAT '4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2' non-polymer        63  32 .
BAU      BAU '1-((2-HYDROXYETHOXY)METHYL)-5-BENZYL' non-polymer        36  20 .
BAV      BAV '(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[' non-polymer        84  35 .
BAX      BAX '4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL' non-polymer        48  32 .
BAY      BAY '.                                   ' non-polymer       162  80 .
BAZ      BAZ 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE' non-polymer        42  26 .
BB1      BB1 '"2-[(FORMYL-HYDROXY-AMINO)-METHYL]-H' non-polymer        54  23 .
BB2      BB2 'ACTINONIN                           ' non-polymer        62  27 .
BB3      BB3 '"3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2' non-polymer        45  28 .
BB6      BB6 '(2Z)-2-amino-3-sulfanylbut-2-enoic a' non-polymer        14   8 .
BB7      BB7 '(2Z)-2-amino-4-methoxy-3-sulfanylbut' non-polymer        18  10 .
BB9      BB9 '(2Z)-2-amino-3-sulfanylprop-2-enoic ' non-polymer        11   7 .
BBA      BBA '2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLO' non-polymer        56  28 .
BBB      BBB '1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BE' non-polymer        51  29 .
BBC      BBC '3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPR' non-polymer        28  12 .
BBF      BBF '1-bromo-2,3,4,5,6-pentafluorobenzene' non-polymer        12  12 .
BBH      BBH '"1-BENZYL-3-(4-METHOXY-BENZENESULFON' non-polymer        50  29 .
BBL      BBL 'N-[(BENZYLOXY)CARBONYL]-L-ALANINE   ' non-polymer        28  16 .
BBM      BBM '5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4' non-polymer        40  27 .
BBP      BBP '(5R)-3-tert-butyl-1-(6-chloro-1,3-be' non-polymer        36  20 .
BBQ      BBQ '"CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[' non-polymer        90  46 .
BBR      BBR '(3-bromo-2-oxo-propoxy)phosphonic ac' non-polymer        14  10 .
BBS      BBS '4-TERT-BUTYLBENZENESULFONIC ACID    ' non-polymer        28  14 .
BBT      BBT '2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIP' non-polymer        45  24 .
BBU      BBU '1-BROMOBUTANE                       ' non-polymer        14   5 .
BBX      BBX '1-BROMOETHANE                       ' non-polymer         8   3 .
BBZ      BBZ '2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METH' non-polymer        63  34 .
BC1      BC1 '3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLA' non-polymer        41  25 .
BC2      BC2 'MACBECIN                            ' non-polymer        82  40 .
BC3      BC3 '2-amino-7-(pyridin-3-ylmethyl)-3,5-d' non-polymer        29  18 .
BC6      BC6 '"(4E,8S,9R,10E,12S,13R,14S,16R)-13,2' non-polymer        78  36 .
BCA      BCA '4-HYDROXYBENZOYL COENZYME A         ' non-polymer        93  57 .
BCB      BCB 'BACTERIOCHLOROPHYLL B               ' non-polymer       138  66 .
BCC      BCC '(3S,6S,8aR)-6-amino-6-benzyl-5-oxooc' non-polymer        40  21 .
BC       BC  'BENZO[G]CHRYSENE                    ' non-polymer        43  25 .
BCD      BCD 'BETA-CYCLODEXTRIN                   ' non-polymer       147  77 .
BCE      BCE '(2Z)-N-biphenyl-4-yl-2-cyano-3-hydro' non-polymer        35  21 .
BCF      BCF '1-chloro-2,3,4,5,6-pentafluorobenzen' non-polymer        12  12 .
BCG      BCG '3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO' non-polymer        39  21 .
BCH      BCH '2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLE' non-polymer        32  12 .
BCL      BCL 'BACTERIOCHLOROPHYLL A               ' non-polymer       140  66 .
BCM      BCM 'BICYCLOMYCIN                        ' non-polymer        39  21 .
BCN      BCN 'BICINE                              ' non-polymer        23  11 .
BCO      BCO '.                                   ' non-polymer        91  53 .
BCP      BCP '2-BROMO-6-CHLORO-PURINE             ' non-polymer        13  11 .
BCQ      BCQ 'N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-' non-polymer        87  45 .
BCR      BCR 'BETA-CAROTENE                       ' non-polymer        96  40 .
BCS      BCS 'BENZYLCYSTEINE                      ' peptide            26  14 .
BCT      BCT 'BICARBONATE ION                     ' non-polymer         5   4 .
BCV      BCV 'D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-C' non-polymer        45  24 .
BCX      BCX 'BETA-3-CYSTEINE                     ' non-polymer        16   8 .
BCY      BCY 'CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZAN' non-polymer        29  14 .
BCZ      BCZ '"3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-G' non-polymer        50  23 .
BD0      BD0 '(1S,2R)-1-[(5-chloro-2,4-dihydroxyph' non-polymer        54  30 .
BD1      BD1 '3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIO' non-polymer        20  10 .
BD2      BD2 '3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-' non-polymer        61  35 .
BD3      BD3 'Nalpha-[(3-tert-butyl-1-methyl-1H-py' non-polymer        62  34 .
BD4      BD4 '6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROL' non-polymer        43  24 .
BD5      BD5 'N-[(benzyloxy)carbonyl]-D-tyrosyl-L-' non-polymer        80  46 .
BD6      BD6 'N-[(benzyloxy)carbonyl]-L-histidyl-N' non-polymer        85  48 .
BD7      BD7 'N-[(benzyloxy)carbonyl]-L-histidyl-N' non-polymer        82  46 .
BD8      BD8 'N-undecanoyl-L-histidyl-L-phenylalan' non-polymer       112  55 .
BD9      BD9 'N-undecanoyl-L-histidyl-L-histidyl-N' non-polymer       109  54 .
BDA      BDA '4-METHYLBENZYL-N-BIS[DAUNOMYCIN]    ' non-polymer       150  84 .
BDB      BDB '.                                   ' non-polymer        30  18 .
BDC      BDC 'BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETH' non-polymer       108  54 .
BDD      BDD 'BROMO-DODECANOL                     ' non-polymer        39  14 .
BDE      BDE 'N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYP' non-polymer        30  21 .
BDF      BDF 'BETA-D-FRUCTOPYRANOSE               ' non-polymer        24  12 .
BDG      BDG 'O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GL' pyranose           26  12 .
BDH      BDH 'L-BETA-ASPARTYLHISTIDINE            ' non-polymer        31  19 .
BDI      BDI '2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D' non-polymer        27  15 .
BDJ      BDJ '(2Z)-3-(3-chlorobenzyl)-2-imino-5,5-' non-polymer        31  17 .
BDK      BDK '"2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-' non-polymer        67  37 .
BDL      BDL 'N-(biphenyl-4-ylsulfonyl)-D-leucine ' non-polymer        44  24 .
BDM      BDM 'BRODIMOPRIM-4,6-DICARBOXYLATE       ' non-polymer        55  31 .
BDO      BDO '(2Z,5R)-3-(3-chlorobenzyl)-2-imino-5' non-polymer        40  20 .
BDP      BDP 'BETA-D-GLUCOPYRANURONIC ACID        ' pyranose           22  13 .
BDQ      BDQ '1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-i' non-polymer        60  32 .
BDR      BDR 'BETA-D-RIBOFURANOSYL                ' non-polymer        20  10 .
BDS      BDS '2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-' non-polymer        44  28 .
BDT      BDT '5-beta-DIHYDROTESTOSTERONE          ' non-polymer        51  21 .
BDU      BDU 'ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO' non-polymer        65  36 .
BDV      BDV '1-butyl-3-(4-{[(2Z,4R)-2-imino-4-met' non-polymer        61  28 .
BDW      BDW '(4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexyle' non-polymer        88  39 .
BDX      BDX '(2E,5R)-5-(2-cyclohexylethyl)-5-(cyc' non-polymer        56  23 .
BDY      BDY 'N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R' non-polymer        66  36 .
BE       BE  'Beryllium ion                       ' non-polymer         1   1 .
BE1      BE1 'N-BROMOACETYL-AMINOETHYL PHOSPHATE  ' non-polymer        19  12 .
BE2      BE2 '2-AMINOBENZOIC ACID                 ' non-polymer        16  10 .
BE3      BE3 'N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCAR' non-polymer        88  50 .
BE4      BE4 '"(2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUORO' non-polymer        88  52 .
BE5      BE5 '"(2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUORO' non-polymer        88  52 .
BE6      BE6 '"(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUORO' non-polymer        88  52 .
BE7      BE7 '(4-CARBOXYPHENYL)(CHLORO)MERCURY    ' non-polymer        15  11 .
BE8      BE8 '.                                   ' non-polymer        97  43 .
BEA      BEA '5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOT' non-polymer        21  13 .
BEB      BEB 'N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-' non-polymer        88  48 .
BEC      BEC '[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3' non-polymer        89  46 .
BED      BED 'N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCAR' non-polymer        88  50 .
BEE      BEE 'N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZY' non-polymer       104  54 .
BEF      BEF 'BERYLLIUM TRIFLUORIDE ION           ' non-polymer         4   4 .
BEG      BEG '2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOI' non-polymer        87  47 .
BEH      BEH '"2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXAN' non-polymer        83  45 .
BEI      BEI 'N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[' non-polymer        96  46 .
BEJ      BEJ 'N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL' non-polymer       108  56 .
BEK      BEK '2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAM' non-polymer        20  15 .
BEL      BEL '2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMIN' non-polymer        41  27 .
BEM      BEM 'beta-D-mannuronic acid              ' pyranose           22  13 .
BEN      BEN 'BENZAMIDINE                         ' non-polymer        17   9 .
BEO      BEO 'BUTENOIC ACID                       ' non-polymer        11   6 .
BEP      BEP '1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYL' non-polymer        61  27 .
BEQ      BEQ '"N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(' non-polymer        62  24 .
BER      BER 'BERBERINE                           ' non-polymer        43  25 .
BES      BES '2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRY' non-polymer        45  22 .
BET      BET 'TRIMETHYL GLYCINE                   ' non-polymer        19   8 .
BEU      BEU 'N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDRO' non-polymer        31  15 .
BEW      BEW '1-hydroxy-2-sulfanylpyridinium      ' non-polymer        14   8 .
BEY      BEY '"(2S)-3-[(R)-[(1S)-1-amino-3-phenylp' non-polymer        48  25 .
BEZ      BEZ 'BENZOIC ACID                        ' non-polymer        14   9 .
BF2      BF2 'BERYLLIUM DIFLUORIDE                ' non-polymer         3   3 .
BF4      BF4 'BERYLLIUM TETRAFLUORIDE ION         ' non-polymer         5   5 .
BF5      BF5 '"(3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-F' non-polymer        46  26 .
BFA      BFA '9-BROMO-PHENAZINE-1-CARBOXYLIC ACID ' non-polymer        40  23 .
BFB      BFB 'N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIM' non-polymer        40  20 .
BFC      BFC '(R)-3-HYDROXYTETRADECANAL           ' non-polymer        44  16 .
BFD      BFD 'ASPARTATE BERYLLIUM TRIFLUORIDE     ' peptide            18  13 .
BFF      BFF '3-[(4-bromo-2,6-difluorobenzyl)oxy]-' non-polymer        56  32 .
BFH      BFH '1-(carboxymethyl)-1H-benzo[g]indole-' non-polymer        29  20 .
BFI      BFI '"2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-' non-polymer        39  28 .
BFL      BFL '.                                   ' non-polymer        30  17 .
BFN      BFN '"5-(acetylamino)-2,6-anhydro-3,5,9-t' non-polymer        51  29 .
BFQ      BFQ 'IBANDRONATE                         ' non-polymer        42  19 .
BFS      BFS 'N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO ' non-polymer        33  20 .
BFT      BFT 'S-BENZOYLTHIAMINE O-MONOPHOSPHATE   ' non-polymer        54  31 .
BFU      BFU '1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLU' non-polymer        43  26 .
BFX      BFX '4-{4-[3-(2-bromo-5-fluorophenoxy)pro' non-polymer        69  38 .
BG1      BG1 'O-[(2S)-2-{methyl[(methylamino)sulfo' peptide            40  20 .
BG3      BG3 '3-METHYL-5-SULFO-PYRROLIDINE-2-CARBO' non-polymer        23  13 .
BG4      BG4 '5-(HYDROXY-METHYL-AMINO)-3-METHYL-PY' non-polymer        25  12 .
BG5      BG5 '5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-' non-polymer        22  11 .
BG6      BG6 'BETA-D-GLUCOSE-6-PHOSPHATE          ' non-polymer        27  16 .
BGC      BGC 'BETA-D-GLUCOSE                      ' pyranose           24  12 .
BGD      BGD 'N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DI' non-polymer        87  54 .
BGF      BGF '2,5-BIS(4-GUANYLPHENYL)FURAN        ' non-polymer        41  23 .
BGG      BGG 'CARBONIC ACID MONOBENZYL ESTER      ' non-polymer        19  11 .
BGL      BGL 'B-2-OCTYLGLUCOSIDE                  ' pyranose           48  20 .
BGM      BGM '8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHO' DNA                35  24 .
BGN      BGN 'N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRA' non-polymer        36  17 .
BGP      BGP 'BETA-GALACTOSE-6-PHOSPHATE          ' pyranose           27  16 .
BGS      BGS 'BETA-D-GLUCOPYRANOSYLSULFONYLETHANE ' pyranose           32  16 .
BGT      BGT 'TERT-BUTYL D-ALPHA-GLUTAMINATE      ' non-polymer        32  14 .
BGU      BGU '2,6-diamino-1,7-dihydro-8H-imidazo[4' non-polymer        24  16 .
BGX      BGX '4-METHYL-PYRROLINE-5-CARBOXYLIC ACID' non-polymer        17   9 .
BH0      BH0 '3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HY' non-polymer        73  43 .
BH1      BH1 'BACTERIOPHEOPHYTIN                  ' non-polymer       143  65 .
BH7      BH7 'E-AMINO BIOTINYL CAPROIC ACID       ' non-polymer        50  24 .
BHA      BHA '2-HYDROXY-4-AMINOBENZOIC ACID       ' non-polymer        17  11 .
BHB      BHB '2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLS' non-polymer        39  20 .
BHC      BHC 'BENZENE HEXACARBOXYLIC ACID         ' non-polymer        24  24 .
BHD      BHD 'BETA-HYDROXYASPARTIC ACID           ' peptide            15  10 .
BHE      BHE 'octyl 2-O-(6-deoxy-alpha-L-galactopy' non-polymer        68  30 .
BHF      BHF '2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE   ' non-polymer        33  21 .
BHG      BHG '2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDR' pyranose           42  18 .
BHH      BHH 'N-BUTYL-N'-HYDROXYGUANIDINE         ' non-polymer        22   9 .
BHI      BHI '4-BROMO-3-HYDROXY-3-METHYL BUTYL DIP' non-polymer        26  16 .
BHK      BHK '(2R)-2-benzyl-5-hydroxy-4-oxopentano' non-polymer        29  16 .
BHL      BHL '6-BROMOHEXAN-1-OL                   ' non-polymer        21   8 .
BHM      BHM '(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-' non-polymer        31  21 .
BHO      BHO 'BENZHYDROXAMIC ACID                 ' non-polymer        17  10 .
BHP      BHP '(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHEN' non-polymer        72  36 .
BHQ      BHQ '2,5-DITERT-BUTYLBENZENE-1,4-DIOL    ' non-polymer        38  16 .
BHS      BHS '6S-5,6,7,8-TETRAHYDROBIOPTERIN      ' non-polymer        32  17 .
BHT      BHT 'N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PH' non-polymer        82  52 .
BHX      BHX '(2S)-2-{[(S)-(2-carboxyethyl)(hydrox' non-polymer        30  18 .
BHY      BHY 'N,N'-[biphenyl-4,4'-diyldi(2R)propan' non-polymer        56  28 .
BI1      BI1 '3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-IN' non-polymer        55  31 .
BI2      BI2 '3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-ME' non-polymer        59  33 .
BI3      BI3 '3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-' non-polymer        49  29 .
BI4      BI4 '3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLP' non-polymer        59  33 .
BI5      BI5 '4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZ' non-polymer        39  23 .
BI6      BI6 '(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6' non-polymer        70  36 .
BI7      BI7 '3-[(3AS,4R,8AS,8BR)-4-[5-(5-CHLORO-2' non-polymer        59  31 .
BI8      BI8 '3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-' non-polymer        52  30 .
BI9      BI9 '2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOL' non-polymer        58  33 .
BIA      BIA '"1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{' non-polymer        51  31 .
BIB      BIB 'BETA-AMINO ISOBUTYRATE              ' non-polymer        15   7 .
BIC      BIC '3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0' non-polymer        39  20 .
BID      BID 'BISTRAMIDE A                        ' non-polymer       118  50 .
BIE      BIE '(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL' non-polymer        28  19 .
BIF      BIF '(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PR' peptide            32  18 .
BIG      BIG '(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d' non-polymer        48  23 .
BIH      BIH 'NAPHTHALENE-2,6-DISULFONIC ACID     ' non-polymer        26  18 .
BII      BII '2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4' non-polymer        69  37 .
BIJ      BIJ '7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4' non-polymer        63  35 .
BIK      BIK '3,7-DIHYDROXY-2-NAPHTHOIC ACID      ' non-polymer        22  15 .
BIL      BIL '(3R,4S)-3-amino-4-methylhexanoic aci' non-polymer        24  10 .
BIM      BIM 'BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE ' non-polymer        74  41 .
BIN      BIN '2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-' non-polymer        47  28 .
BIO      BIO 'BIOPTERIN                           ' non-polymer        28  17 .
BIP      BIP '2-BENZYL-3-IODOPROPANOIC ACID       ' non-polymer        23  13 .
BIQ      BIQ '"BENZYL [12-(2-AMINO-2-OXOETHYL)-4-N' non-polymer        84  48 .
BIR      BIR '"N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPH' non-polymer        55  29 .
BIS      BIS '1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOS' non-polymer        60  39 .
BIT      BIT '(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HY' non-polymer        38  22 .
BIU      BIU '5-bromo-L-isoleucine                ' peptide            21  10 .
BIV      BIV '"21-NOR-9,10-SECOCHOLESTA-5,7,10(19)' non-polymer        90  36 .
BIW      BIW '"1-[2-(4-carboxypiperidin-1-yl)-2-ox' non-polymer        63  35 .
BIX      BIX '"(2S)-2-{[(S)-[(3S)-3-amino-3-carbox' non-polymer        35  20 .
BIY      BIY '(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4' non-polymer        23  14 .
BIZ      BIZ 'BIZELESIN                           ' non-polymer        94  56 .
BJ1      BJ1 '"(1R,2S)-1-[(1S)-1,2-dihydroxyethyl]' non-polymer        43  22 .
BJC      BJC '(1R,3S)-N-[(1S,2R)-1-benzyl-2-hydrox' non-polymer        92  41 .
BJH      BJH '1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDR' non-polymer        32  19 .
BJI      BJI '1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)' non-polymer        31  18 .
BJM      BJM '(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S' non-polymer        48  23 .
BJP      BJP '(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYP' non-polymer        41  24 .
BJZ      BJZ '"6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5' non-polymer        55  37 .
BK1      BK1 '1-(1-methylethyl)-3-(naphthalen-1-yl' non-polymer        43  24 .
BK2      BK2 '1-tert-butyl-3-naphthalen-2-yl-1H-py' non-polymer        43  24 .
BK3      BK3 '3-(naphthalen-1-ylmethyl)-1-(piperid' non-polymer        52  28 .
BL0      BL0 '1-[5-(dimethylamino)-1,3,4-thiadiazo' non-polymer        23  13 .
BL1      BL1 '4-chloro-N-[(2S)-2-methyl-2,3-dihydr' non-polymer        40  24 .
BL3      BL3 '.                                   ' non-polymer        75  43 .
BL4      BL4 '(3aS)-3a-hydroxy-5-methyl-1-phenyl-1' non-polymer        38  22 .
BL5      BL5 '.                                   ' non-polymer       112  50 .
BL6      BL6 '(3aS)-3a-hydroxy-7-methyl-1-phenyl-1' non-polymer        38  22 .
BL7      BL7 '(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-t' non-polymer        35  21 .
BLA      BLA 'BILIVERDINE IX ALPHA                ' non-polymer        75  43 .
BLB      BLB 'BLEOMYCIN B2                        ' non-polymer       183  98 .
BLE      BLE 'LEUCINE BORONIC ACID                ' non-polymer        23   9 .
BLG      BLG '4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMIN' non-polymer        65  35 .
BLI      BLI '"4-OXO-2-PHENYLMETHANESULFONYL-OCTAH' non-polymer        66  34 .
BLL      BLL '"(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BI' non-polymer        92  48 .
BLM      BLM 'BLEOMYCIN A2                        ' non-polymer       181  96 .
BLN      BLN '"MORPHOLINE-4-CARBOXYLIC ACID [1S-(2' non-polymer        59  29 .
BLO      BLO '1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IM' non-polymer        54  30 .
BLP      BLP '"(5-HYDROXY-6-METHYL-4-((2-(2-(2-NIT' non-polymer        50  32 .
BLQ      BLQ '"(3E)-3-({4-[(2-carboxyethyl)carbamo' non-polymer        39  26 .
BLS      BLS 'BLASTICIDIN S                       ' non-polymer        55  30 .
BLT      BLT '"1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDR' non-polymer        39  20 .
BLV      BLV 'BILIVERDIN IX GAMMA CHROMOPHORE     ' non-polymer        75  43 .
BLY      BLY 'LYSINE BORONIC ACID                 ' non-polymer        26  10 .
BLZ      BLZ '5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZO' non-polymer        51  31 .
BM1      BM1 '(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYD' non-polymer        35  20 .
BM2      BM2 '"S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMIN' non-polymer        67  35 .
BM3      BM3 '2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANN' non-polymer        30  15 .
BM4      BM4 '3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3' non-polymer        99  41 .
BM5      BM5 '"(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DI' non-polymer        38  23 .
BM6      BM6 '"4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-T' non-polymer        55  28 .
BM9      BM9 '[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[' non-polymer        71  37 .
BMA      BMA 'BETA-D-MANNOSE                      ' pyranose           24  12 .
BMD      BMD 'BUTYRAMIDE                          ' non-polymer        15   6 .
BME      BME 'BETA-MERCAPTOETHANOL                ' non-polymer        10   4 .
BMG      BMG '(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1' non-polymer        44  24 .
BMH      BMH '"5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-' non-polymer        46  25 .
BMI      BMI '3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-' non-polymer        49  30 .
BML      BML '4-BROMOPHENOL                       ' non-polymer        13   8 .
BMM      BMM 'BROMOMETHANE                        ' non-polymer         5   2 .
BMO      BMO 'N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAM' non-polymer        68  37 .
BMP      BMP '6-HYDROXYURIDINE-5'-PHOSPHATE       ' RNA                33  22 .
BMQ      BMQ '.                                   ' non-polymer        33  22 .
BMS      BMS '.                                   ' non-polymer        59  34 .
BMT      BMT '4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHY' M-peptide          32  14 .
BMU      BMU '1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-' non-polymer        40  21 .
BMV      BMV '3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-' non-polymer        57  34 .
BMY      BMY 'BALHIMYCIN                          ' non-polymer       176 102 .
BMZ      BMZ '2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZO' non-polymer        32  19 .
BN1      BN1 '"(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHY' non-polymer        27  18 .
BN2      BN2 '"7-[2,6-DICHLORO-4-({[(2-CHLOROBENZO' non-polymer        51  31 .
BN3      BN3 '"4-[3-CHLORO-4-({[(2,4-DICHLOROBENZO' non-polymer        42  28 .
BN4      BN4 '"4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]' non-polymer        48  29 .
BN5      BN5 '"5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]' non-polymer        48  29 .
BN6      BN6 '"(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-B' non-polymer       101  50 .
BNA      BNA 'BIS-(NAPHTHYL-1-METHYL) ACETIC ACID ' non-polymer        45  26 .
BND      BND 'ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC ' non-polymer        55  30 .
BNE      BNE '2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-' non-polymer        68  35 .
BNF      BNF 'N-BENZYLFORMAMIDE                   ' non-polymer        19  10 .
BNG      BNG 'B-NONYLGLUCOSIDE                    ' pyranose           51  21 .
BNH      BNH '"[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCA' non-polymer       100  50 .
BNI      BNI '"5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMI' non-polymer        45  25 .
BNL      BNL 'BIPHENYL                            ' non-polymer        22  12 .
BNN      BNN 'ACETYL-P-AMIDINOPHENYLALANINE       ' non-polymer        32  18 .
BNO      BNO 'NORLEUCINE BORONIC ACID             ' non-polymer        23   9 .
BNP      BNP '(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]P' non-polymer        71  36 .
BNR      BNR 'BIS-DAUNORUBICIN                    ' non-polymer       150  84 .
BNS      BNS 'benzenesulfonic acid                ' non-polymer        16  10 .
BNT      BNT '2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZ' non-polymer        24  14 .
BNZ      BNZ 'BENZENE                             ' non-polymer        12   6 .
BO1      BO1 'N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-G' non-polymer        40  22 .
BO2      BO2 'N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLB' non-polymer        53  28 .
BO3      BO3 'BORIC ACID                          ' non-polymer         7   4 .
BO4      BO4 'BORATE ION                          ' non-polymer         9   5 .
BO8      BO8 '(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHY' non-polymer        37  18 .
BO9      BO9 'N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2' non-polymer        81  41 .
BOA      BOA '2-BROMO-6-HYDROXY-PURINE            ' non-polymer        14  11 .
BOB      BOB '"(S)-2-amino-5-((R)-1-(carboxymethyl' non-polymer        64  31 .
BOC      BOC 'TERT-BUTYL HYDROGEN CARBONATE       ' non-polymer        18   8 .
BOE      BOE '.                                   ' DNA                55  32 .
BOG      BOG 'B-OCTYLGLUCOSIDE                    ' pyranose           48  20 .
BOM      BOM 'HEXADECA-10,12-DIEN-1-OL            ' non-polymer        47  17 .
BON      BON 'N-[4-(4,4,5,5-tetramethyl-1,3,2-diox' non-polymer        39  20 .
BOP      BOP '1-BROMO-4-METHOXYBENZENE            ' non-polymer        16   9 .
BOR      BOR '(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)MET' non-polymer        27  12 .
BOS      BOS 'N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAP' non-polymer        32  20 .
BOW      BOW 'octyl sulfamate                     ' non-polymer        32  13 .
BOZ      BOZ 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANO' non-polymer        45  27 .
BP1      BP1 '6-BROMO-7H-PURINE                   ' non-polymer        13  10 .
BP2      BP2 '(+)-BORNYL DIPHOSPHATE              ' non-polymer        36  19 .
BP3      BP3 '2'-CHLORO-BIPHENYL-2,3-DIOL         ' non-polymer        24  15 .
BP4      BP4 'biphenyl-4-ylacetic acid            ' non-polymer        27  16 .
BP5      BP5 '3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE   ' non-polymer        30  18 .
BP6      BP6 '2',6'-DICHLORO-BIPHENYL-2,6-DIOL    ' non-polymer        24  16 .
BP7      BP7 '1,1'-BIPHENYL-3,4-DIOL              ' non-polymer        24  14 .
BPA      BPA '7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHY' non-polymer        39  23 .
BPB      BPB 'BACTERIOPHEOPHYTIN B                ' non-polymer       141  65 .
BPD      BPD 'N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZ' non-polymer        40  30 .
BPE      BPE '(2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFA' non-polymer        26  10 .
BPF      BPF '2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}F' non-polymer        49  27 .
BPG      BPG '9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE ' non-polymer        39  22 .
BPH      BPH 'BACTERIOPHEOPHYTIN A                ' non-polymer       141  65 .
BPI      BPI '(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHEN' non-polymer        37  21 .
BPJ      BPJ '(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHEN' non-polymer        37  21 .
BPL      BPL '1-BENZO[A]PYREN-6-YL-3-METHYL-UREA  ' non-polymer        41  25 .
BPM      BPM '4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOS' non-polymer        33  23 .
BPN      BPN 'PARANITROBENZYL ALCOHOL             ' non-polymer        18  11 .
BPO      BPO '3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-B' non-polymer        63  35 .
BPP      BPP '(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINO' non-polymer        52  27 .
BPQ      BPQ '"tert-butyl [(2-amino-4-oxo-4,7-dihy' non-polymer        37  20 .
BPR      BPR '(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-' non-polymer        32  15 .
BPS      BPS '.                                   ' non-polymer        25  15 .
BPT      BPT 'BIS(TRANS-PLATINUM ETHYLENEDIAMINE D' non-polymer        38  14 .
BPU      BPU '7-bromopyrrolo[1,2-a]quinoxalin-4(5H' non-polymer        22  15 .
BPV      BPV 'Bromopyruvate                       ' non-polymer         9   7 .
BPX      BPX '(2R)-4,4-dihydroxy-5-nitro-2-(phenyl' non-polymer        33  19 .
BPY      BPY 'BIPHENYL-2,3-DIOL                   ' non-polymer        24  14 .
BPZ      BPZ '4,4'-cyclohexane-1,1-diyldiphenol   ' non-polymer        40  20 .
BQM      BQM '3-({4-[(1E)-3-morpholin-4-yl-3-oxopr' non-polymer        50  32 .
BQN      BQN '4-{(2E)-3-[4-{[2-(pyridin-3-ylmethox' non-polymer        61  39 .
BR3      BR3 '(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-Y' non-polymer        29  15 .
BR4      BR4 '6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMI' non-polymer        61  29 .
BR5      BR5 '2-ETHOXYETHYLPHOSPHINATE            ' non-polymer        18   8 .
BR6      BR6 '(E)-4-((4-bromophenylimino)methyl)be' non-polymer        30  18 .
BRA      BRA '"9-[4-(n,n-dimethylamino)phenylamino' non-polymer        87  44 .
BRB      BRB 'PARA-BROMOBENZYL ALCOHOL            ' non-polymer        16   9 .
BRC      BRC '12-BROMODODECANOIC ACID             ' non-polymer        37  15 .
BR       BR  'BROMIDE ION                         ' non-polymer         1   1 .
BRD      BRD '1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE' non-polymer        31  17 .
BRE      BRE '2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QU' non-polymer        42  27 .
BRF      BRF '.                                   ' non-polymer        42  28 .
BRG      BRG '8-BROMOGUANINE                      ' non-polymer        16  12 .
BRH      BRH '(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISO' non-polymer        19  13 .
BRJ      BRJ '2-BROMOETHANOL                      ' non-polymer         9   4 .
BRK      BRK '{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IM' non-polymer        42  25 .
BRL      BRL '"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(M' non-polymer        44  25 .
BRN      BRN 'BERENIL                             ' non-polymer        36  21 .
BRP      BRP '2-BROMO-2-PROPENE-1-OL              ' non-polymer        10   5 .
BRQ      BRQ '{[4-AMINO-2-(3-CHLOROANILINO)-1,3-TH' non-polymer        35  23 .
BRR      BRR '(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL' non-polymer        27  13 .
BRS      BRS '2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DI' non-polymer        33  22 .
BRT      BRT '5-BROMONICOTINAMIDE                 ' non-polymer        15  10 .
BRU      BRU '5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSP' DNA                31  21 .
BRV      BRV '5-amino-2,4,6-tribromobenzene-1,3-di' non-polymer        18  16 .
BRW      BRW '6-BROMOINDIRUBIN-3'-OXIME           ' non-polymer        32  22 .
BRX      BRX 'BROMAMPHENICOL                      ' non-polymer        32  20 .
BRY      BRY '.                                   ' non-polymer        30  21 .
BRZ      BRZ '6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1' non-polymer        45  23 .
BS1      BS1 '(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[' non-polymer        56  26 .
BS2      BS2 '(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DI' non-polymer        63  31 .
BSA      BSA '2-(BENZOYLAMINO)ETHANESULFONIC ACID ' non-polymer        26  15 .
BSB      BSB 'N-BENZYL-4-SULFAMOYL-BENZAMIDE      ' non-polymer        34  20 .
BSC      BSC '(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFI' non-polymer        33  14 .
BSD      BSD '"N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3' non-polymer        89  47 .
BSE      BSE 'BETA-3-SERINE                       ' non-polymer        16   8 .
BSF      BSF '{[(benzylsulfonyl)amino]methyl}boron' non-polymer        27  15 .
BSG      BSG '4-({[(dihydroxyboranyl)methyl]sulfam' non-polymer        29  18 .
BSH      BSH '3-[(2R)-2-[(benzylsulfonyl)amino]-2-' non-polymer        42  25 .
BSI      BSI '2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETR' non-polymer        46  28 .
BSJ      BSJ '.                                   ' non-polymer       132  74 .
BSM      BSM '5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-E' non-polymer        45  27 .
BSO      BSO 'BIOTIN-D-SULFOXIDE                  ' non-polymer        32  17 .
BSP      BSP '.                                   ' non-polymer        44  36 .
BST      BST '"6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHY' non-polymer        58  31 .
BSU      BSU '1,3-DIPHENYLUREA                    ' non-polymer        28  16 .
BT1      BT1 '{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHE' non-polymer        74  39 .
BT2      BT2 '"3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BEN' non-polymer        76  38 .
BT3      BT3 '"3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BEN' non-polymer        76  39 .
BT5      BT5 'BIOTINYL-5-AMP                      ' non-polymer        65  38 .
BT6      BT6 'benzenethiol                        ' non-polymer        13   7 .
BTB      BTB '2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HY' non-polymer        33  14 .
BTD      BTD '5-BROMOTHIENYLDEOXYURIDINE          ' non-polymer        35  22 .
BTF      BTF '.                                   ' non-polymer        66  39 .
BTH      BTH '"4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO' non-polymer        71  41 .
BTI      BTI '5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]I' non-polymer        31  15 .
BTK      BTK 'N~6~-butanoyl-L-lysine              ' peptide            34  15 .
BTL      BTL 'BETAINE ALDEHYDE                    ' non-polymer        19   7 .
BTM      BTM 'N-benzyl-N,N-diethylethanaminium    ' non-polymer        36  14 .
BTN      BTN 'BIOTIN                              ' non-polymer        31  16 .
BTO      BTO '4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL' non-polymer        30  20 .
BTP      BTP '2-THIOMETHYL-3-PHENYLPROPANOIC ACID ' non-polymer        24  13 .
BTQ      BTQ 'EPI-BIOTIN                          ' non-polymer        31  16 .
BTR      BTR '6-BROMO-TRYPTOPHAN                  ' peptide            26  16 .
BTS      BTS '3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESU' non-polymer        28  17 .
BTT      BTT 'BENZENE-1,2,4,5-TETROL              ' non-polymer        16  10 .
BTW      BTW '(2S,3R)-2-benzyl-3-sulfanylbutanoic ' non-polymer        27  14 .
BTX      BTX '"((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        66  37 .
BTY      BTY '4-amino-7-methylpyrazolo[1,5-a][1,3,' non-polymer        19  12 .
BTZ      BTZ 'N-(4-{[amino(imino)methyl]amino}buty' non-polymer        37  21 .
BU1      BU1 '1,4-BUTANEDIOL                      ' non-polymer        16   6 .
BU2      BU2 '1,3-BUTANEDIOL                      ' non-polymer        16   6 .
BU3      BU3 '(R,R)-2,3-BUTANEDIOL                ' non-polymer        16   6 .
BU4      BU4 '(3R)-butane-1,3-diol                ' non-polymer        16   6 .
BUA      BUA 'BUTANOIC ACID                       ' non-polymer        13   6 .
BUB      BUB '1-BUTANE BORONIC ACID               ' non-polymer        18   7 .
BUC      BUC 'S,S-BUTYLTHIOCYSTEINE               ' peptide            26  12 .
BUG      BUG '3-methyl-L-valine                   ' non-polymer        21   9 .
BUI      BUI '(3R)-3-{[(TETRADECYLAMINO)CARBONYL]A' non-polymer        73  28 .
BUJ      BUJ '(3R)-3-(hexadecanoylamino)-4-(trimet' non-polymer        74  28 .
BUK      BUK 'N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]' non-polymer        85  43 .
BUL      BUL 'BULGECIN A                          ' non-polymer        64  35 .
BUM      BUM '2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE   ' non-polymer        26  10 .
BUQ      BUQ '4-HYDROXY-2-BUTANONE                ' non-polymer        14   6 .
BV1      BV1 '.                                   ' non-polymer       152  80 .
BV2      BV2 '1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACT' non-polymer       163  84 .
BV3      BV3 '1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALAC' non-polymer       195 104 .
BV4      BV4 '1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(' non-polymer       249 126 .
BVA      BVA 'TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO' non-polymer        23  14 .
BVC      BVC '1-THIEN-3-YLMETHANAMINE             ' non-polymer        14   7 .
BVD      BVD '5-BROMOVINYLDEOXYURIDINE            ' non-polymer        32  19 .
BVF      BVF '4-METHYLPYRIDIN-2-AMINE             ' non-polymer        16   8 .
BVG      BVG '1H-IMIDAZOL-2-YLMETHANOL            ' non-polymer        13   7 .
BVL      BVL '(2E)-1-[2-hydroxy-4-methoxy-5-(3-met' non-polymer        47  25 .
BVP      BVP '(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE' non-polymer        35  23 .
BW2      BW2 '"N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQU' non-polymer        51  34 .
BWD      BWD '2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIH' non-polymer        22  15 .
BWP      BWP '(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMID' non-polymer        53  29 .
BX1      BX1 '1-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        51  28 .
BX2      BX2 '(5S)-2-amino-5-(2,6-diethylpyridin-4' non-polymer        54  30 .
BX3      BX3 '"(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERID' non-polymer        63  34 .
BXB      BXB 'N-(1,3-benzodioxol-5-ylmethyl)-2,6-d' non-polymer        32  21 .
BXC      BXC '(3R,7R,11R)-3,7,11,15-tetramethylhex' non-polymer        80  30 .
BXO      BXO '(1Z)-butanal oxime                  ' non-polymer        15   6 .
BXP      BXP 'BETA-D-XYLOBIOPYRANOSE              ' non-polymer        36  18 .
BXX      BXX 'beta-D-arabinofuranose              ' non-polymer        20  10 .
BXY      BXY 'alpha-D-arabinofuranose             ' non-polymer        20  10 .
BXZ      BXZ '4-bromo-6-(6-hydroxy-1,2-benzisoxazo' non-polymer        27  19 .
BY6      BY6 '.                                   ' non-polymer       199 103 .
BYA      BYA 'N-(phenylcarbonyl)-beta-alanine     ' non-polymer        24  14 .
BYE      BYE '1-(2-methylphenyl)-6-[(2S)-3,3,3-tri' non-polymer        39  24 .
BYG      BYG 'L-gamma-glutamyl-S-{(4R)-4-[(6-hydro' non-polymer        70  40 .
BYM      BYM '(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXO' non-polymer        24  19 .
BYP      BYP '(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMID' non-polymer        53  29 .
BYS      BYS '2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZ' non-polymer        41  25 .
BZ1      BZ1 '(+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METH' non-polymer        44  23 .
BZ2      BZ2 '1-benzofuran-2-carboxylic acid      ' non-polymer        17  12 .
BZ3      BZ3 '5-methoxy-1H-indole                 ' non-polymer        20  11 .
BZ9      BZ9 'N-[3-methyl-4-({3-[2-(methylamino)py' non-polymer        59  36 .
BZA      BZA '1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHR' non-polymer        37  21 .
BZB      BZB 'BENZO[B]THIOPHENE-2-BORONIC ACID    ' non-polymer        19  12 .
BZC      BZC '.                                   ' non-polymer        33  20 .
BZD      BZD '.                                   ' non-polymer        41  23 .
BZF      BZF 'BENZOFURAN                          ' non-polymer        15   9 .
BZG      BZG '"6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPH' non-polymer        48  30 .
BZH      BZH '5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMI' non-polymer        32  19 .
BZI      BZI 'BENZIMIDAZOLE                       ' non-polymer        15   9 .
BZM      BZM 'BENZOIC ACID PHENYLMETHYLESTER      ' non-polymer        28  16 .
BZN      BZN 'N-({(3R,4R)-4-[(benzyloxy)methyl]pyr' non-polymer        61  29 .
BZP      BZP 'N1-CARBOXYPIPERAZINE                ' non-polymer        19   9 .
BZQ      BZQ 'DIPHENYLMETHANONE                   ' non-polymer        24  14 .
BZR      BZR '1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHR' non-polymer        37  21 .
BZS      BZS 'L-BENZYLSUCCINIC ACID               ' non-polymer        25  15 .
BZT      BZT '3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-B' non-polymer        73  38 .
BZU      BZU '"(4R)-2-(2-ethoxyethyl)-4-(ethylamin' non-polymer        44  23 .
BZZ      BZZ 'BENZYLHYDRAZINE                     ' non-polymer        19   9 .
C00      C00 '2-(4-hydroxybiphenyl-3-yl)-4-methyl-' non-polymer        40  25 .
C01      C01 '(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3' non-polymer        61  31 .
C02      C02 '4-(5-BENZENESULFONYLAMINO-1-METHYL-1' non-polymer        51  30 .
C03      C03 '"(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1' non-polymer        61  40 .
C08      C08 'difluoro(5-{2-[(5-octyl-1H-pyrrol-2-' non-polymer        59  29 .
C0E      C0E '3-fluoro-6-(4-fluorophenyl)-2-hydrox' non-polymer        25  18 .
C0M      C0M 'N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPA' non-polymer        62  34 .
C0P      C0P '4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHO' non-polymer        42  25 .
C0R      C0R 'CORTICOSTERONE                      ' non-polymer        55  25 .
C0Y      C0Y '(3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHO' non-polymer        40  19 .
C10      C10 'HEXAETHYLENE GLYCOL MONODECYL ETHER ' non-polymer        75  29 .
C11      C11 'UNDECYL-PHOSPHINIC ACID BUTYL ESTER ' non-polymer        51  18 .
C12      C12 '"2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HY' non-polymer        40  22 .
C14      C14 'TETRADECANE                         ' non-polymer        44  14 .
C15      C15 'N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-P' non-polymer        60  22 .
C16      C16 '4-(4-methyl-1,3-dioxo-1,3-dihydro-2H' non-polymer        30  20 .
C17      C17 '7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHR' non-polymer        33  22 .
C18      C18 '7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAM' non-polymer        39  23 .
C19      C19 '3-(2-aminoquinazolin-6-yl)-1-(3,3-di' non-polymer        53  30 .
C1A      C1A '1,4-BIS-{[N-(1-IMINO-1GUANIDINO-METH' non-polymer        46  24 .
C1B      C1B '.                                   ' non-polymer        61  39 .
C1C      C1C '.                                   ' non-polymer        38  26 .
C1D      C1D '1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL' non-polymer        61  31 .
C1E      C1E '(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-p' non-polymer        25  17 .
C1F      C1F '3-CARBOXY-4-METHYL-5-PROPYL-2-FURANP' non-polymer        31  17 .
C1M      C1M '1-(4-CHLOROPHENYL)-1H-TETRAZOLE     ' non-polymer        17  12 .
C1N      C1N 'N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-[' non-polymer        80  40 .
C1O      C1O 'CU-O LINKAGE                        ' non-polymer         2   2 .
C1P      C1P 'N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-[' non-polymer        74  37 .
C1Q      C1Q 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       121  50 .
C1R      C1R '4-PIPERIDINEBUTYRATE                ' non-polymer        28  11 .
C1T      C1T 'S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,' peptide            30  18 .
C1X      C1X '"(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL' peptide            48  25 .
C20      C20 'ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHO' non-polymer        92  41 .
C21      C21 'THIOPHENE-2-CARBOXYLIC ACID         ' non-polymer        11   8 .
C24      C24 '"3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO' non-polymer        66  37 .
C26      C26 '(2R)-2-ETHYL-1-HEXANESULFONIC ACID  ' non-polymer        31  13 .
C27      C27 '"(6R)-2-amino-6-[2-(3'-methoxybiphen' non-polymer        51  26 .
C28      C28 'N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MO' non-polymer        58  32 .
C2A      C2A '1-(3-CHLOROPHENYL)METHANAMINE       ' non-polymer        17   9 .
C2B      C2B '1-(4-CHLOROPHENYL)METHANAMINE       ' non-polymer        17   9 .
C2C      C2C 'CU-CL-CU LINKAGE                    ' non-polymer         3   3 .
C2D      C2D '6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHI' non-polymer        62  31 .
C2E      C2E '.                                   ' non-polymer        68  46 .
C2F      C2F '5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACI' non-polymer        56  33 .
C2G      C2G '.                                   ' non-polymer        49  30 .
C2L      C2L '.                                   ' RNA                46  26 .
C2M      C2M '5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIM' non-polymer        27  17 .
C2N      C2N 'B-CHLORO-D-ALANINE                  ' non-polymer        13   7 .
C2O      C2O 'CU-O-CU LINKAGE                     ' non-polymer         3   3 .
C2P      C2P 'CYTIDINE-2'-MONOPHOSPHATE           ' non-polymer        33  21 .
C2R      C2R '5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBO' non-polymer        33  22 .
C2S      C2S 'CYTIDINE-5'-DITHIOPHOSPHORATE       ' non-polymer        34  20 .
C2U      C2U '3,5-dichloro-2-hydroxybenzoic acid  ' non-polymer        15  12 .
C2X      C2X '.                                   ' non-polymer       173 106 .
C31      C31 '.                                   ' non-polymer        44  25 .
C33      C33 '2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVIT' non-polymer        83  33 .
C34      C34 'N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOP' DNA                35  21 .
C35      C35 'N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1' non-polymer       106  55 .
C36      C36 '5-METHYL-5-FLUORO-2'-DEOXY-CYTIDINE-' non-polymer        38  23 .
C37      C37 '5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPH' non-polymer        32  21 .
C38      C38 '5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOS' non-polymer        32  21 .
C39      C39 'N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMI' non-polymer        82  35 .
C3A      C3A '"ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-' non-polymer        76  41 .
C3B      C3B '4-amino-1-beta-D-glucopyranosylpyrim' non-polymer        34  19 .
C3D      C3D '(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-' non-polymer        62  31 .
C3M      C3M 'N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENY' non-polymer        48  26 .
C3O      C3O '2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVI' non-polymer        84  34 .
C3P      C3P 'CYTIDINE-3'-MONOPHOSPHATE           ' non-polymer        33  21 .
C3Q      C3Q 'N-[8-({[5-(dimethylamino)naphthalen-' non-polymer        89  40 .
C3S      C3S 'CHOLEST-5-EN-3-YL HYDROGEN SULFATE  ' non-polymer        78  32 .
C3X      C3X '2,3-EPOXYPROPYL-BETA-D-XYLOSIDE     ' pyranose           28  14 .
C3Y      C3Y 'S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ET' peptide            23  12 .
C40      C40 'N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMI' non-polymer        76  33 .
C41      C41 'ALISKIREN                           ' non-polymer        92  39 .
C42      C42 '3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPH' non-polymer        33  20 .
C43      C43 '2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOP' non-polymer        43  25 .
C44      C44 'N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S' non-polymer        84  42 .
C45      C45 'N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONO' non-polymer        36  22 .
C46      C46 '6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2' non-polymer        37  23 .
C47      C47 '"METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9' non-polymer        78  35 .
C48      C48 'N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETH' non-polymer        56  30 .
C49      C49 '4-THIO,5-FLUORO,5-METHYL-2'-DEOXY-CY' non-polymer        36  23 .
C4A      C4A '"ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-' non-polymer        71  38 .
C4B      C4B '1-beta-D-glucopyranosyl-1,3,5-triazi' non-polymer        33  20 .
C4C      C4C 'N-(4-chlorobenzyl)-N',N'-dimethyl-N-' non-polymer        40  20 .
C4E      C4E 'N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-' non-polymer        27  16 .
C4F      C4F '3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b' non-polymer        32  18 .
C4H      C4H 'N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL' non-polymer        54  27 .
C4M      C4M 'N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENY' non-polymer        55  27 .
C4P      C4P 'N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLE' non-polymer        61  32 .
C4R      C4R '(R)-2-amino-3-(bicyclo[2.2.1]hepta-2' peptide            28  15 .
C4S      C4S '.                                   ' non-polymer        32  20 .
C4X      C4X '3,4-EPOXYBUTYL-BETA-D-XYLOSIDE      ' pyranose           31  15 .
C50      C50 '1-[3-(2,3-dichlorophenoxy)propoxy]-6' non-polymer        42  23 .
C52      C52 '3-(2-aminoquinazolin-6-yl)-4-methyl-' non-polymer        44  29 .
C53      C53 '2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-Y' non-polymer        21  14 .
C5A      C5A '(1S,3S)-1-aminocyclopentane-1,3-dica' non-polymer        21  12 .
C5B      C5B '(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICA' non-polymer        21  12 .
C5C      C5C 'S-CYCLOPENTYL THIOCYSTEINE          ' peptide            27  13 .
C5D      C5D '(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-tri' non-polymer        65  33 .
C5G      C5G '.                                   ' non-polymer        59  36 .
C5M      C5M 'N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]' non-polymer        68  35 .
C5P      C5P 'CYTIDINE-5'-MONOPHOSPHATE           ' non-polymer        33  21 .
C5X      C5X '4,5-EPOXYPENTYL-BETA-D-XYLOSIDE     ' pyranose           34  16 .
C60      C60 '"[[[3-(2-METHYL-PROPANE-2-SULFONYL)-' non-polymer       112  51 .
C61      C61 '(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDR' non-polymer        82  34 .
C62      C62 '4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN' non-polymer        33  23 .
C64      C64 'N-(4-bromophenyl)-2-[2-(1,3-thiazol-' non-polymer        38  25 .
C66      C66 '2-AMINOETHYLLYSINE-CARBONYLMETHYLENE' non-polymer        47  24 .
C6B      C6B '"[(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyr' non-polymer        33  21 .
C6C      C6C 'S-CYCLOHEXYL THIOCYSTEINE           ' peptide            30  14 .
C6L      C6L 'N-hexanoyl-L-homoserine             ' non-polymer        33  15 .
C6P      C6P 'N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONO' non-polymer        36  22 .
C6Q      C6Q 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       109  46 .
C71      C71 'N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAH' non-polymer        70  34 .
C75      C75 '4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOL' non-polymer        37  24 .
C78      C78 '"[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLC' non-polymer        86  46 .
C7C      C7C '5-[(4-chlorophenyl)sulfanyl]-1,2,3-t' non-polymer        20  16 .
C7M      C7M '(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1' non-polymer        67  37 .
C7P      C7P 'cis-diammine(pyridine)chloroplatinum' non-polymer        21  10 .
C80      C80 '"(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO' non-polymer        78  37 .
C85      C85 '4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOL' non-polymer        34  23 .
C8C      C8C '2-amino-6-[2-(1H-indol-6-yl)ethyl]py' non-polymer        33  19 .
C8D      C8D 'N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHY' non-polymer        82  42 .
C8E      C8E '(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE' non-polymer        55  21 .
C8F      C8F '8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[' non-polymer       115  49 .
C8M      C8M '3-[{[(2R,3S,4R,5R)-5-(6-amino-8-meth' non-polymer        49  26 .
C8P      C8P 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       115  48 .
C90      C90 'N-{(1S,2R)-2-hydroxy-1-[(hydroxyamin' non-polymer        59  32 .
C92      C92 '"N'-(6-aminopyridin-3-yl)-N-(2-cyclo' non-polymer        53  27 .
C94      C94 '4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOL' non-polymer        37  27 .
C95      C95 '"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZO' non-polymer        31  22 .
C96      C96 '4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIA' non-polymer        37  24 .
C99      C99 '"{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYP' non-polymer        29  17 .
C9A      C9A '"4-chlorobenzyl 6-fluoro-7-(4-methyl' non-polymer        70  41 .
C9P      C9P '"4-(dihydroxyboranyl)-2-({[4-(phenyl' non-polymer        43  30 .
CA1      CA1 'ETHYL PROPIONATE                    ' non-polymer        17   7 .
CA2      CA2 '(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-' non-polymer        43  22 .
CA3      CA3 'COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE' non-polymer       116  66 .
CA4      CA4 'CYPROTERONE ACETATE                 ' non-polymer        58  29 .
CA5      CA5 'COA-S-ACETYL 5-BROMOTRYPTAMINE      ' non-polymer       107  64 .
CAA      CAA 'ACETOACETYL-COENZYME A              ' non-polymer        90  54 .
CAB      CAB '4,4-dihydroxy-5-oxo-L-norvaline     ' peptide            19  11 .
CAC      CAC 'CACODYLATE ION                      ' non-polymer        11   5 .
CA       CA  'CALCIUM ION                         ' non-polymer         1   1 .
CAD      CAD 'CACODYLIC ACID                      ' non-polymer        12   5 .
CAE      CAE 'CAMPHANE                            ' non-polymer        28  10 .
CAF      CAF 'S-DIMETHYLARSINOYL-CYSTEINE         ' peptide            22  11 .
CAG      CAG '.                                   ' non-polymer        63  43 .
CAH      CAH '5-EXO-HYDROXYCAMPHOR                ' non-polymer        28  12 .
CAI      CAI 'CARBOMYCIN A                        ' non-polymer       126  59 .
CAK      CAK '[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDRO' non-polymer        29  16 .
CAL      CAL '5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO' non-polymer        50  20 .
CAM      CAM 'CAMPHOR                             ' non-polymer        27  11 .
CAN      CAN 'CANALINE                            ' non-polymer        18   9 .
CAO      CAO 'OXIDIZED COENZYME A                 ' non-polymer        81  49 .
CAP      CAP '2-CARBOXYARABINITOL-1,5-DIPHOSPHATE ' non-polymer        30  21 .
CAQ      CAQ 'CATECHOL                            ' non-polymer        14   8 .
CAR      CAR '.                                   ' DNA                33  21 .
CAS      CAS 'S-(DIMETHYLARSENIC)CYSTEINE         ' peptide            21  10 .
CAT      CAT 'DODECANE-TRIMETHYLAMINE             ' non-polymer        50  16 .
CAU      CAU '(2S)-1-(9H-Carbazol-4-yloxy)-3-(isop' non-polymer        44  22 .
CAV      CAV '5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-2' non-polymer        48  20 .
CAX      CAX '(2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3' non-polymer        31  13 .
CAZ      CAZ 'ACYLATED CEFTAZIDIME                ' non-polymer        48  31 .
CB1      CB1 '5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMI' non-polymer        26  18 .
CB2      CB2 '"PHOSPHORIC ACID MONO-[5-(4-AMINO-5-' DNA                33  22 .
CB3      CB3 '10-PROPARGYL-5,8-DIDEAZAFOLIC ACID  ' non-polymer        56  35 .
CB4      CB4 'PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-' non-polymer        36  22 .
CB5      CB5 'COBALT BIS(1,2-DICARBOLLIDE)        ' non-polymer        23  23 .
CB6      CB6 '"(1R,4S,5R)-1,4,5-trihydroxy-3-[(5-m' non-polymer        41  24 .
CB9      CB9 '"(2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-' non-polymer        44  26 .
CBA      CBA 'N-PYRIDOXYL-2,3-DIHYDROXYASPARTIC AC' non-polymer        39  26 .
CBB      CBB '"1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOL' non-polymer        63  32 .
CBC      CBC 'N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2' non-polymer        37  27 .
CBD      CBD 'CIBACRON BLUE                       ' non-polymer        71  51 .
CBE      CBE '2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OX' non-polymer        29  16 .
CBF      CBF 'C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL)' non-polymer        28  15 .
CBG      CBG 'PROPANAL                            ' non-polymer        10   4 .
CBH      CBH 'S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE   ' non-polymer        30  15 .
CBI      CBI 'CELLOBIOSE                          ' saccharide         45  23 .
CBL      CBL 'CHLORAMBUCIL                        ' non-polymer        37  19 .
CBN      CBN 'CLOROBIOCIN                         ' non-polymer        86  49 .
CBO      CBO 'CARBENOXOLONE                       ' non-polymer        89  41 .
CBP      CBP '2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESU' non-polymer        48  28 .
CBQ      CBQ '[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPH' non-polymer        26  17 .
CBR      CBR '5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHO' DNA                32  21 .
CBS      CBS 'DI(N-ACETYL-D-GLUCOSAMINE)          ' non-polymer        57  29 .
CBT      CBT 'N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-T' non-polymer        35  22 .
CBU      CBU '(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,' non-polymer        24  12 .
CBV      CBV '.                                   ' non-polymer        33  22 .
CBW      CBW '(3BETA,5BETA,14BETA)-3-HYDROXY-11-OX' non-polymer        79  34 .
CBY      CBY 'COB(II)INAMIDE                      ' non-polymer       140  68 .
CC0      CC0 '"(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL' non-polymer        80  43 .
CC1      CC1 '"{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-' non-polymer        86  45 .
CC2      CC2 '4-hydroxy-6,7-dimethyl-3-(naphthalen' non-polymer        43  25 .
CC3      CC3 'N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL' non-polymer        48  30 .
CC5      CC5 'BETA-D-ERYTHROFURANOSYL-ADENOSINE   ' non-polymer        28  17 .
CC7      CC7 '4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-di' non-polymer        31  20 .
CCA      CCA '"2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO' non-polymer        44  22 .
CCB      CCB 'CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE    ' non-polymer        29  12 .
CCC      CCC '.                                   ' RNA                34  24 .
CCD      CCD '(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN' non-polymer        30  10 .
CCE      CCE '2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETH' non-polymer        25  10 .
CCG      CCG 'CALICHEAMICIN GAMMA-1               ' non-polymer       158  84 .
CCH      CCH '[7-ETHENYL-12-FORMYL-3,8,13,17-TERTR' non-polymer        71  43 .
CCI      CCI 'CALICHEAMICIN GAMMA-1-I             ' non-polymer       120  59 .
C        C   'CYTIDINE-5'-MONOPHOSPHATE           ' RNA                33  21 .
CCK      CCK '"[1-(6-{6-[(1-methylethyl)amino]-1H-' non-polymer        47  28 .
CCL      CCL 'N~6~-[(CYCLOPENTYLOXY)CARBONYL]-D-LY' peptide            39  18 .
CCM      CCM '1-METHYL-1-CARBOXY-CYCLOPENTANE     ' non-polymer        20   9 .
CCN      CCN 'ACETONITRILE                        ' non-polymer         6   3 .
CCO      CCO 'CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)' non-polymer        23  17 .
CCP      CCP 'BUTYLPHOSPHONATE                    ' non-polymer        19   8 .
CCQ      CCQ 'L-CARNITINYL-COA INNER SALT         ' non-polymer       104  58 .
CCR      CCR '[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHEN' non-polymer        80  42 .
CCS      CCS 'CARBOXYMETHYLATED CYSTEINE          ' peptide            18  11 .
CCT      CCT '"5-(4-CYANOPHENYL)-3-{[(2-METHYLPHEN' non-polymer        40  27 .
CCU      CCU '(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID    ' non-polymer        14  10 .
CCV      CCV '6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL' non-polymer        29  15 .
CCX      CCX '3-cyano-N-{1-[4-(5-cyano-1H-indol-3-' non-polymer        63  35 .
CCY      CCY '"2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-H' non-polymer        40  22 .
CDA      CDA '2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PY' non-polymer        50  31 .
CDB      CDB '2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PY' non-polymer        55  32 .
CDC      CDC '[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETH' non-polymer        56  31 .
CD       CD  'CADMIUM ION                         ' non-polymer         1   1 .
CDD      CDD '2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OX' non-polymer        49  32 .
CDE      CDE '1,2-DIMETHYL-PROPYLAMINE            ' non-polymer        19   6 .
CDF      CDF '4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHON' non-polymer        37  25 .
CDG      CDG 'METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDE' non-polymer        33  18 .
CDH      CDH 'D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-I' non-polymer        45  24 .
CDI      CDI '2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPH' non-polymer        26  16 .
CDK      CDK '4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO' non-polymer        50  29 .
CDL      CDL 'CARDIOLIPIN                         ' non-polymer       256 100 .
CDM      CDM '4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYT' non-polymer        56  33 .
CDN      CDN 'CARDIOLIPIN                         ' non-polymer       195  77 .
CDO      CDO '"2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYL' non-polymer        64  33 .
CDP      CDP 'CYTIDINE-5'-DIPHOSPHATE             ' non-polymer        37  25 .
CDR      CDR '2,3-DIDEOXYFUCOSE                   ' non-polymer        21   9 .
CDS      CDS '"(2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,' non-polymer        52  33 .
CDT      CDT '4-METHYLSULFANYL-2-UREIDO-BUTYRIC AC' non-polymer        23  12 .
CDU      CDU 'N-CYCLOHEXYL-N'-DECYLUREA           ' non-polymer        54  20 .
CDV      CDV '3-METHYL-2-UREIDO-BUTYRIC ACID      ' non-polymer        22  11 .
CDW      CDW '(4R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D' DNA                30  19 .
CDX      CDX '(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BI' non-polymer        35  19 .
CDY      CDY '2-CHLORODIDEOXYADENOSINE            ' non-polymer        30  18 .
CDZ      CDZ '3,5-dihydroxy-4,6,6-tris(3-methylbut' non-polymer        65  29 .
CE0      CE0 '"(2R)-2-[(1R)-2-[(2S)-2-amino-2-carb' non-polymer        57  33 .
CE1      CE1 'O-DODECANYL OCTAETHYLENE GLYCOL     ' non-polymer        95  37 .
CE2      CE2 '3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL' non-polymer        31  16 .
CE3      CE3 '"(6S,7S)-3-[(ACETYLOXY)METHYL]-7-{[(' non-polymer        46  30 .
CE5      CE5 'CELLOPENTAOSE                       ' non-polymer       108  56 .
CE6      CE6 'CELLOHEXAOSE                        ' non-polymer       129  67 .
CE8      CE8 'CELLOOCTAOSE                        ' non-polymer       171  89 .
CE9      CE9 'DODECYL NONA ETHYLENE GLYCOL ETHER  ' non-polymer       102  40 .
CEB      CEB '2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYA' non-polymer        32  17 .
CE       CE  'CERIUM (III) ION                    ' non-polymer         1   1 .
CED      CED '"5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-Y' non-polymer        37  22 .
CEE      CEE '(2-chloroethyl)benzene              ' non-polymer        18   9 .
CEF      CEF 'CEFOTAXIME GROUP                    ' non-polymer        48  30 .
CEG      CEG '4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-G' pyranose           30  17 .
CEH      CEH '"5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBO' non-polymer        90  52 .
CEI      CEI 'N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZ' non-polymer        52  31 .
CEJ      CEJ 'CYCLOPENTANE-1,3-DIONE              ' non-polymer        13   7 .
CEK      CEK '(9aS)-8-acetyl-1,7-dihydroxy-3-metho' non-polymer        59  36 .
CEL      CEL '4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROME' non-polymer        40  26 .
CEM      CEM 'N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-' non-polymer        24  14 .
CEN      CEN '7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSP' non-polymer        42  26 .
CEO      CEO '"5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-' non-polymer        35  22 .
CEP      CEP 'CEPHALOTHIN GROUP                   ' non-polymer        43  26 .
CEQ      CEQ 'ETHYL-TRIMETHYL-SILANE              ' non-polymer        20   6 .
CER      CER '(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,' non-polymer        35  16 .
CES      CES '"2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYI' non-polymer        41  26 .
CET      CET '2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYA' non-polymer        32  17 .
CEW      CEW '"(2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-' non-polymer        44  26 .
CEX      CEX 'alpha-D-glucopyranosyl-(1->4)-alpha-' non-polymer       108  56 .
CEY      CEY 'alpha-D-glucopyranosyl-(1->4)-alpha-' non-polymer       129  67 .
CF1      CF1 '2-{[2-chloro-5-(trifluoromethyl)phen' non-polymer        33  23 .
CF2      CF2 '"2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4' non-polymer        68  42 .
CF3      CF3 '9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANA' non-polymer        39  21 .
CF4      CF4 '"[4-(7,8-dimethyl-2,4-dioxo-3,4-dihy' non-polymer        45  26 .
CF5      CF5 '.                                   ' non-polymer        39  24 .
CFA      CFA '(2,4-DICHLOROPHENOXY)ACETIC ACID    ' non-polymer        18  13 .
CFB      CFB '2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-AR' non-polymer        31  20 .
CFC      CFC '1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBON' non-polymer        33  19 .
CFD      CFD '(2R,3E,5R)-5-amino-2,4-dimethylhex-3' non-polymer        25  10 .
CFE      CFE '(8R)-3-beta-D-ribofuranosyl-3,6,7,8-' non-polymer        36  20 .
CFF      CFF 'CAFFEINE                            ' non-polymer        24  14 .
CFH      CFH '1,1,1,3,3,3-hexafluoropropan-2-ol   ' non-polymer        12  10 .
CFL      CFL '"4-amino-1-(2-deoxy-2-fluoro-5-O-pho' non-polymer        32  21 .
CFM      CFM 'FE-MO-S CLUSTER                     ' non-polymer        23  17 .
CFN      CFN 'FE(7)-MO-S(9)-N CLUSTER             ' non-polymer        24  18 .
CFO      CFO 'CHLORO DIIRON-OXO MOIETY            ' non-polymer         4   4 .
CFP      CFP '6-CHLORO-2-FLUOROPURINE             ' non-polymer        13  11 .
CFQ      CFQ '1-(2-nitrophenyl)-2,2,2-trifluoroeth' non-polymer        40  21 .
CFS      CFS '4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-3-' non-polymer        35  17 .
CFT      CFT 'TRIFLUOROMETHANE                    ' non-polymer         5   4 .
CFV      CFV '"[(2R)-1-(4-amino-2-oxo-pyrimidin-1-' non-polymer        32  18 .
CFX      CFX 'CEFOXITIN                           ' non-polymer        44  28 .
CFY      CFY '"[(2S)-2-{(2R)-2-[(1S)-1-amino-2-phe' non-polymer        56  33 .
CFZ      CFZ '.                                   ' non-polymer        32  21 .
CG1      CG1 '5'-O-[(R)-hydroxy(methoxy)phosphoryl' non-polymer        40  25 .
CG2      CG2 'CYTIDYL-2'-5'-PHOSPHO-GUANOSINE     ' non-polymer        64  40 .
CG3      CG3 'HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM ' non-polymer        16  10 .
CGA      CGA 'CARBOXYMETHYLATED GLUTAMIC ACID     ' peptide            23  14 .
CGB      CGB 'CALYSTEGINE B2                      ' non-polymer        25  12 .
CG       CG  '4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRA' non-polymer        31  17 .
CGE      CGE 'Clopidogrel                         ' non-polymer        37  21 .
CGF      CGF 'C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) F' pyranose           31  17 .
CGL      CGL 'CYSTINE-GLUTATHIONE                 ' non-polymer        46  27 .
CGN      CGN '5-OXO-PYRROLIDINE-2-CARBALDEHYDE    ' non-polymer        15   8 .
CGP      CGP '2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3' non-polymer        62  38 .
CGQ      CGQ '"3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDE' non-polymer        48  26 .
CGR      CGR 'CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE ' non-polymer        57  36 .
CGS      CGS '"N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)S' non-polymer        50  27 .
CGT      CGT 'CARBA-GLUCOTROPAEOLIN               ' non-polymer        47  26 .
CGU      CGU 'GAMMA-CARBOXY-GLUTAMIC ACID         ' peptide            19  13 .
CH0      CH0 '"2-{[(3alpha,5alpha,7alpha,8alpha,10' non-polymer       216 102 .
CH1      CH1 '3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE   ' non-polymer        40  28 .
CH2      CH2 'METHYLENE GROUP                     ' non-polymer         5   1 .
CH4      CH4 '3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINO' non-polymer        33  13 .
CH5      CH5 '2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHOR' non-polymer        36  16 .
CH6      CH6 '"{(4Z)-2-[(1S)-1-amino-3-(methylsulf' non-polymer        42  24 .
CH7      CH7 '"[(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OX' non-polymer        40  24 .
CHA      CHA '1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPAN' non-polymer        30  11 .
CHB      CHB '3-CHLORO-4-HYDROXYBENZOIC ACID      ' non-polymer        15  11 .
CHC      CHC '6-ETHYL-CHENODEOXYCHOLIC ACID       ' non-polymer        73  30 .
CH       CH  'N3-PROTONATED CYTIDINE-5'-MONOPHOSPH' RNA                34  21 .
CHD      CHD 'CHOLIC ACID                         ' non-polymer        68  29 .
CHF      CHF 'CYCLOHEXYLFLUOROSTATONE             ' non-polymer        36  18 .
CHG      CHG 'CYCLOHEXYL-GLYCINE                  ' peptide            25  11 .
CHH      CHH 'N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIU' non-polymer        28  10 .
CHI      CHI '"5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACI' non-polymer        54  31 .
CHK      CHK '6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL' non-polymer        55  24 .
CHL      CHL 'CHLOROPHYLL B                       ' non-polymer       136  66 .
CHM      CHM '1,3-DICHLORO-PROPAN-2-ONE           ' non-polymer        10   6 .
CHN      CHN '4-AMINOMETHYL-CYCLOHEXYLAMINE       ' non-polymer        25   9 .
CHO      CHO 'GLYCOCHENODEOXYCHOLIC ACID          ' non-polymer        74  32 .
CHP      CHP '3-CHLORO-4-HYDROXYPHENYLGLYCINE     ' peptide            20  13 .
CHQ      CHQ 'CYCLO-(L-HISTIDINE-L-PROLINE) INHIBI' non-polymer        31  17 .
CHR      CHR 'NEOCARZINOSTATIN-CHROMOPHORE        ' non-polymer        81  48 .
CHS      CHS '4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTA' non-polymer        35  15 .
CHT      CHT 'CHOLINE ION                         ' non-polymer        21   7 .
CHX      CHX 'CYCLOHEXANE                         ' non-polymer        18   6 .
CHY      CHY 'CHYMOSTATIN                         ' non-polymer        84  44 .
CHZ      CHZ '1,8-dihydroxyanthracene-9,10-dione  ' non-polymer        26  18 .
CI2      CI2 '(5BETA)-PREGNANE-3,20-DIONE         ' non-polymer        55  23 .
CI9      CI9 '"N-({(1S)-5-[4-(13-{[2,4-BIS(DIHYDRO' non-polymer        95  52 .
CIA      CIA '"6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,' non-polymer        48  29 .
CIB      CIB '"2-ACETYLAMINO-4-METHYL-PENTANOIC AC' non-polymer        64  27 .
CIC      CIC 'CITRYL-THIOETHER-COENZYME *A        ' non-polymer        97  59 .
CID      CID '"6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,' non-polymer        39  27 .
CIE      CIE '"2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMID' non-polymer        42  27 .
CIG      CIG '2-AMINO-6-CHLOROPYRAZINE            ' non-polymer        12   8 .
CIH      CIH '(2Z)-2-cyano-N-(2,2'-dichlorobipheny' non-polymer        35  23 .
CII      CII 'N-[(1S)-2-methyl-1-(pyridin-4-ylcarb' non-polymer        47  22 .
CIL      CIL 'CILASTATIN                          ' non-polymer        48  24 .
CIN      CIN '4-CARBOXYCINNAMIC ACID              ' non-polymer        20  14 .
CIO      CIO 'CILOMILAST                          ' non-polymer        49  25 .
CIP      CIP 'INOSITOL-2-METHYLENE-1,2-CYCLIC-MONO' non-polymer        28  15 .
CIQ      CIQ '2-cyclohexyl-6-methoxy-N-[1-(1-methy' non-polymer        84  37 .
CIR      CIR 'CITRULLINE                          ' non-polymer        24  12 .
CIS      CIS '(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3' non-polymer       152  61 .
CIT      CIT 'CITRIC ACID                         ' non-polymer        18  13 .
CIU      CIU 'N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA  ' non-polymer        34  17 .
CJB      CJB '1-beta-D-glucopyranosylpyrimidine-2,' non-polymer        33  19 .
CJH      CJH '(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-' non-polymer        42  24 .
CJO      CJO '"[(2R,4R)-2-[(1R,2R)-1-amino-2-hydro' non-polymer        43  23 .
CJZ      CJZ '2-[(3,5-dichloro-4-hydroxyphenyl)ami' non-polymer        27  19 .
CK1      CK1 '4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-' non-polymer        19  14 .
CK2      CK2 '4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYR' non-polymer        24  14 .
CK3      CK3 'N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)' non-polymer        28  17 .
CK4      CK4 '4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-' non-polymer        37  24 .
CK5      CK5 '3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYR' non-polymer        35  21 .
CK6      CK6 '4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL' non-polymer        37  22 .
CK7      CK7 '[4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-P' non-polymer        35  23 .
CK8      CK8 '"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PY' non-polymer        42  23 .
CK9      CK9 '2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPY' non-polymer        53  27 .
CKB      CKB '1-beta-D-glucopyranosyl-5-methylpyri' non-polymer        36  20 .
CKE      CKE '1-{7-cyclohexyl-6-[4-(4-methylpipera' non-polymer        65  31 .
CKG      CKG '8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO' non-polymer        55  30 .
CKI      CKI 'N-(2-AMINOETHYL)-5-CHLOROISOQUINOLIN' non-polymer        30  18 .
CKK      CKK 'N-{[4-({5-[(4-aminopiperidin-1-yl)me' non-polymer        66  39 .
CKP      CKP '"(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(' non-polymer        25  17 .
CKR      CKR '6-amino-2-[(2-morpholin-4-ylethyl)am' non-polymer        43  24 .
CL1      CL1 'ALPHA CHLOROPHYLL A                 ' non-polymer       137  65 .
CL3      CL3 'N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZO' non-polymer        43  26 .
CL4      CL4 'N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIH' non-polymer        53  34 .
CL5      CL5 'N-(3-OXOPROPYL)GLYCINE              ' non-polymer        17   9 .
CL6      CL6 '1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]' non-polymer        42  25 .
CL7      CL7 'CHLOROPHYLL D                       ' non-polymer       135  65 .
CL8      CL8 'CHLORAMPHENICOL SUCCINATE           ' non-polymer        42  27 .
CL9      CL9 '2-chloro-2'-deoxyadenosine          ' non-polymer        31  19 .
CLA      CLA 'CHLOROPHYLL A                       ' non-polymer       137  65 .
CLB      CLB 'D-PARA-CHLOROPHENYL-1-ACETAMIDOBORON' peptide            41  23 .
CLC      CLC 'N-ACETYL-P-NITROPHENYLSERINOL       ' non-polymer        32  18 .
CL       CL  'CHLORIDE ION                        ' non-polymer         1   1 .
CLD      CLD 'D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORON' peptide            41  23 .
CLE      CLE 'LEUCINE AMIDE                       ' non-polymer        23   9 .
CLF      CLF 'FE(8)-S(7) CLUSTER                  ' non-polymer        21  15 .
CLG      CLG '2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO' peptide            38  19 .
CLH      CLH '2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACE' peptide            34  18 .
CLI      CLI '3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-' non-polymer        26  19 .
CLK      CLK 'ALPHA-N-DICHLOROACETYL-P-AMINOPHENYL' non-polymer        32  18 .
CLL      CLL 'CHOLESTERYL LINOLEATE               ' non-polymer       123  47 .
CLM      CLM 'CHLORAMPHENICOL                     ' non-polymer        32  20 .
CLN      CLN 'SULFUR SUBSTITUTED PROTOPORPHYRIN IX' non-polymer        74  44 .
CLP      CLP 'FE-S CLUSTER                        ' non-polymer        22  16 .
CLQ      CLQ 'N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DI' non-polymer        48  22 .
CLR      CLR 'CHOLESTEROL                         ' non-polymer        74  28 .
CLS      CLS 'CEPHALOTHIN                         ' non-polymer        41  26 .
CLT      CLT '4-PHENYL-BUTANOIC ACID              ' non-polymer        23  12 .
CLU      CLU '2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDEN' non-polymer        23  14 .
CLV      CLV '{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,' non-polymer        23  13 .
CLW      CLW 'CHLORZOXAZONE                       ' non-polymer        15  11 .
CLX      CLX 'TRI-CHLORO-ACETALDEHYDE             ' non-polymer         7   6 .
CLY      CLY 'CLINDAMYCIN                         ' non-polymer        60  27 .
CLZ      CLZ '5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE ' non-polymer        24  16 .
CM0      CM0 '.                                   ' non-polymer        38  26 .
CM1      CM1 'CARBOXYMYCOBACTIN S                 ' non-polymer       104  54 .
CM2      CM2 'CARBOXYMYCOBACTIN T                 ' non-polymer       101  53 .
CM3      CM3 '(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHEN' non-polymer        67  35 .
CM4      CM4 '(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-MET' non-polymer        64  33 .
CM5      CM5 '5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSI' non-polymer        76  34 .
CM6      CM6 '(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLS' non-polymer        44  29 .
CM7      CM7 '"N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3' non-polymer        79  44 .
CM8      CM8 'N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-' non-polymer        80  43 .
CM9      CM9 'CIS-4-METHYL-N-[(1S)-3-(METHYLSULFAN' non-polymer        51  24 .
CMA      CMA 'N2-(CARBOXYETHYL)-L-ARGININE        ' non-polymer        33  17 .
CMB      CMB '1-(3-carbamimidoylbenzyl)-N-(3,5-dic' non-polymer        54  32 .
CMC      CMC 'CARBOXYMETHYL COENZYME *A           ' non-polymer        85  52 .
CMD      CMD '3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINY' non-polymer        80  46 .
CME      CME 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE    ' peptide            21  11 .
CMF      CMF '"3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-' non-polymer        62  33 .
CMG      CMG '6-O-CYCLOHEXYLMETHYL GUANINE        ' non-polymer        35  18 .
CMH      CMH 'S-(METHYLMERCURY)-L-CYSTEINE        ' peptide            17   9 .
CMI      CMI '"1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL' non-polymer        60  32 .
CMJ      CMJ '(20S)-20-methyldotetracontane       ' non-polymer       131  43 .
CMK      CMK '.                                   ' non-polymer        60  36 .
CML      CML '(2S)-2-{[(2R)-2-amino-2-carboxyethyl' peptide            23  15 .
CMM      CMM '"2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-Y' non-polymer        75  41 .
CMO      CMO 'CARBON MONOXIDE                     ' non-polymer         2   2 .
CMP      CMP 'ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE' non-polymer        33  22 .
CMQ      CMQ 'N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S' non-polymer        63  31 .
CMR      CMR '2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPH' non-polymer        36  20 .
CMS      CMS 'CARBAMOYL SARCOSINE                 ' non-polymer        16   9 .
CMT      CMT 'O-METHYLCYSTEINE                    ' non-polymer        17   8 .
CMU      CMU '5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) ' non-polymer        27  16 .
CMV      CMV '"(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethy' non-polymer        62  34 .
CMW      CMW '3-{[(4-methylphenyl)sulfonyl]amino}p' non-polymer        43  24 .
CMX      CMX 'CARBOXYMETHYLDETHIA COENZYME *A     ' non-polymer        84  51 .
CMY      CMY '(6-AMINOHEXYL)CARBAMIC ACID         ' non-polymer        27  11 .
CMZ      CMZ '(2S)-1-(2,5-dimethylphenoxy)-3-morph' non-polymer        42  19 .
CN1      CN1 'OXO-IRON CLUSTER 2                  ' non-polymer        24  15 .
CN2      CN2 '2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-' non-polymer        55  30 .
CN3      CN3 '"(2R,5S,11R,14R)-5,8,11-trihydroxy-2' non-polymer       121  55 .
CN5      CN5 '"(5S,11R)-5,8,11-trihydroxy-5,11-dio' non-polymer        91  41 .
CN6      CN6 '"(2R,5R,11S,14R)-2-(butanoyloxy)-5,8' non-polymer       106  50 .
CNA      CNA 'CARBA-NICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer        72  44 .
CNB      CNB 'OXO-IRON CLUSTER 1                  ' non-polymer        22  14 .
CNC      CNC 'CO-CYANOCOBALAMIN                   ' non-polymer       180  93 .
CND      CND '5-BETA-D-RIBOFURANOSYLNICOTINAMIDE A' non-polymer        70  44 .
CNE      CNE '"(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SU' non-polymer        79  44 .
CNF      CNF 'OXO-IRON CLUSTER 3                  ' non-polymer        24  15 .
CNH      CNH '2-HYDROXY-2-METHYLPROPANENITRILE    ' non-polymer        13   6 .
CNI      CNI '7-nitro-2,3-dioxo-2,3-dihydroquinoxa' non-polymer        19  17 .
CNL      CNL '1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]O' non-polymer        29  11 .
CNN      CNN 'CYANAMIDE                           ' non-polymer         5   3 .
CNO      CNO '"2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-E' non-polymer        70  40 .
CNP      CNP '2-PROPENYL-N-ACETYL-NEURAMIC ACID   ' non-polymer        45  23 .
CNQ      CNQ '3-(4-CHLOROPHENYL)QUINOXALINE-5-CARB' non-polymer        30  20 .
CNR      CNR '(2S)-2-CHLOROPROPANOIC ACID         ' non-polymer        10   6 .
CNS      CNS 'HEXADECYL OCTANOATE                 ' non-polymer        74  26 .
CNT      CNT 'N-METHYL-META-CHLORO-TYROSINE       ' non-polymer        26  15 .
CNU      CNU '5-CYANO-URIDINE-5'-MONOPHOSPHATE    ' non-polymer        33  23 .
CNX      CNX 'heptanenitrile                      ' non-polymer        21   8 .
CNY      CNY '"13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9' non-polymer        85  41 .
CO1      CO1 '17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METH' non-polymer        73  29 .
CO2      CO2 'CARBON DIOXIDE                      ' non-polymer         3   3 .
CO3      CO3 'CARBONATE ION                       ' non-polymer         4   4 .
CO4      CO4 '2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIME' non-polymer        52  28 .
CO6      CO6 'ISOBUTYRYL-COENZYME A               ' non-polymer        91  53 .
CO7      CO7 '.                                   ' non-polymer        89  53 .
CO8      CO8 'OCTANOYL-COENZYME A                 ' non-polymer       103  57 .
CO9      CO9 '1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL' non-polymer        56  32 .
COA      COA 'COENZYME A                          ' non-polymer        80  48 .
COB      COB 'CO-METHYLCOBALAMIN                  ' non-polymer       182  92 .
COC      COC 'COCAINE                             ' non-polymer        43  22 .
CO       CO  'COBALT (II) ION                     ' non-polymer         1   1 .
COD      COD 'DEPHOSPHO COENZYME A                ' non-polymer        77  44 .
COF      COF 'TRIFLUOROACETONYL COENZYME A        ' non-polymer        88  55 .
COG      COG '2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBEN' non-polymer        46  25 .
COH      COH 'PROTOPORPHYRIN IX CONTAINING CO     ' non-polymer        73  43 .
COI      COI '2-OXO-4-METHYLPENTANOIC ACID        ' non-polymer        18   9 .
COJ      COJ 'HYDROGENOBYRINIC ACID               ' non-polymer       116  63 .
COK      COK '.                                   ' non-polymer        88  52 .
COL      COL '2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIE' non-polymer        25  18 .
COM      COM '1-THIOETHANESULFONIC ACID           ' non-polymer        13   7 .
CON      CON 'COBALT TETRAAMMINE ION              ' non-polymer        17   5 .
COO      COO 'CROTONYL COENZYME A                 ' non-polymer        89  53 .
COP      COP '"N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTE' non-polymer        67  42 .
COQ      COQ '2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBEN' non-polymer        45  25 .
COR      COR '2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPE' non-polymer        42  20 .
COS      COS 'COENZYME A PERSULFIDE               ' non-polymer        81  49 .
COT      COT 'COA-S-ACETYL TRYPTAMINE             ' non-polymer       107  63 .
COU      COU 'COUMARIN                            ' non-polymer        17  11 .
COV      COV '(1S,3R,5Z,7E,14beta,17alpha)-17-[(2S' non-polymer        76  32 .
COW      COW 'Anthraniloyl-coenzyme A             ' non-polymer        94  57 .
COX      COX '4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BE' non-polymer        36  22 .
COY      COY 'CO-(ADENIN-9-YL-PENTYL)-COBALAMIN   ' non-polymer       211 106 .
COZ      COZ 'COENZYME A                          ' non-polymer        80  48 .
CP0      CP0 '.                                   ' non-polymer        81  43 .
CP1      CP1 '2-(METHYLAMINO)-ETHYLGLYCINE-CARBONY' non-polymer        36  20 .
CP2      CP2 '1,2-DICHLORO-PROPANE                ' non-polymer        11   5 .
CP3      CP3 'COPROPORPHYRIN III                  ' non-polymer        88  48 .
CP4      CP4 'BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-' non-polymer        58  34 .
CP5      CP5 '(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-' non-polymer        21  15 .
CP6      CP6 '5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDI' non-polymer        30  17 .
CP7      CP7 '6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMI' non-polymer        30  16 .
CP8      CP8 '.                                   ' non-polymer        46  26 .
CP9      CP9 '3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN' non-polymer        43  27 .
CPA      CPA '2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3' non-polymer        61  37 .
CPB      CPB '2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-' non-polymer        48  28 .
CPC      CPC '2-METHYL-1-METHYLAMINO-CYCLOPROPANE ' M-peptide          19   9 .
CP       CP  'PHOSPHORIC ACID MONO(FORMAMIDE)ESTER' non-polymer        10   8 .
CPD      CPD '"[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL' non-polymer        84  48 .
CPF      CPF '"1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPE' non-polymer        41  24 .
CPH      CPH '1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIH' non-polymer        52  28 .
CPI      CPI '6-CARBOXYPIPERIDINE                 ' non-polymer        19   9 .
CPJ      CPJ 'BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3' non-polymer        52  30 .
CPK      CPK 'BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-' non-polymer        56  32 .
CPL      CPL '1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3' non-polymer       132  52 .
CPM      CPM 'S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIM' non-polymer        31  16 .
CPN      CPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        34  19 .
#CPO      CPO 'COPROGEN                            ' non-polymer       108  55 .
CPP      CPP '2-CYCLOPROPYLMETHYLENEPROPANAL      ' non-polymer        20   8 .
CPQ      CPQ 'N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYC' non-polymer       135  60 .
CPR      CPR '.                                   ' non-polymer        34  23 .
CPS      CPS '3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONI' non-polymer       100  42 .
CPT      CPT 'Cisplatin                           ' non-polymer        11   5 .
CPU      CPU '.                                   ' non-polymer        43  19 .
CPV      CPV '5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO' non-polymer        47  19 .
CPW      CPW '"(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2' non-polymer        29  17 .
CPX      CPX 'N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLA' non-polymer        70  32 .
CPY      CPY '1-(3-AMINO-4-CYCLOHEXYL-2-HYDROXYBUT' non-polymer        43  19 .
CPZ      CPZ '4-(4-CHLOROPHENYL)IMIDAZOLE         ' non-polymer        19  12 .
CQA      CQA '4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[' non-polymer        47  25 .
CQL      CQL '5-chloro-7-iodoquinolin-8-ol        ' non-polymer        18  13 .
CQP      CQP '(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYR' non-polymer        51  29 .
CQU      CQU 'N-[2-(5-methyl-4H-1,2,4-triazol-3-yl' non-polymer        35  22 .
CQW      CQW '5-(5-chloro-7H-pyrrolo[2,3-d]pyrimid' non-polymer        30  19 .
CR0      CR0 '"[2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDR' non-polymer        40  19 .
CR1      CR1 '1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GL' pyranose           31  16 .
CR2      CR2 '"{(4Z)-2-(aminomethyl)-4-[(4-hydroxy' non-polymer        32  20 .
CR3      CR3 '2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        46  25 .
CR4      CR4 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        31  19 .
CR5      CR5 '"(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-' non-polymer        23  14 .
CR6      CR6 '1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2' pyranose           34  18 .
CR7      CR7 '"[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-4-' non-polymer        46  25 .
CR8      CR8 '"2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHY' non-polymer        41  26 .
CR9      CR9 '2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-' non-polymer        51  28 .
CRA      CRA '1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GL' pyranose           35  19 .
CRB      CRB '"[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-' non-polymer        31  17 .
CR       CR  'CHROMIUM ION                        ' non-polymer         1   1 .
CRD      CRD '(2E)-BUT-2-ENAL                     ' non-polymer        11   5 .
CRE      CRE 'GERMACRENE A                        ' non-polymer        39  15 .
CRF      CRF '"[(4Z)-2-[(1R,2R)-1-amino-2-hydroxyp' non-polymer        42  25 .
CRG      CRG '"[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(3H' non-polymer        35  21 .
CRH      CRH '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer        52  28 .
CRI      CRI '.                                   ' non-polymer        54  31 .
CRJ      CRJ 'N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-O' non-polymer        55  33 .
CRK      CRK '"4-{(Z)-[2-[3-(METHYLSULFANYL)PROPAN' non-polymer        38  23 .
CRL      CRL 'N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRA' non-polymer        58  28 .
CRM      CRM '"3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDRO' non-polymer        44  27 .
CRN      CRN 'N-[(E)-AMINO(IMINO)METHYL]-N-METHYLG' non-polymer        17   9 .
CRO      CRO '"{2-[(1R,2R)-1-amino-2-hydroxypropyl' non-polymer        39  23 .
CRP      CRP '((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-' non-polymer        38  20 .
CRQ      CRQ '"[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(' non-polymer        40  25 .
CRR      CRR '3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-' non-polymer        42  29 .
CRS      CRS 'M-CRESOL                            ' non-polymer        16   8 .
CRT      CRT 'SPIRILLOXANTHIN                     ' non-polymer       104  44 .
CRU      CRU '"4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDR' non-polymer        38  25 .
CRV      CRV 'N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BE' non-polymer        59  33 .
CRW      CRW '[2-(1-AMINOETHYL)-4-METHYLENE-5-OXO-' non-polymer        24  14 .
CRX      CRX '[2-(1-AMINOETHYL)-2-HYDROXY-4-METHYL' non-polymer        27  15 .
CRZ      CRZ '4-(9H-CARBAZOL-9-YL)BUTANOIC ACID   ' non-polymer        33  19 .
CS1      CS1 'S-(2-ANILINYL-SULFANYL)-CYSTEINE    ' peptide            26  15 .
CS2      CS2 'D-MANNONIC ACID                     ' non-polymer        24  13 .
CS3      CS3 'S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYST' peptide            28  16 .
CS4      CS4 'S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPY' peptide            31  19 .
CS5      CS5 '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        83  42 .
CS7      CS7 '"N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY' non-polymer        87  44 .
CS8      CS8 '3-THIAOCTANOYL-COENZYME A           ' non-polymer       101  57 .
CS9      CS9 '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        84  43 .
CSA      CSA 'S-ACETONYLCYSTEINE                  ' peptide            21  11 .
CSB      CSB 'CYS BOUND TO LEAD ION               ' peptide            13   8 .
CSC      CSC '4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5' non-polymer        48  28 .
CS       CS  'CESIUM ION                          ' non-polymer         1   1 .
CSD      CSD '3-SULFINOALANINE                    ' peptide            15   9 .
CSE      CSE 'SELENOCYSTEINE                      ' peptide            13   7 .
CSF      CSF '.                                   ' non-polymer        70  42 .
CSG      CSG '.                                   ' non-polymer        42  29 .
CSH      CSH '"[2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H' non-polymer        36  20 .
CSI      CSI '.                                   ' .                  29  15 .
CSJ      CSJ 'S-[(2-aminophenyl)carbonyl]-L-cystei' peptide            27  16 .
CSL      CSL '(D)-2'-METHYLSELENYL-2'-DEOXYCYTIDIN' non-polymer        36  22 .
CSN      CSN 'N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZ' non-polymer        20  15 .
CSO      CSO 'S-HYDROXYCYSTEINE                   ' peptide            14   8 .
CSP      CSP 'S-PHOSPHOCYSTEINE                   ' peptide            18  11 .
CSR      CSR 'S-ARSONOCYSTEINE                    ' peptide            18  11 .
CSS      CSS 'S-MERCAPTOCYSTEINE                  ' peptide            14   8 .
CST      CST '[[PHENYLALANINE-CARBONYL-AMINO-2-(2-' non-polymer        84  45 .
CSU      CSU 'CYSTEINE-S-SULFONIC ACID            ' peptide            17  11 .
CSW      CSW 'CYSTEINE-S-DIOXIDE                  ' peptide            15   9 .
CSX      CSX 'S-OXY CYSTEINE                      ' peptide            14   8 .
CSY      CSY '"[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-' non-polymer        40  22 .
CSZ      CSZ 'S-SELANYL CYSTEINE                  ' peptide            14   8 .
CT0      CT0 'N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXAL' non-polymer        29  16 .
CT1      CT1 '(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL' non-polymer        49  22 .
CT2      CT2 '1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-F' non-polymer        50  23 .
CT4      CT4 '1-[(2-chloro-1,3-thiazol-5-yl)methyl' non-polymer        23  15 .
CT5      CT5 '4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-' non-polymer        46  26 .
CT6      CT6 '(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-' non-polymer        39  24 .
CT7      CT7 '(5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-' non-polymer        32  21 .
CT8      CT8 '(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-' non-polymer        38  24 .
CT9      CT9 '4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-' non-polymer        66  33 .
CTA      CTA 'CYCLOTHEONAMIDE A                   ' non-polymer        98  53 .
CTB      CTB 'N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ' non-polymer        23  13 .
CTC      CTC '7-CHLOROTETRACYCLINE                ' non-polymer        56  33 .
CTD      CTD '3-DEAZACYTIDINE                     ' non-polymer        31  17 .
CTE      CTE '7-CHLOROTRYPTOPHAN                  ' peptide            26  16 .
CTF      CTF '(17beta)-17-(cyanomethyl)-2-methoxye' non-polymer        56  28 .
CTG      CTG '(5R,6S)-5,6-DIHYDRO-5,6-DIHYDROXYTHY' DNA                38  23 .
CTH      CTH '4-CHLOROTHREONINE                   ' peptide            16   9 .
CTJ      CTJ '1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino' non-polymer        60  37 .
CTL      CTL 'CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYD' non-polymer        25  12 .
CTM      CTM '"(2S)-3-(4-{[2-(4-chlorophenyl)-1,3-' non-polymer        50  29 .
CTN      CTN '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)' non-polymer        30  17 .
CTO      CTO 'TRIACETYLCHITOTRIOSE                ' non-polymer        84  43 .
CTP      CTP 'CYTIDINE-5'-TRIPHOSPHATE            ' non-polymer        41  29 .
CTR      CTR 'CELLOTRIOSE                         ' non-polymer        66  34 .
CTS      CTS 'CASTANOSPERMINE                     ' non-polymer        28  13 .
CTT      CTT 'beta-D-glucopyranosyl-(1->4)-beta-D-' non-polymer        87  45 .
CTX      CTX '(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-P' non-polymer        57  28 .
CTY      CTY 'CLARITHROMYCIN                      ' non-polymer       121  52 .
CTZ      CTZ 'C2-HYDROXY-COELENTERAZINE           ' non-polymer        54  33 .
CU1      CU1 'COPPER (I) ION                      ' non-polymer         1   1 .
CU3      CU3 'COPPER (III) ION                    ' non-polymer         1   1 .
CUA      CUA 'DINUCLEAR COPPER ION                ' non-polymer         2   2 .
CUB      CUB 'CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER    ' non-polymer        20  11 .
CU       CU  'COPPER (II) ION                     ' non-polymer         1   1 .
CUD      CUD '3-(4-amino-2-oxopyrimidin-1(2H)-yl)-' peptide            23  14 .
CUL      CUL 'COPPER (II) CHLORIDE                ' non-polymer         3   3 .
CUM      CUM 'CU(I)-S-MO(VI)(=O)OH CLUSTER        ' non-polymer         6   5 .
CUN      CUN 'CU(I)-S-MO(IV)(=O)OH CLUSTER        ' non-polymer         6   5 .
CUO      CUO 'CU2-O2 CLUSTER                      ' non-polymer         4   4 .
CUP      CUP '(N-SALICYLIDEN-L-PHENYLALANATO)-COPP' non-polymer        34  21 .
CUS      CUS '(N-SALICYLIDEN-L-LEUCINATO)-COPPER(I' non-polymer        33  18 .
CUZ      CUZ '(MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ' non-polymer         5   5 .
CVB      CVB '4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACI' non-polymer        22  14 .
CVI      CVI 'CRYSTAL VIOLET                      ' non-polymer        58  28 .
CVM      CVM 'CYMAL-4                             ' non-polymer        73  33 .
CW1      CW1 'Cotylenin A                         ' non-polymer        98  46 .
CWR      CWR '(4-methyl-5-oxo-2,5-dihydro-1H-imida' non-polymer        18  11 .
CX1      CX1 'N-[(benzyloxy)carbonyl]-L-histidyl-N' non-polymer        79  45 .
CX4      CX4 '7-chloro-N-(cyclopropylmethyl)quinaz' non-polymer        28  16 .
CX6      CX6 '2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOX' non-polymer        31  18 .
CXA      CXA 'PHENYLALANINE-N-SULFONAMIDE         ' non-polymer        27  16 .
CXB      CXB '[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZ' non-polymer        28  17 .
CXE      CXE 'PENTAETHYLENE GLYCOL MONODECYL ETHER' non-polymer        68  26 .
CXF      CXF 'CYCLOHEXYLFORMAMIDE                 ' non-polymer        22   9 .
CXL      CXL 'CYCLOHEXANOL                        ' non-polymer        19   7 .
CXM      CXM 'N-CARBOXYMETHIONINE                 ' M-peptide          22  12 .
CXN      CXN 'CLOXACILLIN                         ' non-polymer        46  29 .
CXO      CXO 'CYCLOHEXANE-1,2-DIONE               ' non-polymer        16   8 .
CXP      CXP 'CYCLOHEXANE PROPIONIC ACID          ' non-polymer        26  11 .
CXR      CXR 'CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE ' non-polymer        54  35 .
CXS      CXS '3-CYCLOHEXYL-1-PROPYLSULFONIC ACID  ' non-polymer        33  14 .
CXT      CXT 'CARBOXYATRACTYLOSIDE                ' non-polymer        95  51 .
CXX      CXX '3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-' non-polymer        45  22 .
CXY      CXY 'CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE ' non-polymer        55  34 .
CXZ      CXZ '4-chloro-6-{5-[(2-morpholin-4-ylethy' non-polymer        47  27 .
CY0      CY0 'S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMIN' peptide            49  29 .
CY1      CY1 'ACETAMIDOMETHYLCYSTEINE             ' peptide            23  12 .
CY3      CY3 '2-AMINO-3-MERCAPTO-PROPIONAMIDE     ' non-polymer        15   7 .
CY4      CY4 'S-BUTYRYL-CYSTEIN                   ' peptide            24  12 .
CY6      CY6 'N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL' non-polymer        82  40 .
CY7      CY7 'S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYR' non-polymer        82  47 .
CY9      CY9 '"(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15' non-polymer        74  37 .
CYB      CYB 'PHYCOUROBILIN                       ' non-polymer        80  42 .
CYC      CYC 'PHYCOCYANOBILIN                     ' non-polymer        81  43 .
CYD      CYD '2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-HEXAN' peptide            31  17 .
CYE      CYE '.                                   ' non-polymer       124  69 .
CYF      CYF '"5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULF' non-polymer        58  36 .
CYG      CYG '2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANY' peptide            28  16 .
CYH      CYH 'CYCLOHEXANONE                       ' non-polymer        17   7 .
CYI      CYI 'CYCLOHEXYL ISOCYANIDE               ' non-polymer        19   8 .
CYJ      CYJ '"(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL' peptide            49  25 .
CYK      CYK 'N-hexanoyl-L-homocysteine           ' non-polymer        33  15 .
CYN      CYN 'CYANIDE ION                         ' non-polymer         2   2 .
CYQ      CYQ '2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PR' peptide            21  12 .
CYR      CYR 'N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]' peptide            35  18 .
CYS      CYS 'CYSTINE                             ' peptide            10   6 .
CYT      CYT '6-AMINOPYRIMIDIN-2(1H)-ONE          ' non-polymer        13   8 .
CYU      CYU 'CALYCULIN A                         ' non-polymer       149  70 .
CYV      CYV '"ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-' non-polymer        99  45 .
CYX      CYX '(3-FORMYL-BUT-3-ENYL)-PHOSPHONIC ACI' non-polymer        19  10 .
CYY      CYY '2-DEOXYSTREPTAMINE                  ' non-polymer        25  11 .
CYZ      CYZ 'CYCLOTHIAZIDE                       ' non-polymer        40  24 .
CZ2      CZ2 'S-(DIHYDROXYARSINO)CYSTEINE         ' peptide            17  10 .
CZ3      CZ3 '"1,1'-{hexa-2,4-diyne-1,6-diylbis[ox' non-polymer       128  68 .
CZA      CZA '"(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY' non-polymer        45  25 .
CZB      CZB '(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2' non-polymer        56  34 .
CZH      CZH 'C2-HYDROPEROXY-COELENTERAZINE       ' non-polymer        55  34 .
CZI      CZI '(2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYD' non-polymer        56  34 .
CZM      CZM ''N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYL' non-polymer        46  26 .
CZN      CZN '(2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-' non-polymer        62  37 .
CZO      CZO '"[(2R,4S)-2-[(1S,2R)-1-amino-2-hydro' non-polymer        44  24 .
CZP      CZP '(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPE' non-polymer        60  33 .
CZZ      CZZ 'THIARSAHYDROXY-CYSTEINE             ' peptide            15   9 .
D01      D01 '"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULF' non-polymer        48  31 .
D05      D05 '6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2' non-polymer        45  30 .
D09      D09 '5-[(2R)-2-(2-methoxyphenyl)propyl]fu' non-polymer        40  22 .
D10      D10 'DECANE                              ' non-polymer        32  10 .
D11      D11 'D-PHOSPHOTHREONINE                  ' peptide            19  12 .
D12      D12 'DODECANE                            ' non-polymer        38  12 .
D13      D13 '4-[5-(3-IODO-PHENYL)-2-(4-METHANESUL' non-polymer        43  27 .
D14      D14 '7-chloro-N-[(1S,2R,4S)-4-(dimethylca' non-polymer        66  37 .
D15      D15 'N-(5-{[(2S)-4-amino-2-(3-chloropheny' non-polymer        54  32 .
D16      D16 'TOMUDEX                             ' non-polymer        52  32 .
D17      D17 '"N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3' non-polymer        53  34 .
D18      D18 '2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHY' non-polymer        61  29 .
D19      D19 '2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETH' non-polymer        57  29 .
D1A      D1A 'N-[(1Z,4E)-4-{1-[(E)-carbamimidoyldi' non-polymer        43  28 .
D1B      D1B '"2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}' non-polymer        42  26 .
D1D      D1D '(4S,5S)-1,2-DITHIANE-4,5-DIOL       ' non-polymer        16   8 .
D1G      D1G 'N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2' non-polymer        29  15 .
D1H      D1H '1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL' non-polymer        46  28 .
D1L      D1L '2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PR' non-polymer        32  21 .
D1N      D1N 'NAPHTHALENE-1,2-DIOL                ' non-polymer        20  12 .
D1R      D1R 'NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARB' non-polymer        81  41 .
D1T      D1T 'DECANE-1-THIOL                      ' non-polymer        33  11 .
D1V      D1V '2-mercapto(3H)quinazolinone         ' non-polymer        18  12 .
D1X      D1X '2,6-dioxo-1,2,3,6-tetrahydropyridine' non-polymer        15  11 .
D20      D20 'N~5~-{IMINO[(2-METHOXYETHYL)AMINO]ME' non-polymer        35  16 .
D22      D22 'N-octyloctan-1-amine                ' non-polymer        52  17 .
D23      D23 '6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(' non-polymer        45  26 .
D24      D24 '2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YL' non-polymer        61  33 .
D25      D25 '3-phenyl-5-(1H-pyrazol-3-yl)isoxazol' non-polymer        25  16 .
D26      D26 'PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZ' non-polymer        25  16 .
D27      D27 '2-{[(2E)-3-(3,4-dimethoxyphenyl)prop' non-polymer        40  24 .
D28      D28 '4-{[4-(4-fluoro-3-methylphenyl)-1,3-' non-polymer        36  24 .
D2A      D2A '2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZI' non-polymer        45  27 .
D2C      D2C '(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)' non-polymer        56  31 .
D2G      D2G 'N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)' non-polymer        26  14 .
D2M      D2M '4-(2,6-dimethoxyphenoxy)-2,6-dimetho' non-polymer        40  22 .
D2P      D2P '(2S)-2,3-DICHLOROPROPAN-1-OL        ' non-polymer        12   6 .
D2S      D2S '4,4'-disulfanediyldibenzene-1,3-diol' non-polymer        28  18 .
D2V      D2V '(3S,5Z,7E,22E)-9,10-secoergosta-5,7,' non-polymer        73  29 .
D2X      D2X '3-[(4-hydroxy-2-methylpyrimidin-5-yl' non-polymer        41  26 .
D30      D30 '"[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(' non-polymer        68  40 .
D31      D31 '2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-' non-polymer        62  31 .
D32      D32 '"(2,3-dimethyl-4-{[2-(prop-2-yn-1-yl' non-polymer        58  36 .
D33      D33 '1-(2-deoxy-5-O-phosphono-beta-D-eryt' DNA                28  17 .
D34      D34 '2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHY' non-polymer        63  31 .
D35      D35 '2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHY' non-polymer        75  35 .
D38      D38 'N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1' non-polymer        61  32 .
D3       D3  '1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-4-(' DNA                52  32 .
D3E      D3E 'N-cyclopropyl-N-(trans-4-pyridin-3-y' non-polymer        58  31 .
D3F      D3F '2-[(2,4-DICHLORO-5-METHYLPHENYL)SULF' non-polymer        35  28 .
D3G      D3G '(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAM' non-polymer        23  13 .
D3M      D3M '3,6-dichloro-2-methoxybenzoic acid  ' non-polymer        18  13 .
D3P      D3P '(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETI' peptide            21  13 .
D3T      D3T '2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPH' non-polymer        41  28 .
D3X      D3X 'N-hydroxy-2-{[(4-methoxyphenyl)sulfo' non-polymer        57  31 .
D3Z      D3Z '1-(5-deoxy-beta-L-xylofuranosyl)pyri' non-polymer        28  16 .
D42      D42 '1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OX' non-polymer        54  31 .
D4D      D4D '.                                   ' non-polymer        35  24 .
D4G      D4G '.                                   ' non-polymer        22  14 .
D4M      D4M '"[(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIH' non-polymer        31  20 .
D4N      D4N '1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-' non-polymer        56  30 .
D4P      D4P '(2S)-AMINO(4-HYDROXYPHENYL)ACETIC AC' peptide            20  12 .
D4T      D4T '.                                   ' non-polymer        39  28 .
D55      D55 '4-(2-aminoethoxy)-N-(2,5-diethoxyphe' non-polymer        55  27 .
D56      D56 '4-(2-aminoethoxy)-N-(3-chloro-2-etho' non-polymer        63  31 .
D5G      D5G '(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)' non-polymer        49  24 .
D5M      D5M '2'-DEOXYADENOSINE-5'-MONOPHOSPHATE  ' non-polymer        34  22 .
D64      D64 '6-(4-methylphenyl)quinazoline-2,4-di' non-polymer        33  19 .
D6G      D6G '2-DEOXY-GLUCOSE-6-PHOSPHATE         ' pyranose           26  15 .
D6P      D6P '(3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-P' non-polymer        30  15 .
D71      D71 '1-(3-nitrophenyl)-3-(pyridin-4-ylmet' non-polymer        41  28 .
D72      D72 '"(2R)-6,8-dichloro-7-(2-methylpropox' non-polymer        36  24 .
D76      D76 '(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONY' non-polymer        59  35 .
D78      D78 '(5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-met' non-polymer        82  46 .
D7G      D7G '"((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPR' non-polymer        72  35 .
D7K      D7K '3-[(4-amino-2-methylpyrimidin-5-yl)m' non-polymer        64  39 .
D7P      D7P 'D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYH' non-polymer        51  26 .
D8G      D8G '"6-(2-fluorobenzyl)-2,4-dimethyl-4,6' non-polymer        37  23 .
D8W      D8W '5-[(phenylsulfonyl)amino]-1,3,4-thia' non-polymer        27  19 .
D8Y      D8Y '3-[2-(3-chlorophenyl)ethyl]pyridin-2' non-polymer        29  16 .
D91      D91 '5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDI' non-polymer        64  37 .
D92      D92 'N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-C' non-polymer        58  32 .
D93      D93 'N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-C' non-polymer        58  32 .
D94      D94 '3-[cis-3-(4-methylpiperazin-1-yl)cyc' non-polymer        68  37 .
D9G      D9G 'N-DODECYL-N,N-DIMETHYLGLYCINATE     ' non-polymer        52  19 .
D9Z      D9Z '5-(2-chlorophenyl)-1,3,4-thiadiazole' non-polymer        22  16 .
DA1      DA1 'PYRIDINE-2,5-DIAMINE                ' non-polymer        15   8 .
DA2      DA2 'NG,NG-DIMETHYL-L-ARGININE           ' non-polymer        31  14 .
DA3      DA3 '.                                   ' non-polymer        22  14 .
DA4      DA4 '3-ethynylbenzenesulfonamide         ' non-polymer        19  12 .
DA5      DA5 '5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHY' non-polymer        45  24 .
DA6      DA6 '6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHY' non-polymer        45  24 .
DA7      DA7 '5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO' non-polymer        43  24 .
DA8      DA8 '"octyl 3-deoxy-2-O-(6-deoxy-alpha-L-' non-polymer        67  29 .
DA9      DA9 '2-azido-N-(2-sulfanylethyl)ethanamid' non-polymer        18  10 .
DAA      DAA '8-AMINO-7-CARBOXYAMINO-NONANOIC ACID' non-polymer        38  20 .
DAB      DAB '2,4-DIAMINOBUTYRIC ACID             ' peptide            17   8 .
DAC      DAC '2-DECENOYL N-ACETYL CYSTEAMINE      ' non-polymer        43  18 .
DA       DA  '2'-DEOXYADENOSINE-5'-MONOPHOSPHATE  ' DNA                34  22 .
DAD      DAD '2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHA' non-polymer        41  29 .
DAE      DAE 'O,P-DINITROPHENYL AMINOETHYLDIPHOSPH' non-polymer        36  28 .
DAF      DAF '1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-' pyranose           44  21 .
DAG      DAG '4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRA' pyranose           24  11 .
DAH      DAH '3,4-DIHYDROXYPHENYLALANINE          ' peptide            24  14 .
DAI      DAI '"(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-' non-polymer        53  28 .
DAJ      DAJ 'DECARBAMOYL-2,7-DIAMINOMITOSENE     ' non-polymer        34  18 .
DAK      DAK '4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA  ' non-polymer       104  61 .
DAL      DAL 'D-ALANINE                           ' peptide            12   6 .
DAM      DAM 'N-METHYL-ALPHA-BETA-DEHYDROALANINE  ' non-polymer        13   7 .
DAN      DAN '2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMI' non-polymer        36  20 .
DAO      DAO 'LAURIC ACID                         ' non-polymer        37  14 .
DAP      DAP '6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE' non-polymer        36  21 .
DAQ      DAQ 'O,P-DINITROPHENYL AMINOPROPYLDIPHOSP' non-polymer        39  29 .
DAR      DAR 'D-ARGININE                          ' peptide            26  12 .
DAS      DAS 'D-ASPARTIC ACID                     ' peptide            14   9 .
DAT      DAT '2'-DEOXYADENOSINE-5'-DIPHOSPHATE    ' non-polymer        38  26 .
DAU      DAU '2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA' non-polymer        60  36 .
DAV      DAV 'DELTA-AMINO VALERIC ACID            ' non-polymer        19   8 .
DAX      DAX '5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-' non-polymer        45  24 .
DAY      DAY '1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS' non-polymer        72  36 .
DAZ      DAZ 'diaminozinc                         ' non-polymer         7   3 .
DB0      DB0 'N-(DIBENZO[B,F]OXEPIN-10-YLMETHYL)-N' non-polymer        38  21 .
DB1      DB1 '2,3-DIHYDROXYBENZAMIDE              ' non-polymer        18  11 .
DB9      DB9 '2-{4'-[AMINO(IMINO)METHYL]BIPHENYL-3' non-polymer        45  27 .
DBA      DBA '(2,6-DIMETHYL-PHENOXY)-ACETIC ACID  ' non-polymer        24  13 .
DBB      DBB 'D-ALPHA-AMINOBUTYRIC ACID           ' peptide            15   7 .
DBC      DBC '(4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-' non-polymer        20  10 .
DBD      DBD '"7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-' non-polymer        43  31 .
DBE      DBE 'bis(4-hydroxyphenyl)methanone       ' non-polymer        26  16 .
DBF      DBF 'DIBENZOFURAN-4,6-DICARBOXYLIC ACID  ' non-polymer        25  19 .
DBG      DBG '"3-AMINOBENZOPHENONE-4-YL-AMINOHYDRO' non-polymer        73  47 .
DBH      DBH '2,3-DIHYDROXY-BENZOIC ACID          ' non-polymer        16  11 .
DBI      DBI '"PHOSPHORIC ACID MONO-[5-(5,6-DIMETH' non-polymer        41  24 .
DBK      DBK '"(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyl' non-polymer        96  44 .
DBL      DBL 'DEGLUCOBALHIMYCIN                   ' non-polymer       155  91 .
DBM      DBM '9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-M' non-polymer        36  20 .
DBN      DBN '6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{' non-polymer        50  30 .
DBO      DBO 'N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-' non-polymer        70  38 .
DBP      DBP '1,3-DIAMINOBENZYL PHENYLALANINE     ' non-polymer        19   9 .
DBQ      DBQ 'DEBROMOHYMENIALDISINE               ' non-polymer        29  18 .
DBR      DBR '"ADAMANTANE-1-CARBOXYLIC ACID-5-DIME' non-polymer        71  34 .
DBS      DBS '2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYD' non-polymer        27  17 .
DBT      DBT '5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE' non-polymer        36  19 .
DBU      DBU '(2E)-2-AMINOBUT-2-ENOIC ACID        ' non-polymer        13   7 .
DBV      DBV '15,16-DIHYDROBILIVERDIN             ' non-polymer        77  43 .
DBW      DBW '4,14-dihydro-8H-[1,3]dioxolo[4,5-g]i' non-polymer        38  23 .
DBX      DBX '2,5-dihydroxybenzenesulfonic acid   ' non-polymer        18  12 .
DBY      DBY '3,5 DIBROMOTYROSINE                 ' peptide            23  15 .
DBZ      DBZ '3-(BENZOYLAMINO)-L-ALANINE          ' non-polymer        26  15 .
DC2      DC2 'N-acetyl-S-[(1S)-1,2-dichloroethyl]-' non-polymer        24  14 .
DC8      DC8 '(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDRO' non-polymer        39  23 .
DCA      DCA 'DESULFO-COENZYME A                  ' non-polymer        79  47 .
DCB      DCB '2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-B' non-polymer        58  35 .
DCC      DCC 'DODECYL-COA                         ' non-polymer       115  61 .
DC       DC  '2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE   ' DNA                32  20 .
DCD      DCD 'DIETHYLCARBAMODITHIOIC ACID         ' non-polymer        19   8 .
DCE      DCE '1,2-DICHLOROETHANE                  ' non-polymer         8   4 .
DCF      DCF '2'-DEOXYCOFORMYCIN                  ' non-polymer        35  19 .
DCH      DCH '3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-' non-polymer        63  32 .
DCI      DCI '2-METHYL-BUTYLAMINE                 ' non-polymer        19   6 .
DCL      DCL '2-AMINO-4-METHYL-PENTAN-1-OL        ' non-polymer        23   8 .
DCM      DCM '2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE   ' non-polymer        32  20 .
DCN      DCN 'DICLOSAN                            ' non-polymer        24  16 .
DCO      DCO '3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYL' non-polymer        16  12 .
DCP      DCP '2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE    ' non-polymer        40  28 .
DCQ      DCQ '2-decyl-5,6-dimethoxy-3-methylcycloh' non-polymer        53  23 .
DCR      DCR 'icosanoic acid                      ' non-polymer        61  22 .
DCS      DCS 'D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer        36  22 .
DCT      DCT '.                                   ' non-polymer        39  27 .
DCU      DCU '.                                   ' non-polymer        80  36 .
DCX      DCX 'DECYL(DIMETHYL)PHOSPHINE OXIDE      ' non-polymer        41  14 .
DCY      DCY 'D-CYSTEINE                          ' peptide            13   7 .
DCZ      DCZ '2'-DEOXYCYTIDINE                    ' non-polymer        29  16 .
DD1      DD1 '5-{[1-(2-fluorobenzyl)piperidin-4-yl' non-polymer        52  28 .
DD2      DD2 '5-{[1-(2,3-dichlorobenzyl)piperidin-' non-polymer        52  29 .
DD3      DD3 '5-[(1S)-1-(3-chlorophenyl)ethoxy]qui' non-polymer        37  22 .
DD9      DD9 'nonane                              ' non-polymer        29   9 .
DDA      DDA '2,6-DIDEOXY-BETA-D-GLUCOSE          ' pyranose           22  10 .
DDC      DDC '7-HYDROXY-2-PHENYL-CHROMAN-4-ONE    ' non-polymer        30  18 .
DDD      DDD '"(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]C' non-polymer        37  22 .
DDE      DDE '"{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-' peptide            44  21 .
DDF      DDF '5,10-DIDEAZATETRAHYDROFOLIC ACID    ' non-polymer        55  32 .
DDG      DDG '2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSP' non-polymer        34  22 .
DDH      DDH '[7,12-DEACETYL-3,8,13,17-TETRAMETHYL' non-polymer        75  45 .
DDI      DDI '.                                   ' non-polymer        70  39 .
DDL      DDL '2,6-DIDEOXY-BETA-D-GALACTOSE        ' pyranose           22  10 .
DDN      DDN '3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOP' DNA                33  20 .
DDO      DDO '6-HYDROXY-D-NORLEUCINE              ' non-polymer        22  10 .
DDP      DDP '2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE ' non-polymer        16  10 .
DDQ      DDQ 'DECYLAMINE-N,N-DIMETHYL-N-OXIDE     ' non-polymer        41  14 .
DDR      DDR '(2S)-3-hydroxypropane-1,2-diyl didec' non-polymer        72  28 .
DDS      DDS '.                                   ' non-polymer        41  29 .
DDT      DDT 'N,O-DIDANSYL-L-TYROSINE             ' non-polymer        77  45 .
DDU      DDU '2'-5'DIDEOXYURIDINE                 ' non-polymer        27  15 .
DDX      DDX '2',3'-DEHYDRO-2',3'-DIDEOXYRIBOFURAN' non-polymer        19  12 .
DDY      DDY '2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE' non-polymer        35  23 .
DDZ      DDZ '3,3-DIHYDROXY L-ALANINE             ' peptide            14   8 .
DE1      DE1 'DECAN-1-OL                          ' non-polymer        33  11 .
DEA      DEA 'D-ERITADENINE                       ' non-polymer        28  18 .
DEB      DEB '6-DEOXYERYTHRONOLIDE B              ' non-polymer        65  27 .
DEC      DEC 'SEBACIC ACID                        ' non-polymer        30  14 .
DED      DED '2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE   ' non-polymer        24  14 .
DEE      DEE '3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLI' non-polymer        24  12 .
#DEF      DEF 'DEFEROXAMINE MESYLATE FE(III) COMPLE' non-polymer        95  46 .
DEG      DEG 'BUTYL ALPHA-D-MANNOPYRANOSIDE       ' non-polymer        36  16 .
DEH      DEH '2,9-dihydroxy-3,10-dimethoxy-5,6-dih' non-polymer        42  24 .
DEI      DEI '(2Z)-2-hydroxy-3-(methylsulfanyl)pro' non-polymer        13   8 .
DEL      DEL '4-DEOXYLACTOSE                      ' saccharide         44  22 .
DEM      DEM 'DECYLOXY-METHANOL                   ' non-polymer        37  13 .
DEN      DEN 'INDENE                              ' non-polymer        17   9 .
DEO      DEO '.                                   ' non-polymer        59  35 .
DEP      DEP 'DIETHYL PHOSPHONATE                 ' non-polymer        19   8 .
DEQ      DEQ 'DEQUALINIUM                         ' non-polymer        74  34 .
DER      DER 'D-4-PHOSPHOERYTHRONIC ACID          ' non-polymer        19  13 .
DES      DES 'DIETHYLSTILBESTROL                  ' non-polymer        40  20 .
DET      DET 'UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE   ' non-polymer        44  15 .
DEU      DEU 'CO(III)-(DEUTEROPORPHYRIN IX)       ' non-polymer        65  39 .
DEX      DEX 'DEXAMETHASONE                       ' non-polymer        57  28 .
DEY      DEY '(2R)-2-({3-[5-hydroxy-2-(3-methylbut' non-polymer        61  36 .
DEZ      DEZ '4-PHOSPHO-D-ERYTHRONATE             ' non-polymer        19  13 .
DF1      DF1 '(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3' non-polymer        46  26 .
DF2      DF2 '(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYD' non-polymer        47  27 .
DF3      DF3 'N-[2-(3-{[2-(2,3-dihydro-1,4-benzodi' non-polymer        63  39 .
DF9      DF9 '(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d' non-polymer        49  26 .
DFA      DFA 'DIPHENYLACETIC ACID                 ' non-polymer        27  16 .
DFB      DFB '2,3-DIFLUOROBENZYL ALCOHOL          ' non-polymer        16  10 .
DFD      DFD 'DECYL FORMATE                       ' non-polymer        35  13 .
DFE      DFE '2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUO' non-polymer        15  10 .
DFI      DFI '2,2-DIFLUOROSTATINE                 ' non-polymer        28  14 .
DFJ      DFJ 'N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHE' non-polymer        75  46 .
DFK      DFK 'D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO' non-polymer        64  30 .
DFL      DFL '2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE  ' non-polymer        30  18 .
DFM      DFM 'N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(' non-polymer        57  33 .
DFN      DFN '3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHE' non-polymer        50  30 .
DFO      DFO '2,2-DIFLUORO-3-HYDROSTATINE         ' non-polymer        29  15 .
DFP      DFP 'DIISOPROPYL PHOSPHONATE             ' non-polymer        25  10 .
DFQ      DFQ '(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fl' non-polymer        45  28 .
DFR      DFR '3-DEOXY-3-METHYL-D-FRUCTOSE         ' non-polymer        26  12 .
DFT      DFT '1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUOR' DNA                34  21 .
DFU      DFU '(2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4' non-polymer        23  10 .
DFV      DFV '7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROM' non-polymer        31  19 .
DFW      DFW 'N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-' non-polymer        40  26 .
DFX      DFX '1,2-DEOXY-2-FLUORO-XYLOPYRANOSE     ' pyranose           18   9 .
DFY      DFY '(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4' non-polymer        45  26 .
DFZ      DFZ '3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-' non-polymer        43  25 .
DG1      DG1 '(4S)-ISONICOTINIC-ACETYL-NICOTINAMID' non-polymer        85  56 .
DG2      DG2 '2,3-DIPHOSPHOGLYCERIC ACID          ' non-polymer        18  15 .
DG3      DG3 '2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHA' non-polymer        42  30 .
DG6      DG6 '2-DEOXY-GLUCITOL-6-PHOSPHATE        ' non-polymer        28  15 .
DGA      DGA 'DIACYL GLYCEROL                     ' non-polymer       120  44 .
DGB      DGB 'N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]' non-polymer        60  29 .
DGC      DGC '4-DEOXY-ALPHA-L-THREO-HEX-4-ENOPYRAN' non-polymer        19  12 .
DG       DG  '2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE  ' DNA                35  23 .
DGD      DGD 'DIGALACTOSYL DIACYL GLYCEROL (DGDG) ' non-polymer       162  66 .
DGG      DGG '1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEX' non-polymer       124  50 .
DGI      DGI '2'-DEOXYGUANOSINE-5'-DIPHOSPHATE    ' non-polymer        39  27 .
DGL      DGL 'D-GLUTAMIC ACID                     ' peptide            17  10 .
DGN      DGN 'D-GLUTAMINE                         ' peptide            19  10 .
DGP      DGP '2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE  ' non-polymer        35  23 .
DGS      DGS '3,6-ANHYDRO-D-GALACTOSE-2-SULFATE   ' pyranose           25  15 .
DGT      DGT '2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE   ' non-polymer        43  31 .
DGX      DGX 'DIGOXIN                             ' non-polymer       119  55 .
DGY      DGY '(2R)-2,3-DIHYDROXYPROPANOIC ACID    ' non-polymer        12   7 .
DH1      DH1 '2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOX' non-polymer        46  25 .
DH2      DH2 '(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,' non-polymer        34  22 .
DH3      DH3 '.                                   ' non-polymer        48  27 .
DH9      DH9 '(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY' non-polymer        90  36 .
DHA      DHA '2-AMINO-ACRYLIC ACID                ' non-polymer        10   6 .
DHB      DHB '3,4-DIHYDROXYBENZOIC ACID           ' non-polymer        16  11 .
DHC      DHC 'CAFFEIC ACID                        ' non-polymer        20  13 .
DHD      DHD '2,4-DIOXO-PENTANEDIOIC ACID         ' non-polymer        13  11 .
DHE      DHE 'HEME D                              ' non-polymer        77  49 .
DHF      DHF 'DIHYDROFOLIC ACID                   ' non-polymer        51  32 .
DHG      DHG 'PHOSPHONIC ACID 2-DODECANOYLAMINO-HE' non-polymer        69  28 .
DHH      DHH '(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC A' non-polymer        26  12 .
DHI      DHI 'D-HISTIDINE                         ' peptide            20  11 .
DHJ      DHJ '4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORY' non-polymer        24  15 .
DHK      DHK '3-DEHYDROSHIKIMATE                  ' non-polymer        21  12 .
DHL      DHL '2-AMINO-ETHANETHIOL                 ' non-polymer        11   4 .
DHM      DHM '2,6-DIMETHYL-7-OCTEN-2-OL           ' non-polymer        31  11 .
DHP      DHP '3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROL' non-polymer        41  18 .
DHQ      DHQ '3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE ' non-polymer        23  12 .
DHR      DHR '(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANEN' non-polymer        18  11 .
DHS      DHS '3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENE' non-polymer        22  12 .
DHT      DHT '5-ALPHA-DIHYDROTESTOSTERONE         ' non-polymer        51  21 .
DHV      DHV '3-hydroxy-D-valine                  ' peptide            19   9 .
DHY      DHY '2-(3,4-DIHYDROXYPHENYL)ACETIC ACID  ' non-polymer        19  12 .
DHZ      DHZ '3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE NUCLE' non-polymer        30  16 .
DI2      DI2 'AC-(D)PHE-PRO-BOROLYS-OH            ' non-polymer        64  31 .
DI3      DI3 'AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-G' non-polymer        67  33 .
DI4      DI4 'AC-(D)PHE-PRO-BOROHOMOLYS-OH        ' non-polymer        67  32 .
DI5      DI5 'AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH  ' non-polymer        61  30 .
DI6      DI6 '3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]P' non-polymer        19  12 .
DI9      DI9 'DICYCLOPENTYL PHOSPHORAMIDATE       ' non-polymer        35  15 .
DIA      DIA 'OCTANE 1,8-DIAMINE                  ' non-polymer        30  10 .
DIB      DIB '3-AMINO-(DIMETHYLPROPYLAMINE)       ' non-polymer        21   7 .
DIC      DIC '3,4-DICHLOROISOCOUMARIN             ' non-polymer        17  13 .
DI       DI  '2'-DEOXYINOSINE-5'-MONOPHOSPHATE    ' DNA                33  22 .
DID      DID '4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZE' non-polymer        52  26 .
DIE      DIE '2,6-diethylphenol                   ' non-polymer        25  11 .
DIF      DIF '2-[2,6-DICHLOROPHENYL)AMINO]BENZENEA' non-polymer        29  19 .
DIG      DIG '2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL    ' non-polymer        24  11 .
DIH      DIH '3-HYDROXY-4-HYDROXYMETHYL-1-(4-OXO-4' non-polymer        38  19 .
DII      DII 'METHYLPHOSPHONIC ACID DIISOPROPYL ES' non-polymer        28  11 .
DIK      DIK '5-{[4-(5-methyl-3-oxohex-4-en-1-yl)p' non-polymer        45  23 .
DIL      DIL 'D-ISOLEUCINE                        ' peptide            21   9 .
DIM      DIM 'DIIMIDAZOLE LEXITROPSIN             ' non-polymer        46  26 .
DIN      DIN '1,6-DIHYDROXY NAPHTHALENE           ' non-polymer        20  12 .
DIO      DIO '1,4-DIETHYLENE DIOXIDE              ' non-polymer        14   6 .
DIP      DIP 'DIPENTYLAMINE                       ' non-polymer        34  11 .
DIQ      DIQ '2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CA' non-polymer        32  14 .
DIR      DIR '3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AM' peptide            20  11 .
DIT      DIT 'DITERCALINIUM                       ' non-polymer       104  54 .
DIU      DIU '2-HYDROXY-3,5-DIIODO-BENZOIC ACID   ' non-polymer        15  12 .
DIV      DIV 'D-ISOVALINE                         ' peptide            18   8 .
DIX      DIX 'METHYL(CYCLOPENTYL-PROPYL)AMINE     ' non-polymer        29  10 .
DIY      DIY '5-BUTYLPIPERIDINE                   ' non-polymer        29  10 .
DIZ      DIZ '"(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)' non-polymer        46  32 .
DJK      DJK 'N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLI' non-polymer        36  23 .
DJR      DJR '"(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FU' non-polymer        77  39 .
DJZ      DJZ '3,5-dimethyl-4-{[2-({1-[4-(methylsul' non-polymer        64  35 .
DK1      DK1 '5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CA' non-polymer        20  16 .
DK2      DK2 '"2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENY' non-polymer        37  26 .
DK4      DK4 '1-(3-deoxy-3-fluoro-beta-D-glucopyra' non-polymer        32  20 .
DK5      DK5 '1-(2,3-dideoxy-3-fluoro-beta-D-arabi' non-polymer        44  26 .
DKA      DKA 'DECANOIC ACID                       ' non-polymer        31  12 .
DKD      DKD '(2S)-2-(4-phenethylphenoxy)-3-phenyl' non-polymer        47  26 .
DKI      DKI '5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]' non-polymer        41  28 .
DKK      DKK 'N-[2-(carbamimidamidooxy)ethyl]-2-{6' non-polymer        51  31 .
DKT      DKT '"4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CY' non-polymer       110  55 .
DKX      DKX '1-(3-deoxy-3-fluoro-beta-D-glucopyra' non-polymer        32  19 .
DKY      DKY '1-(3-deoxy-3-fluoro-beta-D-glucopyra' non-polymer        45  27 .
DKZ      DKZ '4-amino-1-(3-deoxy-3-fluoro-beta-D-g' non-polymer        33  19 .
DL4      DL4 '(14beta,17alpha,25R)-3-oxocholest-4-' non-polymer        71  30 .
DL6      DL6 '2-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-TR' non-polymer        32  18 .
DL7      DL7 '(5beta,14beta,17alpha,25R)-3-oxochol' non-polymer        71  30 .
DL8      DL8 'N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)A' non-polymer        46  26 .
DLE      DLE 'D-LEUCINE                           ' peptide            21   9 .
DLF      DLF '2-DEOXY-ALPHA-L-FUCOPYRANOSIDE      ' pyranose           22  10 .
DLG      DLG 'HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE' pyranose           41  17 .
DLI      DLI '(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHEN' non-polymer        50  31 .
DLN      DLN '3-{[4-amino-1-(1-methylethyl)-1H-pyr' non-polymer        37  22 .
DLP      DLP '1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHO' non-polymer       134  54 .
DLQ      DLQ 'DIHYDROMICROCYSTIN-LA               ' non-polymer       134  65 .
DLS      DLS 'DI-ACETYL-LYSINE                    ' non-polymer        33  16 .
DLY      DLY 'D-LYSINE                            ' peptide            23  10 .
DLZ      DLZ '1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,' non-polymer        41  23 .
DM0      DM0 'N~2~,N~2~,N~6~,N~6~-tetramethyl-L-ly' non-polymer        35  14 .
DM1      DM1 'DAUNOMYCIN                          ' non-polymer        67  38 .
DM2      DM2 'DOXORUBICIN                         ' non-polymer        68  39 .
DM3      DM3 '6-DEOXYDAUNOMYCIN                   ' non-polymer        66  37 .
DM4      DM4 '1-O-DEMETHYL-6-DEOXYDOXORUBICIN     ' non-polymer        64  37 .
DM5      DM5 'IDARUBICIN                          ' non-polymer        63  36 .
DM6      DM6 '4'-EPIDOXORUBICIN                   ' non-polymer        69  39 .
DM7      DM7 '4'-DEOXY-4'-IODODOXORUBICIN         ' non-polymer        68  39 .
DM8      DM8 '2'-BROMO-4'-EPIDAUNORUBICIN         ' non-polymer        67  39 .
DM9      DM9 'N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-D' non-polymer        83  44 .
DMA      DMA 'DIMETHYLALLYL DIPHOSPHATE           ' non-polymer        23  14 .
DMB      DMB '.                                   ' non-polymer        33  20 .
DMC      DMC '3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-' non-polymer        36  18 .
DMD      DMD '5,6-DIMETHYLBENZIMIDAZOLE           ' non-polymer        21  11 .
DME      DME 'DECAMETHONIUM ION                   ' non-polymer        56  18 .
DMF      DMF 'DIMETHYLFORMAMIDE                   ' non-polymer        12   5 .
DMG      DMG 'N,N-DIMETHYLGLYCINE                 ' non-polymer        15   7 .
DMH      DMH 'N4,N4-DIMETHYL-ASPARAGINE           ' peptide            22  11 .
DMI      DMI '2,3-DIMETHYLIMIDAZOLIUM ION         ' non-polymer        16   7 .
DMJ      DMJ '1-DEOXYMANNOJIRIMYCIN               ' non-polymer        24  11 .
DMK      DMK '3,3-DIMETHYL ASPARTIC ACID          ' peptide            20  11 .
DMM      DMM '3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLI' non-polymer        83  46 .
DMN      DMN 'DIMETHYLAMINE                       ' non-polymer        10   3 .
DMO      DMO 'ALPHA-DIFLUOROMETHYLORNITHINE       ' non-polymer        23  12 .
DMP      DMP '[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer        80  42 .
DMQ      DMQ '[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer        76  40 .
DMR      DMR '2-HYDROXY-SUCCINIC ACID             ' non-polymer        13   9 .
DMS      DMS 'DIMETHYL SULFOXIDE                  ' non-polymer        10   4 .
DMT      DMT '3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMIN' M-peptide          35  15 .
DMU      DMU 'DECYL-BETA-D-MALTOPYRANOSIDE        ' non-polymer        75  33 .
DMV      DMV '2,3-DIHYDROXY-VALERIANIC ACID       ' non-polymer        21  10 .
DMW      DMW '2,3-DIMETHYL-1,4-NAPHTHOQUINONE     ' non-polymer        24  14 .
DMX      DMX '3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1' non-polymer        36  17 .
DMY      DMY 'DISTAMYCIN A                        ' non-polymer        62  35 .
DMZ      DMZ '4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYR' non-polymer        40  23 .
DN1      DN1 '"3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)' non-polymer        68  39 .
DN2      DN2 '"3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)' non-polymer        68  39 .
DNA      DNA '1,4-dihydroxy-2-naphthoic acid      ' non-polymer        22  15 .
DNB      DNB '(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-' non-polymer        34  17 .
DNC      DNC '3,5-DINITROCATECHOL                 ' non-polymer        18  14 .
DN       DN  '.                                   ' DNA                21  12 .
DND      DND 'NICOTINIC ACID ADENINE DINUCLEOTIDE ' non-polymer        68  44 .
DNE      DNE 'D-NORLEUCINE                        ' peptide            21   9 .
DNF      DNF '2,4-DINITROPHENOL                   ' non-polymer        17  13 .
DNG      DNG 'N-FORMYL-D-NORLEUCINE               ' non-polymer        23  11 .
DNH      DNH '1R,2R-DIAMINOCYCLOHEXANE            ' non-polymer        22   8 .
DNL      DNL '6-AMINO-HEXANAL                     ' non-polymer        21   8 .
DNM      DNM 'N-METHYL-D-NORLEUCINE               ' non-polymer        24  10 .
DNN      DNN '7,8-DIAMINO-NONANOIC ACID           ' non-polymer        32  13 .
DNO      DNO 'D-mannose                           ' non-polymer        24  12 .
DNP      DNP '3-AMINO-ALANINE                     ' peptide            15   7 .
DNQ      DNQ '6,7-DINITROQUINOXALINE-2,3-DIONE    ' non-polymer        20  18 .
DNR      DNR '.                                   ' DNA                33  20 .
DNS      DNS 'N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]' peptide            50  26 .
DNT      DNT '2-[1-METHYLHEXYL]-4,6-DINITROPHENOL ' non-polymer        38  20 .
DO2      DO2 '5,5-dihydroxy-6-oxo-L-norleucine    ' peptide            22  12 .
DO3      DO3 '10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-T' non-polymer        57  28 .
DO4      DO4 '2,5-DIOXOPENTANOIC ACID             ' non-polymer        14   9 .
DO8      DO8 '3-DEOXY-D-MANNO-2-OCTULOSONATE-8-PHO' non-polymer        32  20 .
DOA      DOA '12-AMINO-DODECANOIC ACID            ' non-polymer        39  15 .
DOB      DOB '2,4-DIHYDROXYBENZOIC ACID           ' non-polymer        16  11 .
DOC      DOC '2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHA' non-polymer        31  19 .
DOD      DOD 'DEUTERATED WATER                    ' non-polymer         7   3 .
DOE      DOE '"(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-AC' non-polymer        80  43 .
DOF      DOF '"(S)-2-(4-NITROBENZYL)-1,4,7,10-TETR' non-polymer        67  38 .
DOG      DOG 'DIGOXIGENIN                         ' non-polymer        62  28 .
DOI      DOI '9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' non-polymer        36  26 .
DOL      DOL '5-(2-DIETHYLAMINO-ETHANESULFONYL)-21' non-polymer        98  48 .
DOM      DOM '2'-DEOXYMALTOSE                     ' saccharide         44  22 .
DON      DON '6-DIAZENYL-5-OXO-L-NORLEUCINE       ' peptide            22  12 .
DOP      DOP 'DIOCTYLPHOSPHATE                    ' non-polymer        55  21 .
DOQ      DOQ '"(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-' non-polymer        40  22 .
DOR      DOR '(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-' non-polymer        16  11 .
DOS      DOS '.                                   ' non-polymer        71  30 .
DOT      DOT '3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'' non-polymer        56  39 .
DOZ      DOZ "(dimethylamino)(hydroxy)zinc'       " non-polymer        12   5 .
DP1      DP1 'L-N(OMEGA)-NITROARGININE-2,4-L-DIAMI' non-polymer        44  22 .
DP2      DP2 'L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDR' non-polymer        52  24 .
DP3      DP3 'N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMI' non-polymer        38  17 .
DP4      DP4 '(1s,4s)-4-[dimethyl(phenyl)silyl]-1-' non-polymer        40  17 .
DP5      DP5 '1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSY' non-polymer        66  34 .
DP6      DP6 '"(3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOS' non-polymer        28  18 .
DP7      DP7 'AC-(D)PHE-PRO-BOROARG-OH            ' non-polymer        66  33 .
DP9      DP9 'L-N(OMEGA)-NITROARGININE-(4R)-AMINO-' non-polymer        45  23 .
DPA      DPA '.                                   ' non-polymer        34  19 .
DPB      DPB '"(S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHON' non-polymer        47  28 .
DPC      DPC '"5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-' non-polymer        54  28 .
DPD      DPD '.                                   ' non-polymer        86  38 .
DPE      DPE 'N-UNDECANYLPHOSPHONATE METHYL ESTER ' non-polymer        42  15 .
DPF      DPF 'DIETHYL HYDROGEN PHOSPHATE          ' non-polymer        19   9 .
DPG      DPG '"PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-' non-polymer       152  59 .
DPH      DPH 'DEAMINO-METHYL-PHENYLALANINE        ' non-polymer        23  12 .
DPI      DPI 'DECAPLANIN                          ' non-polymer       195 110 .
DPJ      DPJ 'O,O-DIETHYL HYDROGEN THIOPHOSPHATE  ' non-polymer        20   9 .
DPK      DPK 'DEPRENYL                            ' non-polymer        33  14 .
DPL      DPL '4-OXOPROLINE                        ' P-peptide          15   9 .
DPM      DPM '"3-{2-[4-(2-CARBOXY-ETHYL)-3-CARBOXY' non-polymer        50  30 .
DPN      DPN 'D-PHENYLALANINE                     ' peptide            22  12 .
DPO      DPO 'DIPHOSPHATE                         ' non-polymer         9   9 .
DPP      DPP 'DIAMMINOPROPANOIC ACID              ' peptide            14   7 .
DPQ      DPQ '(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOH' peptide            24  14 .
DPR      DPR 'D-PROLINE                           ' P-peptide          16   8 .
DPS      DPS '"3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PI' non-polymer        64  36 .
DPT      DPT '4,7-DIMETHYL-[1,10]PHENANTHROLINE   ' non-polymer        28  16 .
DPU      DPU 'MIXED CARBAMIC PHOSPHORIC ACID ANHYD' non-polymer        38  20 .
DPV      DPV 'dodecyl 2-(trimethylammonio)ethyl ph' non-polymer        61  23 .
DPW      DPW 'decyl 2-trimethylazaniumylethyl phos' non-polymer        55  21 .
DPX      DPX '"MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDI' non-polymer        43  26 .
DPY      DPY '.                                   ' non-polymer        34  24 .
DPZ      DPZ '3,5-DIAMINOPHTHALHYDRAZIDE          ' non-polymer        22  14 .
DQ1      DQ1 '"ethyl 4-(5-{[(2,4-diaminoquinazolin' non-polymer        58  31 .
DQA      DQA '1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECA' non-polymer        22  13 .
DQB      DQB '"4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQ' non-polymer        49  29 .
DQH      DQH '(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,' non-polymer        34  22 .
DQN      DQN 'DUROQUINONE                         ' non-polymer        24  12 .
DQO      DQO '1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUO' non-polymer        53  33 .
DQQ      DQQ '2,5-DIDEOXY-2,5-IMINO-D-MANNITOL    ' non-polymer        24  11 .
DQR      DQR 'ALPHA-D-FRUCTOFURANOSYL-ALPHA-D-FRUC' pyranose           66  34 .
DQU      DQU '2,6-DIAMINO-3H-QUINAZOLIN-4-ONE     ' non-polymer        21  13 .
DQX      DQX '8-[3,5-difluoro-4-(morpholin-4-ylmet' non-polymer        64  36 .
DR0      DR0 'N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-' non-polymer        33  11 .
DR1      DR1 '5-METHYL-5H-INDOLO[3,2-B]QUINOLINE  ' non-polymer        30  18 .
DR2      DR2 '6-DEOXY-ALPHA-L-IDOPYRANOSYL-(1->2)-' non-polymer        71  36 .
DR3      DR3 '6-DEOXY-ALPHA-L-GLUCOPYRANOSYL-(1->2' non-polymer        73  36 .
DR4      DR4 'METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NO' pyranose           54  24 .
DR5      DR5 'METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-' non-polymer        48  24 .
DR6      DR6 '"ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTY' non-polymer       247 105 .
DR7      DR7 '"(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHY' non-polymer       103  51 .
DR8      DR8 'N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-A' non-polymer        23  11 .
DR9      DR9 '1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADEC' non-polymer       125  51 .
DRA      DRA '11-DEOXY-BETA-RHODOMYCIN            ' non-polymer       106  55 .
DRB      DRB '.                                   ' non-polymer       116  59 .
DRC      DRC '9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4' non-polymer        48  26 .
DRD      DRD '"2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAP' non-polymer        75  41 .
DRE      DRE 'N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE  ' non-polymer        44  15 .
DRF      DRF '(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZI' non-polymer        55  31 .
DRG      DRG '5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMI' non-polymer        26  15 .
DRH      DRH '"(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(H' non-polymer        68  33 .
DRI      DRI '4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOS' pyranose           25  11 .
DRJ      DRJ '"(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(H' non-polymer        68  33 .
DRK      DRK '3-({[(3S)-3,4-dihydroxybutyl]oxy}ami' non-polymer        46  27 .
DRL      DRL '2-methyl-3,5,7,8-tetrahydro-4H-thiop' non-polymer        22  12 .
DRM      DRM '"{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROP' non-polymer        34  19 .
DRN      DRN 'BISINDOLYLMALEIMIDE IX              ' non-polymer        56  33 .
DRO      DRO '1-(2-{[(3S)-3-(aminomethyl)-3,4-dihy' non-polymer        72  42 .
DRP      DRP '2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-MON' non-polymer        30  18 .
DRQ      DRQ '(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1' non-polymer        54  24 .
DRR      DRR '.                                   ' non-polymer       100  49 .
DRS      DRS '"(9S,12S)-9-(1-methylethyl)-7,10-dio' non-polymer        51  26 .
DRU      DRU '.                                   ' non-polymer        71  30 .
DRV      DRV '"[(2S,3R,4R,5R)-5-(6-amino-9H-purin-' non-polymer        44  27 .
DRW      DRW '(3S,4R,5S)-5-[(1S,2R)-1-formyl-2-hyd' non-polymer        54  27 .
DRX      DRX '"[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL' non-polymer        43  28 .
DRY      DRY '"[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHT' non-polymer        69  39 .
DRZ      DRZ '3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHAT' DNA                22  13 .
DSA      DSA '"4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETH' non-polymer        60  35 .
DSB      DSB '4,7-DIOXOSEBACIC ACID               ' non-polymer        28  16 .
DSC      DSC 'DODECANESULFONATE ION               ' non-polymer        41  16 .
DSD      DSD '7-(CARBOXYAMINO)-8-AMINO-NONANOIC AC' non-polymer        35  16 .
DSE      DSE 'N-METHYL-D-SERINE                   ' M-peptide          16   8 .
DSG      DSG 'D-ASPARAGINE                        ' peptide            16   9 .
DSI      DSI '"4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-' non-polymer        48  29 .
DSK      DSK '"(2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,' non-polymer        48  22 .
DSM      DSM '3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEP' non-polymer        42  20 .
DSN      DSN 'D-SERINE                            ' peptide            13   7 .
DSO      DSO '"ADAMANTANE-1-CARBOXYLIC ACID-5-DIME' non-polymer        83  38 .
DSR      DSR '2,6-DIDEOXY-4-THIO-BETA-D-ALLOSEPYRA' pyranose           22  10 .
DSS      DSS 'METHYL METHYLSULFINYLMETHYL SULFIDE ' non-polymer        14   6 .
DST      DST 'DIMETHYLALLYL S-THIOLODIPHOSPHATE   ' non-polymer        26  14 .
DSU      DSU '"((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYD' non-polymer        74  34 .
DSV      DSV 'N-(dibenzo[b,d]thiophen-3-ylsulfonyl' non-polymer        40  24 .
DSY      DSY '5-(DIMETHYLAMINO)-2-NAPHTHALENESULFO' non-polymer        30  17 .
DT1      DT1 '4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIA' non-polymer        50  28 .
DT2      DT2 '4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZO' non-polymer        48  27 .
DT3      DT3 '(2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTA' non-polymer        20  11 .
DT4      DT4 '4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2' non-polymer        50  28 .
DT5      DT5 '4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO' non-polymer        47  27 .
DT6      DT6 '2,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-2,4' pyranose           35  17 .
DT7      DT7 '6,7-dimethoxy-3,4-dihydroisoquinolin' non-polymer        34  18 .
DT8      DT8 'N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-' non-polymer        68  37 .
DTA      DTA '"(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-' non-polymer        62  38 .
DTB      DTB '6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)' non-polymer        32  15 .
DTC      DTC 'BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2' non-polymer        37  25 .
T        T   "THYMIDINE-5'-MONOPHOSPHATE          " RNA                35  22 .
DT       DT  'THYMIDINE-5'-MONOPHOSPHATE          ' DNA                34  21 .
DTD      DTD 'DITHIANE DIOL                       ' non-polymer        16   8 .
DTE      DTE '7-CL-D-TRYPTOPHAN                   ' non-polymer        26  16 .
DTF      DTF '"4-[(10S,14S,18S)-18-(2-AMINO-2-OXOE' non-polymer        94  49 .
DTG      DTG 'DES-AMINO T-BUTYL GLYCINE           ' non-polymer        19   8 .
DTH      DTH 'D-THREONINE                         ' peptide            16   8 .
DTI      DTI '3,4-DIMETHYLTHIAZOLIUM ION          ' non-polymer        15   7 .
DTL      DTL 'D-TREITOL                           ' non-polymer        18   8 .
DTM      DTM '"2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHO' non-polymer        49  27 .
DTN      DTN 'DITHIONITE                          ' non-polymer         6   6 .
DTO      DTO '1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-' non-polymer        19   9 .
DTP      DTP '.                                   ' non-polymer        42  30 .
DTQ      DTQ '4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQU' non-polymer        37  22 .
DTR      DTR 'D-TRYPTOPHAN                        ' peptide            26  15 .
DTT      DTT '2,3-DIHYDROXY-1,4-DITHIOBUTANE      ' non-polymer        18   8 .
DTU      DTU '(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIO' non-polymer        18   8 .
DTV      DTV '(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIO' non-polymer        18   8 .
DTX      DTX 'DIGITOXIGENIN                       ' non-polymer        61  27 .
DTY      DTY 'D-TYROSINE                          ' peptide            23  13 .
DTZ      DTZ 'zinc(II)hydrogensulfide             ' non-polymer         5   3 .
DUM      DUM 'dummy atom                          ' non-polymer         1   1 .
DUC      DUC 'DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE  ' non-polymer        14   8 .
DU       DU  '2'-DEOXYURIDINE-5'-MONOPHOSPHATE    ' DNA                31  20 .
DUD      DUD 'DEOXYURIDINE-5'-DIPHOSPHATE         ' non-polymer        35  24 .
DUN      DUN '.                                   ' non-polymer        39  24 .
DUO      DUO '"4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5' non-polymer        64  37 .
DUP      DUP '.                                   ' non-polymer        42  28 .
DUR      DUR '2'-DEOXYURIDINE                     ' non-polymer        28  16 .
DUT      DUT 'DEOXYURIDINE-5'-TRIPHOSPHATE        ' non-polymer        39  28 .
DUX      DUX '2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE' non-polymer        60  35 .
DVA      DVA 'D-VALINE                            ' peptide            18   8 .
DVP      DVP '"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-' non-polymer        56  32 .
DVR      DVR '"3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSU' non-polymer        40  26 .
DVT      DVT 'DECAVANADATE                        ' non-polymer        38  38 .
DVV      DVV 'DESVANCOSAMINYL VANCOMYCIN          ' non-polymer       152  91 .
DW1      DW1 'Ruthenium pyridocarbazole           ' non-polymer        44  31 .
DW2      DW2 'RU-PYRIDOCARBAZOLE-2                ' non-polymer        44  31 .
DWC      DWC 'PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(' non-polymer        40  31 .
DWZ      DWZ '"(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylc' non-polymer        52  26 .
DX1      DX1 '6,7-bis(1-methylethyl)pteridine-2,4-' non-polymer        36  18 .
DX2      DX2 '6-phenylpteridine-2,4,7-triamine    ' non-polymer        30  19 .
DX3      DX3 '6,7,7-trimethyl-7,8-dihydropteridine' non-polymer        29  15 .
DX4      DX4 '2-amino-1,9-dihydro-6H-purine-6-thio' non-polymer        16  11 .
DX5      DX5 'D-XYLITOL-5-PHOSPHATE               ' non-polymer        25  14 .
DX6      DX6 '2-amino-5-(2-phenylethyl)-3,7-dihydr' non-polymer        33  19 .
DX7      DX7 '2-amino-4-oxo-6-phenyl-4,7-dihydro-3' non-polymer        28  19 .
DX8      DX8 '2-amino-6-(4-methoxyphenyl)-4-oxo-4,' non-polymer        32  21 .
DX9      DX9 '"(2S)-3-(7-carbamimidoylnaphthalen-2' non-polymer        60  33 .
DXA      DXA '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer        61  31 .
DXB      DXB '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer        52  28 .
DXC      DXC '(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROX' non-polymer        67  28 .
DXD      DXD '(1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCL' DNA                24  13 .
DXE      DXE '1,2-DIMETHOXYETHANE                 ' non-polymer        16   6 .
DXG      DXG '4-DEOXYGLUCARATE                    ' non-polymer        21  13 .
DXI      DXI 'beta-D-glucopyranosyl-(1->4)-beta-D-' non-polymer        66  34 .
DXP      DXP '1-DEOXY-D-XYLULOSE-5-PHOSPHATE      ' non-polymer        22  13 .
DXQ      DXQ '7-[3-(dimethylamino)propoxy]-6-metho' non-polymer        78  35 .
DXR      DXR '3-(3-bromobenzyl)-1-tert-butyl-1H-py' non-polymer        40  22 .
DXT      DXT '(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLA' non-polymer        56  32 .
DXX      DXX 'METHYLMALONIC ACID                  ' non-polymer        12   8 .
DY6      DY6 '"2-({[3-(3,4-dihydroisoquinolin-2(1H' non-polymer        50  31 .
DYB      DYB '4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-' non-polymer        26  11 .
DYG      DYG '"(3S)-3-amino-3-[(4Z)-1-(carboxymeth' non-polymer        37  24 .
DYH      DYH '"(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-' non-polymer        39  21 .
DYM      DYM '"6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMID' non-polymer        36  20 .
DYN      DYN '.                                   ' non-polymer       104  60 .
DYP      DYP '1-[1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)' non-polymer        59  31 .
DYS      DYS 'S-[5-(2-aminoethyl)-2,3-dihydroxyphe' peptide            33  18 .
DYY      DYY '1-[(2,6-difluorophenyl)sulfonyl]-4-(' non-polymer        48  30 .
DZ1      DZ1 'N-(3,5-dibromo-4-hydroxyphenyl)-2,6-' non-polymer        33  20 .
DZ2      DZ2 '2,5-dichloro-N-(3,5-dibromo-4-hydrox' non-polymer        27  20 .
DZ3      DZ3 'N-(3,5-dibromo-4-hydroxyphenyl)-4-hy' non-polymer        34  21 .
DZ4      DZ4 '"2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hyd' non-polymer        45  30 .
DZ8      DZ8 '2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-' non-polymer        51  29 .
DZ9      DZ9 '3-amino-N-(3-fluorophenyl)-6-thiophe' non-polymer        37  25 .
DZD      DZD '"5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carb' non-polymer        77  44 .
DZE      DZE 'methyl (3S)-3-[(tert-butoxycarbonyl)' non-polymer        36  17 .
DZF      DZF '5-DEAZAFOLIC ACID                   ' non-polymer        50  32 .
DZG      DZG '1-(2,3-dihydro-1,4-benzodioxin-6-yls' non-polymer        52  30 .
DZM      DZM '3-deaza-3-methyladenine             ' DNA                38  23 .
DZN      DZN 'DAIDZIN                             ' non-polymer        50  30 .
DZO      DZO '3-(3-aminophenyl)-N-(3-chlorophenyl)' non-polymer        38  24 .
DZP      DZP '7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYD' non-polymer        33  20 .
DZZ      DZZ 'O,O-DIMETHYL HYDROGEN THIOPHOSPHATE ' non-polymer        14   7 .
E04      E04 '"3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-' non-polymer        62  29 .
E09      E09 '3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL' non-polymer        39  21 .
E10      E10 '.                                   ' non-polymer        76  34 .
E11      E11 'N~4~-(1-benzylpiperidin-4-yl)-N~2~-[' non-polymer        73  35 .
E12      E12 '.                                   ' non-polymer        82  36 .
E13      E13 '"N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethyl' non-polymer       103  50 .
E14      E14 '"(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2' non-polymer        94  45 .
E15      E15 '"(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2' non-polymer        97  46 .
E16      E16 '(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-' non-polymer       100  47 .
E17      E17 '.                                   ' non-polymer       118  56 .
E18      E18 '2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL' non-polymer        38  20 .
E19      E19 'N-{(3R,4S)-4-[(L-alanyl-L-prolyl-L-g' non-polymer       150  72 .
E1H      E1H 'ETHANIMINE                          ' non-polymer         8   3 .
E1P      E1P 'ETHYL OXO(PIPERIDIN-1-YL)ACETATE    ' non-polymer        28  13 .
E1X      E1X '"PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,' DNA                40  25 .
E20      E20 '1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON' non-polymer        57  28 .
E2B      E2B '3-{[(9beta,14beta,16alpha,17alpha)-3' non-polymer        61  30 .
E2M      E2M '"cis-4-{[2-({4-[(1E)-3-morpholin-4-y' non-polymer        70  42 .
E2P      E2P 'PROSTAGLANDIN B2                    ' non-polymer        53  24 .
E36      E36 '2-chloro-5-[(6,7-dihydro-1H-[1,4]dio' non-polymer        42  28 .
E3G      E3G 'ESTRONE BETA-D-GLUCURONIDE          ' non-polymer        61  32 .
E3O      E3O '(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TR' non-polymer        45  21 .
E4D      E4D '(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHO' non-polymer        62  33 .
E4H      E4H '(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-' non-polymer        49  21 .
E4M      E4M '.                                   ' non-polymer        95  54 .
E4P      E4P 'ERYTHOSE-4-PHOSPHATE                ' non-polymer        19  12 .
E52      E52 'Methylated Ruthenium Pyridocarbazole' non-polymer        65  42 .
E55      E55 '3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[' non-polymer       211  89 .
E64      E64 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL' non-polymer        54  25 .
E67      E67 '7-[(5-aminopentyl)oxy]-N~4~-(1-benzy' non-polymer        87  40 .
E6C      E6C 'N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LE' non-polymer        49  22 .
E70      E70 'N-{2-[(4-hydroxyphenyl)amino]pyridin' non-polymer        43  26 .
E72      E72 '7-[(5-aminopentyl)oxy]-N~4~-[1-(5-am' non-polymer        91  39 .
E7B      E7B '.                                   ' non-polymer       121  55 .
E86      E86 '4-{2-[(2-chlorophenyl)amino]-5-methy' non-polymer        54  32 .
E89      E89 '6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]' non-polymer        42  25 .
E96      E96 '4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZO' non-polymer        50  32 .
E97      E97 '"[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPO' non-polymer        84  44 .
EA1      EA1 '3H-IMIDAZO[2,1-I]PURINE             ' non-polymer        17  12 .
EA2      EA2 'AMINOETHANOLPYROPHOSPHATE           ' non-polymer        18  12 .
EA5      EA5 '"(4S)-4-AMINO-5-[({3-HYDROXY-2-METHY' non-polymer        43  24 .
EAA      EAA 'ETHACRYNIC ACID                     ' non-polymer        30  19 .
EAB      EAB '(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZE' non-polymer        34  20 .
EAD      EAD '.                                   ' non-polymer        88  54 .
EAG      EAG '2-aminoethyl 2-(acetylamino)-2-deoxy' pyranose           38  18 .
EAH      EAH '(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,' non-polymer        54  23 .
EAL      EAL '1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLP' non-polymer        47  25 .
EAM      EAM '2-[(4S)-6-(4-chlorophenyl)-8-methoxy' non-polymer        52  30 .
EAP      EAP '2-AMINO-VINYL-PHOSPHATE             ' non-polymer        12   8 .
EB1      EB1 'SEOCALCITOL                         ' non-polymer        79  33 .
EB4      EB4 '"N,N',N''-[(3S,7S,11S)-2,6,10-trioxo' non-polymer        75  48 .
EBD      EBD '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        45  26 .
EBG      EBG '2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY' pyranose           35  17 .
EBI      EBI '1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl' non-polymer        58  34 .
EBP      EBP 'DIETHYL 4-METHYLBENZYLPHOSPHONATE   ' non-polymer        35  16 .
EBS      EBS '3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1' non-polymer        50  32 .
EBT      EBT 'N-[(2R,3R)-3-amino-2-hydroxy-4-pheny' non-polymer        45  22 .
EBW      EBW '4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONI' non-polymer        68  30 .
EC2      EC2 '"(2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN' non-polymer        55  33 .
EC5      EC5 '"(2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSUL' non-polymer        58  34 .
ECA      ECA 'N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(ME' non-polymer        69  42 .
ECG      ECG '3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2' non-polymer        31  14 .
ECH      ECH 'beta,beta-caroten-4-one             ' non-polymer        95  41 .
E        E   '.                                   ' DNA                71  45 .
ECL      ECL '1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2' non-polymer        39  24 .
ECN      ECN '1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2' non-polymer        39  24 .
ECO      ECO 'ESTRADIOL-6 CARBOXYL-METHYL-OXIME   ' non-polymer        50  26 .
ECQ      ECQ '(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]' non-polymer        28  12 .
ECS      ECS '2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTR' non-polymer        45  21 .
ECT      ECT 'ECTEINASCIDIN 743                   ' non-polymer        97  54 .
ECX      ECX 'S-ethyl-L-cysteine                  ' peptide            19   9 .
ED1      ED1 '.                                   ' non-polymer       100  53 .
ED2      ED2 'N-benzyl-N-(2-{(4-cyanophenyl)[(1-me' non-polymer        62  35 .
ED4      ED4 '"tert-butyl 4-({(2-{(4-cyanophenyl)[' non-polymer        82  42 .
ED5      ED5 '"tert-butyl 4-({(2-{(4-cyanophenyl)[' non-polymer        85  43 .
ED7      ED7 'N-benzyl-N-(2-{(4-cyanophenyl)[(1-me' non-polymer        65  36 .
EDA      EDA '3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5' DNA                36  24 .
EDB      EDB '2-{3-[(5E)-5-{[(2,3-dichlorophenyl)c' non-polymer        49  32 .
EDC      EDC 'N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MON' DNA                35  22 .
EDD      EDD '2-[3-(3-tert-butyl-5-{[(2,3-dichloro' non-polymer        54  31 .
EDE      EDE 'EDEINE B                            ' non-polymer       113  55 .
EDM      EDM '6-ethenyl-N,N-dimethyl-2-(methylsulf' non-polymer        28  15 .
EDO      EDO '1,2-ETHANEDIOL                      ' non-polymer        10   4 .
EDR      EDR 'EDROPHONIUM ION                     ' non-polymer        28  12 .
EDT      EDT '{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-' non-polymer        32  20 .
EEA      EEA '"N-{3-[3-(3'-chlorobiphenyl-4-yl)iso' non-polymer        68  41 .
EEB      EEB 'URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOS' non-polymer        75  45 .
EEC      EEC 'N-[3-(3-phenylisoxazol-5-yl)propanoy' non-polymer        58  34 .
EED      EED '(9BETA,11ALPHA,13ALPHA,14BETA,17ALPH' non-polymer        51  23 .
EEE      EEE 'ETHYL ACETATE                       ' non-polymer        14   6 .
EEF      EEF 'N-(3-biphenyl-4-ylpropanoyl)-L-alpha' non-polymer        62  35 .
EEG      EEG 'N-{3-[4-(4-phenylthiophen-2-yl)pheny' non-polymer        69  40 .
EEM      EEM '[(3S)-3-amino-4-hydroxy-4-oxo-butyl]' non-polymer        50  27 .
EES      EES '3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDA' non-polymer        27  18 .
EFC      EFC 'S,S-(2-FLUOROETHYL)THIOCYSTEINE     ' peptide            20  11 .
EFP      EFP 'N-{1-[cis-3-(acetylamino)cyclobutyl]' non-polymer        47  25 .
EFQ      EFQ 'N-[1-(cis-3-hydroxycyclobutyl)-1H-im' non-polymer        41  22 .
EFS      EFS 'ETHYL DIHYDROGEN PHOSPHATE          ' non-polymer        12   7 .
EFZ      EFZ '(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-' non-polymer        30  21 .
EG1      EG1 'AMINOMETHYLENECARBONYLAMINODI(ETHYLO' non-polymer        50  26 .
EG2      EG2 'AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLB' non-polymer        43  22 .
EG3      EG3 '"PHENYLALANYLAMINODI(ETHYLOXY)ETHYL ' non-polymer        63  33 .
EGB      EGB '(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHY' non-polymer        39  21 .
EGC      EGC '2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,' non-polymer       100  42 .
EGD      EGD 'N-ETHYLGUANIDINE                    ' non-polymer        15   6 .
EGT      EGT '2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-' non-polymer        36  22 .
EH5      EH5 'N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIH' non-polymer       110  59 .
EH9      EH9 '(2S,3R)-3-(6-amino-9H-purin-9-yl)non' non-polymer        43  20 .
EHA      EHA '(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHY' non-polymer        69  39 .
EHB      EHB '(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzot' non-polymer        29  16 .
EHD      EHD '4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-' non-polymer        42  26 .
EHM      EHM '(2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMI' non-polymer        19  10 .
EHN      EHN 'ETHANE                              ' non-polymer         8   2 .
EI1      EI1 '3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZ' non-polymer        33  19 .
EIC      EIC 'LINOLEIC ACID                       ' non-polymer        51  20 .
EIN      EIN '.                                   ' non-polymer        48  26 .
EIP      EIP '4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE' non-polymer        26  15 .
EIT      EIT '"((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)' DNA                48  29 .
EJ5      EJ5 '4-[3-(2-amino-4-hydroxy-6-oxo-1,6-di' non-polymer        35  21 .
EJT      EJT '1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)' pyranose           87  46 .
EKB      EKB '6-ethyl-5-[3-(3,4,5-trimethoxyphenyl' non-polymer        47  25 .
EKE      EKE '(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC AC' non-polymer        22  10 .
EKO      EKO '4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2' non-polymer        39  24 .
EL3      EL3 '(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,' non-polymer        39  15 .
ELA      ELA '9-OCTADECENOIC ACID                 ' non-polymer        53  20 .
EL       EL  'ELLIPTICINE                         ' non-polymer        34  19 .
ELD      ELD '(9E)-OCTADEC-9-ENAMIDE              ' non-polymer        55  20 .
ELI      ELI '6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAP' non-polymer        38  21 .
ELP      ELP '"(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5' non-polymer        46  28 .
ELV      ELV '"6-(3-chloro-2-fluorobenzyl)-1-[(1S)' non-polymer        53  31 .
EM1      EM1 '.                                   ' non-polymer       125  60 .
EMA      EMA '(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPH' non-polymer        37  26 .
EMB      EMB 'METHYL-CARBAMIC ACID ETHYL ESTER    ' non-polymer        16   7 .
EMC      EMC 'ETHYL MERCURY ION                   ' non-polymer         8   3 .
EMD      EMD '5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4' non-polymer        53  30 .
EMF      EMF 'ethyl (1S,2S)-2-(4-hydroxy-3-methoxy' non-polymer        33  17 .
EML      EML '2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol' non-polymer        56  30 .
EMM      EMM '[METHYL(VINYL)AMINO]METHANOL        ' non-polymer        14   7 .
EMN      EMN '(2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-' non-polymer        37  14 .
EMO      EMO '3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINO' non-polymer        30  20 .
EMP      EMP '2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHY' non-polymer        29  12 .
EMQ      EMQ '1-[2-(dimethylamino)ethyl]-3-{[(2R,4' non-polymer        65  34 .
EMR      EMR 'N-AMINOETHYLMORPHOLINE              ' non-polymer        23   9 .
EMT      EMT '2-(ETHYLMERCURI-THIO)-BENZOIC ACID  ' non-polymer        22  13 .
EMU      EMU 'N-BENZYL-9H-PURIN-6-AMINE           ' non-polymer        28  17 .
EN1      EN1 '(2E)-2-hydroxy-3-(4-hydroxyphenyl)pr' non-polymer        20  13 .
ENA      ENA 'ETHENO-NAD                          ' non-polymer        73  46 .
ENB      ENB '"ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-' non-polymer        82  40 .
ENC      ENC 'ETHYL ISOCYANIDE                    ' non-polymer        10   4 .
END      END '1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,' non-polymer        48  24 .
ENE      ENE '(4Z)-2,8:7,12:11,15:14,18:17,22-PENT' non-polymer        60  30 .
ENH      ENH '1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-' non-polymer        24  19 .
ENL      ENL '(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]hep' non-polymer        21  13 .
ENM      ENM '(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3' non-polymer        68  32 .
ENO      ENO '3-(4-HYDROXY-PHENYL)PYRUVIC ACID    ' non-polymer        20  13 .
ENP      ENP 'ETHENO-NADP                         ' non-polymer        62  42 .
ENQ      ENQ '"[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H' non-polymer        60  38 .
ENS      ENS '"methyl (2Z)-3-[(3-chloro-1H-indol-7' non-polymer        65  36 .
ENT      ENT '"3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3' non-polymer        49  26 .
ENV      ENV '(2R)-N-{3-[(5-fluoro-4-oxopentyl)ami' non-polymer        47  22 .
ENW      ENW '"2-({N-[(2S)-2,4-dihydroxy-3,3-dimet' non-polymer        45  22 .
ENX      ENX 'ENACYLOXIN IIA                      ' non-polymer        91  47 .
EOA      EOA 'N-PHENETHYL-FORMAMIDE               ' non-polymer        22  11 .
EOB      EOB '{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-' non-polymer        36  22 .
EOD      EOD '11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDE' non-polymer        54  21 .
EOH      EOH 'ETHANOL                             ' non-polymer         9   3 .
EOM      EOM 'ETHYLOXYMETHOXYL                    ' non-polymer        12   5 .
EOP      EOP '{ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHAN' non-polymer        32  18 .
EOT      EOT '"[(1-[(BIS-CARBOXYMETHYL-AMINO)-METH' non-polymer        58  34 .
EOV      EOV '.                                   ' non-polymer       196  85 .
EOZ      EOZ '3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZO' non-polymer        38  25 .
EP0      EP0 'N-[(3R)-4-ethoxy-3-hydroxy-4-oxobuta' non-polymer        53  26 .
EP1      EP1 '3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]' non-polymer        36  16 .
EP2      EP2 '"methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-' non-polymer        81  41 .
EPA      EPA '5,8,11,14,17-EICOSAPENTAENOIC ACID  ' non-polymer        51  22 .
EPB      EPB '7,11-DIHYDROXY-8,8,10,12,16-PENTAMET' non-polymer        76  35 .
EPC      EPC '"(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5' non-polymer        36  22 .
EP       EP  'EPOTHILONE A                        ' non-polymer        73  34 .
EPD      EPD 'EPOTHILONE D                        ' non-polymer        75  34 .
EPE      EPE '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHA' .                  32  15 .
EPG      EPG '2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TE' pyranose           32  16 .
EPH      EPH 'L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAM' non-polymer       116  49 .
EPI      EPI '4-ETHYLPIPERIDINE                   ' non-polymer        23   8 .
EPJ      EPJ 'EPIBATIDINE                         ' non-polymer        27  14 .
EPL      EPL 'DIETHYL 4-METHOXYPHENYL PHOSPHATE   ' non-polymer        34  17 .
EPM      EPM 'N-PALMITOYL-L-METHIONINE            ' non-polymer        66  26 .
EPN      EPN '3-(4-NITRO-PHENOXY)-PROPAN-1-OL     ' non-polymer        25  14 .
EPO      EPO '(2R,3R)-oxirane-2,3-dicarboxylic aci' non-polymer        11   9 .
EPQ      EPQ '(4S)-4-amino-6-fluoro-N,N-dimethyl-5' non-polymer        28  13 .
EPS      EPS '"5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3' non-polymer        30  21 .
EPT      EPT 'HEPTANYL-P-PHENOL                   ' non-polymer        34  14 .
EPU      EPU 'URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOS' non-polymer        70  44 .
EPX      EPX 'EPOXOMICIN                          ' non-polymer       103  46 .
EPY      EPY '1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NI' non-polymer        58  34 .
EQH      EQH '"cis-4-[3-amino-6-(3-cyclopropylthio' non-polymer        44  24 .
EQI      EQI 'EQUILIN                             ' non-polymer        40  20 .
EQN      EQN '"4-{[(5,5,8,8-tetramethyl-5,6,7,8-te' non-polymer        50  26 .
EQO      EQO '"4-{(E)-2-[5,5-dimethyl-8-(phenyleth' non-polymer        54  31 .
EQP      EQP '"(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-' non-polymer        41  21 .
EQU      EQU 'EQUILENIN                           ' non-polymer        38  20 .
ER3      ER3 'ERBIUM (III) ION                    ' non-polymer         1   1 .
ERD      ERD '(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIH' non-polymer        33  21 .
ERE      ERE '(1R,3S,4R,5S)-3-amino-2,3,6-trideoxy' pyranose           26  11 .
ERG      ERG 'ERGOSTEROL                          ' non-polymer        73  29 .
ERI      ERI '4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BE' non-polymer        30  14 .
ERN      ERN '.                                   ' non-polymer       121  51 .
ERT      ERT '"METHYL (4R)-2-ETHYL-2,5,12-TRIHYDRO' non-polymer        80  43 .
ERU      ERU '(13Z)-docos-13-enamide              ' non-polymer        67  24 .
ERY      ERY 'ERYTHROMYCIN A                      ' non-polymer       118  51 .
ES0      ES0 '2-amino-1H-benzimidazol-7-ol        ' non-polymer        18  11 .
ES1      ES1 'quinolin-4-ol                       ' non-polymer        18  11 .
ES2      ES2 '6-chloro-1,3-dihydro-2H-indol-2-one ' non-polymer        17  11 .
ES3      ES3 '4-bromo-1H-imidazole                ' non-polymer         9   6 .
ES4      ES4 '6-chloro-9H-purine                  ' non-polymer        13  10 .
ES5      ES5 'quinolin-6-amine                    ' non-polymer        19  11 .
ES6      ES6 '2-oxo-1,2-dihydropyridine-3-carboxyl' non-polymer        14  10 .
ES7      ES7 '1-methyl-1H-benzimidazol-2-amine    ' non-polymer        20  11 .
ES9      ES9 '5-chloro-1H-benzimidazole           ' non-polymer        15  10 .
ESA      ESA 'ETHANESULFONIC ACID                 ' non-polymer        12   6 .
ESB      ESB '3-[(3E)-3-(ETHYLIMINO)-4-HYDROXY-6-O' peptide            30  17 .
ESC      ESC '2-AMINO-4-ETHYL SULFANYL BUTYRIC ACI' peptide            22  10 .
ESD      ESD '(2-AMINO-ETHYLSULFANYL)-ACETIC ACID ' non-polymer        16   8 .
ESG      ESG 'L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5' non-polymer        51  29 .
ESH      ESH '"4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLO' non-polymer        63  32 .
ESI      ESI '4-IODOBENZO[B]THIOPHENE-2-CARBOXAMID' non-polymer        21  13 .
ESL      ESL 'ESTRIOL                             ' non-polymer        45  21 .
ESM      ESM '1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRI' non-polymer        48  22 .
ESO      ESO 'O3-PHOSPHONOESTRONE                 ' non-polymer        45  24 .
ESP      ESP 'THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDIN' non-polymer        20  12 .
ESR      ESR 'ESTRADIOL                           ' non-polymer        46  20 .
EST      EST 'ESTRADIOL                           ' non-polymer        44  20 .
ESX      ESX 'BENZO[B]THIOPHENE-2-CARBOXAMIDINE   ' non-polymer        21  12 .
ESY      ESY '"benzyl N-[(benzyloxy)carbonyl]-L-al' non-polymer        86  43 .
ET0      ET0 '3-(5-methoxy-1H-indol-3-yl)propanoic' non-polymer        28  16 .
ET1      ET1 '3-{5-methoxy-1-[(4-methoxyphenyl)sul' non-polymer        45  27 .
ET2      ET2 '6-fluoro-1H-benzimidazol-2-amine    ' non-polymer        17  11 .
ETA      ETA 'ETHANOLAMINE                        ' non-polymer        11   4 .
ETB      ETB 'Ethyl Coenzyme A                    ' non-polymer        76  46 .
ETC      ETC '(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TET' non-polymer        48  24 .
ET       ET  'ETHIDIUM                            ' non-polymer        44  24 .
ETE      ETE '2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-E' non-polymer        34  14 .
ETF      ETF 'TRIFLUOROETHANOL                    ' non-polymer         9   6 .
ETG      ETG '(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethyl' non-polymer        79  38 .
ETI      ETI 'IODOETHANE                          ' non-polymer         8   3 .
ETM      ETM '2-(TRIMETHYLAMMONIUM)ETHYL THIOL    ' non-polymer        21   7 .
ETN      ETN 'METHYLETHYLAMINE                    ' non-polymer        13   4 .
ETP      ETP '3-(4-BENZENESULFONYL-THIOPHENE-2-SUL' non-polymer        41  27 .
ETQ      ETQ '3-chloro-5-ethyl-N-{[(2S)-1-ethylpyr' non-polymer        48  23 .
ETR      ETR 'N-ETHYL RETINAMIDE                  ' non-polymer        57  24 .
ETS      ETS '(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDR' non-polymer        35  19 .
ETV      ETV '4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDRO' non-polymer        26  16 .
ETX      ETX '2-ETHOXYETHANOL                     ' non-polymer        16   6 .
ETY      ETY '4-ethylphenol                       ' non-polymer        19   9 .
EU3      EU3 'EUROPIUM (III) ION                  ' non-polymer         1   1 .
EU       EU  'EUROPIUM ION                        ' non-polymer         1   1 .
EUD      EUD 'EUDESMANE CATION                    ' non-polymer        41  15 .
EUG      EUG '2-METHOXY-4-VINYL-PHENOL            ' non-polymer        21  11 .
EV0      EV0 '2-amino-6-propylpyrimidin-4(3H)-one ' non-polymer        22  11 .
EV1      EV1 '1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOX' non-polymer        46  25 .
EV2      EV2 '3-pyrrolidin-1-ylquinoxalin-2-amine ' non-polymer        30  16 .
EV3      EV3 '3-(2-amino-5-chloro-1H-benzimidazol-' non-polymer        27  15 .
EV4      EV4 '4-(2-amino-5-chloro-1H-benzimidazol-' non-polymer        49  24 .
EV5      EV5 '(3S)-3-(2-amino-5-chloro-1H-benzimid' non-polymer        52  25 .
EV6      EV6 '(3R)-3-(2-amino-5-chloro-1H-benzimid' non-polymer        57  28 .
EVA      EVA '(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxo' non-polymer        21  13 .
EVS      EVS '16-epi-Vellosimine                  ' non-polymer        42  22 .
EXO      EXO '(1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE' non-polymer        23  11 .
EXT      EXT '"{5-hydroxy-6-methyl-4-[(E)-{[2-(pho' non-polymer        35  23 .
EXY      EXY '6-[(2R)-oxiran-2-yl]-L-norleucine   ' peptide            26  12 .
EY5      EY5 '.                                   ' non-polymer       114  49 .
EYK      EYK '2-tert-butylbenzene-1,4-diol        ' non-polymer        26  12 .
EYS      EYS 'S-SELANYLCYSTEINAL                  ' non-polymer        15   7 .
EZL      EZL '6-ethoxy-1,3-benzothiazole-2-sulfona' non-polymer        26  16 .
EZR      EZR '3-methoxy-4-{3-[4-(4-methylpiperazin' non-polymer        61  34 .
EZT      EZT '(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETH' non-polymer        61  32 .
EZV      EZV '4-{3-[7-(4-methylpiperazin-1-yl)-1H-' non-polymer        57  32 .
F01      F01 '4-amino-1-[(2R,3R,4S,5R)-3,4-dihydro' non-polymer        30  18 .
F09      F09 'NONAN-1-OL                          ' non-polymer        30  10 .
F10      F10 '2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1' non-polymer        37  23 .
F11      F11 'N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-' non-polymer        71  35 .
F12      F12 '2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLI' non-polymer        18  12 .
F13      F13 '3-fluoro-N-[3-(1H-tetrazol-5-yl)phen' non-polymer        31  21 .
F15      F15 'PENTADECANOIC ACID                  ' non-polymer        46  17 .
F16      F16 '5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-' non-polymer        22  15 .
F17      F17 'N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDRO' non-polymer        77  48 .
F18      F18 '4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)' non-polymer        26  16 .
F19      F19 '2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL D' non-polymer        33  21 .
F1G      F1G '"1-METHYL-3-TRIFLUOROMETHYL-1H-THIEN' non-polymer        29  19 .
F1H      F1H 'N-(1-benzylpiperidin-4-yl)-4-sulfany' non-polymer        44  20 .
F1I      F1I 'N-[1-(2,6-dimethoxybenzyl)piperidin-' non-polymer        52  24 .
F1J      F1J '(2S)-4-(4-fluorobenzyl)-N-(2-sulfany' non-polymer        40  20 .
F1K      F1K '(2S)-4-(4-fluorobenzyl)-N-(3-sulfany' non-polymer        43  21 .
F1L      F1L 'N-[1-(5-bromo-2,3-dimethoxybenzyl)pi' non-polymer        52  25 .
F1M      F1M 'N-{1-[5-chloro-3-methoxy-2-(1-methyl' non-polymer        67  35 .
F1N      F1N 'N-{1-[5-chloro-3-methoxy-2-(1-methyl' non-polymer        70  36 .
F1P      F1P '1-O-PHOSPHONO-BETA-D-FRUCTOPYRANOSE ' non-polymer        27  16 .
F20      F20 'N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1' non-polymer        67  39 .
F21      F21 '(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOL' non-polymer        40  21 .
F23      F23 'TRICOSANOIC ACID                    ' non-polymer        70  25 .
F24      F24 '(3R,5S,7R,12S,13R)-13-FORMYL-12,14-D' non-polymer        56  23 .
F25      F25 '4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMET' non-polymer        59  32 .
F27      F27 '6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-' non-polymer        47  30 .
F29      F29 '1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PY' non-polymer        45  28 .
F2A      F2A '"2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hyd' non-polymer        46  30 .
F2B      F2B 'N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-' non-polymer        34  22 .
F2C      F2C '6-[2-(7-phenylheptanoyl)-1,3-oxazol-' non-polymer        49  28 .
F2F      F2F '3,4-difluoro-L-phenylalanine        ' peptide            22  14 .
F2G      F2G '3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-ME' non-polymer        76  31 .
F2I      F2I '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        79  41 .
F2N      F2N '.                                   ' non-polymer       104  63 .
F2P      F2P '1,6-DI-O-PHOSPHONO-D-ALLITOL        ' non-polymer        32  20 .
F32      F32 '"(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-' non-polymer        56  35 .
F34      F34 'N-[(3S,4R,5R,6R)-4,5,6-trihydroxyaze' non-polymer        30  14 .
F3B      F3B '1,3,5-trichloro-2,4,6-trifluorobenze' non-polymer        12  12 .
F3F      F3F '"S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRI' non-polymer        33  25 .
F3G      F3G '"3-[2-(2-BENZYLOXYCARBONYLAMINO-3-ME' non-polymer        59  31 .
F3P      F3P '(1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIME' non-polymer        40  20 .
F3S      F3S 'FE3-S4 CLUSTER                      ' non-polymer         7   7 .
F42      F42 'COENZYME F420                       ' non-polymer        85  53 .
F43      F43 'FACTOR 430                          ' non-polymer       106  62 .
F4C      F4C '2-(4-fluorophenyl)-3-oxo-6-pyridin-4' non-polymer        50  34 .
F4P      F4P '1-[bis(4-fluorophenyl)methyl]-4-(1H-' non-polymer        47  28 .
F50      F50 'ETHANEPEROXOIC ACID                 ' non-polymer         9   5 .
F55      F55 'N-{[(4-chlorophenyl)carbonyl]carbamo' non-polymer        41  24 .
F59      F59 'N-[(biphenyl-4-ylcarbonyl)carbamoyl]' non-polymer        51  29 .
F5B      F5B '1,2,3,4,5-pentafluorobenzene        ' non-polymer        12  11 .
F68      F68 'N-{[(4-methylphenyl)carbonyl]carbamo' non-polymer        44  24 .
F69      F69 '(2-thiophen-2-ylphenyl)methanol     ' non-polymer        23  13 .
F6B      F6B 'N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-' non-polymer        34  22 .
F6F      F6F '2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMIN' non-polymer        30  21 .
F6P      F6P 'FRUCTOSE-6-PHOSPHATE                ' non-polymer        27  16 .
F6R      F6R 'FRUCTOSE -6-PHOSPHATE               ' non-polymer        27  16 .
F77      F77 '3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL' non-polymer        38  23 .
F79      F79 '2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLU' non-polymer        44  26 .
F83      F83 '(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYME' non-polymer        40  23 .
F89      F89 '"S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OX' non-polymer        59  37 .
F8A      F8A '"9-[2-(trifluoromethyl)benzyl]-2,3,4' non-polymer        44  27 .
F9F      F9F '2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULF' non-polymer        31  22 .
FA1      FA1 '2,3 -ANHYDRO-QUINIC ACID            ' non-polymer        21  12 .
FA2      FA2 '5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYT' non-polymer        31  21 .
FA3      FA3 '2-ANHYDRO-3-FLUORO-QUINIC ACID      ' non-polymer        21  13 .
FA4      FA4 'SM-25453                            ' non-polymer        75  33 .
FA5      FA5 'ADENOSINE-5'-[PHENYLALANINYL-PHOSPHA' non-polymer        56  34 .
FA6      FA6 '3-HYDROXYIMINO QUINIC ACID          ' non-polymer        24  14 .
FA7      FA7 '(2Z,4E)-7-methylocta-2,4-dienoic aci' non-polymer        24  11 .
FA8      FA8 '.                                   ' non-polymer        86  53 .
FA9      FA9 '.                                   ' non-polymer       104  63 .
FAA      FAA 'N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE D' non-polymer        99  61 .
FAB      FAB 'FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBU' non-polymer        96  58 .
FAC      FAC '1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL   ' non-polymer        13  11 .
FAD      FAD 'FLAVIN-ADENINE DINUCLEOTIDE         ' non-polymer        84  53 .
FAE      FAE 'FLAVIN-N7 PROTONATED-ADENINE DINUCLE' non-polymer        85  53 .
FAF      FAF '2-ACETYLAMINO-4-METHYL-PENTANOIC ACI' non-polymer        46  22 .
FAG      FAG '.                                   ' non-polymer        74  48 .
FAH      FAH 'fluoroacetic acid                   ' non-polymer         7   5 .
FAI      FAI '"5-(formylamino)-1-(5-O-phosphono-be' non-polymer        37  24 .
FAL      FAL '(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)A' non-polymer        53  30 .
FAM      FAM 'ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHI' non-polymer        86  52 .
FAN      FAN 'FORMANILIDE                         ' non-polymer        16   9 .
FAO      FAO '.                                   ' non-polymer        88  53 .
FAP      FAP '(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)A' non-polymer        53  30 .
FAR      FAR 'FARNESYL                            ' non-polymer        41  15 .
FAS      FAS 'ARABINO-FLAVIN-ADENINE DINUCLEOTIDE ' non-polymer        84  53 .
FB1      FB1 '2-CHLOROBENZENESULFONAMIDE          ' non-polymer        17  11 .
FB2      FB2 'benzenesulfonamide                  ' non-polymer        17  10 .
FB4      FB4 '2-(2-amino-4-chlorophenoxy)-5-chloro' non-polymer        26  17 .
FBA      FBA '4-FLUOROBENZYLAMINE                 ' non-polymer        18   9 .
FBC      FBC '.                                   ' non-polymer        24  17 .
FB       FB  '5A-FORMYLBICYCLOMYCIN               ' non-polymer        41  23 .
FBD      FBD '"N-({(1R)-1-carboxy-2-[(4-fluorobenz' non-polymer        43  27 .
FBE      FBE '1-FORMYL-4-AMINO-2-BUTENE           ' non-polymer        16   7 .
FBI      FBI '"7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-' non-polymer        62  33 .
FBL      FBL '(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)A' non-polymer        53  30 .
FBN      FBN '"5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-' non-polymer        58  38 .
FBP      FBP 'BETA-FRUCTOSE-1,6-DIPHOSPHATE       ' non-polymer        30  20 .
FBQ      FBQ '1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQU' non-polymer        47  29 .
FBR      FBR '(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2' non-polymer        39  20 .
FBS      FBS '4-FLOUROBENZENESULFONAMIDE          ' non-polymer        17  11 .
FBT      FBT '2,6-DIFLUOROBENZENESULFONAMIDE      ' non-polymer        17  12 .
FBU      FBU '3,5-DIFLUOROBENZENESULFONAMIDE      ' non-polymer        17  12 .
FBV      FBV '2-fluorobenzenesulfonamide          ' non-polymer        17  11 .
FBW      FBW '3-fluorobenzenesulfonamide          ' non-polymer        17  11 .
FC0      FC0 'N-CARBOXY-L-PHENYLALANINE           ' non-polymer        25  15 .
FC1      FC1 'THIOCOUMARIN                        ' non-polymer        35  18 .
FC2      FC2 '5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID' non-polymer        21  16 .
FC3      FC3 '5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FURO' non-polymer        24  18 .
FC6      FC6 'HEXACYANOFERRATE(3-)                ' non-polymer        13  13 .
FCA      FCA 'ALPHA-D-FUCOSE                      ' pyranose           23  11 .
FCB      FCB 'BETA-D-FUCOSE                       ' pyranose           23  11 .
FCD      FCD '5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC' non-polymer        21  15 .
FCF      FCF '"3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tet' non-polymer        38  25 .
FCG      FCG '"(N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,' non-polymer        98  57 .
FCI      FCI 'FERRICROCIN-IRON                    ' non-polymer        95  51 .
F        F   'FLUORIDE ION                        ' non-polymer         1   1 .
FCK      FCK '"3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-t' non-polymer        42  25 .
FCL      FCL '3-CHLORO-L-PHENYLALANINE            ' peptide            22  13 .
FCN      FCN 'FOSFOMYCIN                          ' non-polymer        15   8 .
FCO      FCO 'CARBONMONOXIDE-(DICYANO) IRON       ' non-polymer         7   7 .
FCP      FCP '(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)A' non-polymer        53  30 .
FCR      FCR 'ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL' non-polymer        16  11 .
FCT      FCT 'DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE    ' non-polymer        65  34 .
FCX      FCX 'ALPHA-FLUORO-CARBOXYMETHYLDETHIA COE' non-polymer        84  52 .
FD1      FD1 'N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AM' non-polymer        63  36 .
FD2      FD2 '"N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AM' non-polymer        67  37 .
FD3      FD3 'N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDI' non-polymer        60  33 .
FD4      FD4 'N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMI' non-polymer        65  36 .
FDA      FDA 'DIHYDROFLAVINE-ADENINE DINUCLEOTIDE ' non-polymer        86  53 .
FDC      FDC 'IRON(III) DICITRATE                 ' non-polymer        56  28 .
FDD      FDD 'FE(III) 2,4-DIMETHYL DEUTEROPORPHYRI' non-polymer        71  41 .
FDE      FDE 'FE(III) DEUTEROPORPHYRIN IX         ' non-polymer        65  39 .
FDF      FDF '"(2E,6E)-12-fluoro-11-(fluoromethyl)' non-polymer        49  26 .
FDG      FDG '2-amino-9-(2-deoxy-2-fluoro-5-O-phos' DNA                36  25 .
FDI      FDI '4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTAN' non-polymer        40  21 .
FDM      FDM '.                                   ' non-polymer        33  21 .
FDN      FDN '(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL' non-polymer        35  23 .
FDP      FDP 'FRUCTOSE-2,6-DIPHOSPHATE            ' non-polymer        30  20 .
FDQ      FDQ 'D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPH' non-polymer        30  18 .
FDS      FDS 'FLUORESCIN                          ' non-polymer        38  25 .
FDT      FDT '"(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-' non-polymer        27  18 .
FE1      FE1 '"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-' non-polymer        59  33 .
FE2      FE2 'FE (II) ION                         ' non-polymer         1   1 .
FE3      FE3 '4-(2-aminoethyl)-3-chlorobenzoic aci' non-polymer        22  13 .
FEA      FEA 'MONOAZIDO-MU-OXO-DIIRON             ' non-polymer         6   6 .
FEB      FEB 'N~2~-[(3R)-3-hydroxydodecanoyl]-L-as' non-polymer        90  39 .
FEC      FEC '1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7' non-polymer        81  49 .
FE       FE  'FE (III) ION                        ' non-polymer         1   1 .
FEE      FEE 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       126  49 .
FEF      FEF '.                                   ' non-polymer        46  27 .
FEG      FEG '"5'-O-[(S)-{[2-(carboxymethyl)-6-hyd' non-polymer        58  37 .
FEL      FEL 'HYDRATED FE                         ' non-polymer        10   4 .
FEM      FEM 'N-(2-FERROCENYLETHYL)MALEIMIDE      ' non-polymer        37  20 .
FEN      FEN 'N-(4-HYDROXYPHENYL)ALL-TRANS RETINAM' non-polymer        62  29 .
FEO      FEO 'MU-OXO-DIIRON                       ' non-polymer         3   3 .
FEP      FEP '"[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHY' non-polymer        50  30 .
FER      FER '3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROP' non-polymer        23  14 .
FES      FES 'FE2/S2 (INORGANIC) CLUSTER          ' non-polymer         4   4 .
FEX      FEX '.                                   ' non-polymer        75  37 .
FF3      FF3 '1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,' non-polymer        17  13 .
FFA      FFA '(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-' non-polymer        49  21 .
FFB      FFB 'N-(2,3,4,5,6-PENTAFLOURO-BENZYL)-4-S' non-polymer        34  25 .
FFC      FFC '2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE   ' non-polymer        44  23 .
FFD      FFD '(1R)-1,4-anhydro-2-deoxy-1-(3-fluoro' non-polymer        31  19 .
FFF      FFF 'TRIFLUOROFURNESYL DIPHOSPHATE       ' non-polymer        49  27 .
FFG      FFG '"(R)-6-(2'-((3-hydroxypyrrolidin-1-y' non-polymer        73  45 .
FFM      FFM 'S-[(1R,2R)-2-hydroxy-1-methyl-2-phos' peptide            28  15 .
FFO      FFO '5-FORMYL-6-HYDROFOLIC ACID          ' non-polymer        53  34 .
FFP      FFP '2,6-DIFLUOROPHENOL                  ' non-polymer        13   9 .
FG1      FG1 '"N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)' non-polymer        52  30 .
FG2      FG2 '5-methoxy-N-[(5-methylpyridin-2-yl)s' non-polymer        39  24 .
FG3      FG3 '"(5-methoxy-2-{[(5-methylpyridin-2-y' non-polymer        44  28 .
FG4      FG4 '{2-[(1-benzofuran-2-ylmethoxy)carbon' non-polymer        44  28 .
FG5      FG5 '"(2-{[(1-benzofuran-2-ylsulfonyl)ami' non-polymer        46  29 .
FG6      FG6 '{2-[(1-benzofuran-2-ylsulfonyl)carba' non-polymer        45  30 .
FGA      FGA '5-oxo-D-norvaline                   ' non-polymer        17   9 .
FGK      FGK 'N-acetyl-L-phenylalanyl-L-alpha-glut' non-polymer        77  39 .
FGL      FGL '2-AMINOPROPANEDIOIC ACID            ' peptide            11   8 .
FGP      FGP '2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PRO' non-polymer        17  12 .
FGR      FGR 'N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BET' non-polymer        33  20 .
FGS      FGS '5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHON' non-polymer        35  19 .
FH7      FH7 'N^5^-formyl-N^5^-hydroxy-D-ornithine' non-polymer        23  12 .
FHB      FHB '3-FLUORO-4-HYDROXYBENZOIC ACID      ' non-polymer        15  11 .
FHC      FHC '2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROP' non-polymer        19  13 .
FHI      FHI '.                                   ' non-polymer        25  19 .
FHL      FHL '(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL' peptide            36  18 .
FHM      FHM 'S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-ME' non-polymer        42  28 .
FHN      FHN '(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-B' non-polymer        29  13 .
FHO      FHO 'N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE' peptide            23  12 .
FHP      FHP '1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6' non-polymer        47  20 .
FHU      FHU '(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURI' RNA                35  23 .
FI4      FI4 '(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-d' non-polymer        46  30 .
FIC      FIC '5-fluoroindole-2-carboxylic acid    ' non-polymer        18  13 .
FID      FID '(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO' non-polymer        30  20 .
FIH      FIH '"5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHE' non-polymer        39  26 .
FII      FII '[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRI' non-polymer        54  24 .
FIL      FIL '(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXY' non-polymer        41  21 .
FIN      FIN '.                                   ' non-polymer        48  26 .
FIP      FIP '5-FLUOROINDOLE PROPANOL PHOSPHATE   ' non-polymer        29  18 .
FIR      FIR '(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO' non-polymer        30  20 .
FIS      FIS '(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO' non-polymer        30  20 .
FIT      FIT '(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert' non-polymer        63  27 .
FIX      FIX 'D-fructuronic acid                  ' non-polymer        20  13 .
FJZ      FJZ 'N-cyclohexyl-4-(1H-imidazol-5-yl)pip' non-polymer        44  20 .
FK5      FK5 '8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN  ' non-polymer       126  57 .
FKA      FKA 'BENZYL-CARBAMIC ACID [8-DEETHYL-ASCO' non-polymer       143  67 .
FKD      FKD '2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-ARABI' non-polymer        32  18 .
FKI      FKI '5,5-DI-FLUORO-2-KETO-3-AMINOPENTANOI' non-polymer        17  11 .
FKL      FKL 'N-cyclopropyl-4-methyl-3-[8-methyl-7' non-polymer        59  32 .
FKN      FKN '3-[2-chloro-5-(methylsulfonyl)phenyl' non-polymer        40  29 .
FKO      FKO '3-(2-chlorophenyl)-6-(2-fluorophenox' non-polymer        36  24 .
FKP      FKP 'METHYLPIPERAZINOFORSKOLIN           ' non-polymer        89  39 .
FL1      FL1 '"5-{[({2-[4-(AMINOSULFONYL)PHENYL]ET' non-polymer        63  41 .
FL2      FL2 'FLURBIPROFEN METHYL ESTER           ' non-polymer        34  19 .
FL4      FL4 '6-(2,4-difluorophenoxy)-3-(2-methylp' non-polymer        37  25 .
FL8      FL8 '6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROM' non-polymer        32  22 .
FL9      FL9 '.                                   ' non-polymer        31  23 .
FLA      FLA 'TRIFLUOROALANINE                    ' peptide            12   9 .
FLC      FLC 'CITRATE ANION                       ' non-polymer        18  13 .
FLD      FLD 'BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCAR' non-polymer        98  50 .
FLE      FLE 'FUROYL-LEUCINE                      ' non-polymer        30  16 .
FLF      FLF '2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]' non-polymer        29  20 .
FLG      FLG 'FLUORESCEINYLTHIOUREIDO             ' non-polymer        48  31 .
FLI      FLI '(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E' non-polymer       102  44 .
FLL      FLL 'OCTAHEDRAL RU-PYRIDOCARBAZOLE       ' non-polymer        60  42 .
FLM      FLM '3-FLUORO-2-METHYL-ANILINE           ' non-polymer        17   9 .
FLN      FLN '2-PHENYL-4H-CHROMEN-4-ONE           ' non-polymer        27  17 .
FLP      FLP 'FLURBIPROFEN                        ' non-polymer        30  18 .
FLQ      FLQ '"N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHY' non-polymer        66  38 .
FLS      FLS '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        47  29 .
FLT      FLT 'FLUOROMALONYL TYROSINE              ' peptide            30  21 .
FLU      FLU '2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-' non-polymer        36  25 .
FLV      FLV 'FLAVIOLIN                           ' non-polymer        21  15 .
FLW      FLW '6-(2,4-difluorophenoxy)-2-{[3-hydrox' non-polymer        49  29 .
FLX      FLX '"N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL' non-polymer        57  31 .
FLY      FLY '6-(2,4-difluorophenoxy)-8-methyl-2-[' non-polymer        41  25 .
FLZ      FLZ '8-methyl-6-phenoxy-2-(tetrahydro-2H-' non-polymer        46  26 .
FM1      FM1 '2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-' non-polymer        35  20 .
FM2      FM2 '2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-' non-polymer        36  20 .
FMA      FMA '6-(3-TETRADECANOIC ACID) FLAVINE MON' non-polymer        91  47 .
FMB      FMB 'FORMYCIN B                          ' non-polymer        31  19 .
FMC      FMC '(1S)-1-(7-amino-1H-pyrazolo[4,3-d]py' non-polymer        32  19 .
FMD      FMD '4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-' non-polymer        48  28 .
FME      FME 'N-FORMYLMETHIONINE                  ' peptide            21  11 .
FMF      FMF '2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORI' non-polymer        22  12 .
FMG      FMG '"2-amino-9-(2-deoxy-2-fluoro-5-O-pho' DNA                39  25 .
FMI      FMI 'FE-(4-MESOPORPHYRINONE)-R-ISOMER    ' non-polymer        78  44 .
FMJ      FMJ '4-(5-methyl-3-phenylisoxazol-4-yl)py' non-polymer        31  19 .
FMK      FMK '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        46  30 .
FML      FML '6-(2,4-difluorophenoxy)-N-[(1S)-1-me' non-polymer        41  26 .
FMM      FMM 'N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]P' non-polymer        66  40 .
FMN      FMN 'FLAVIN MONONUCLEOTIDE               ' non-polymer        50  31 .
FMP      FMP 'FORMYCIN-5'-MONOPHOSPHATE           ' non-polymer        35  23 .
FMR      FMR 'FUMARATE                            ' non-polymer        10   8 .
FMS      FMS 'TRIFLUOROMETHANE SULFONAMIDE        ' non-polymer        10   8 .
FMT      FMT 'FORMIC ACID                         ' non-polymer         5   3 .
FMU      FMU '5-FLUORO-5-METHYLURIDINE-5'-MONOPHOS' non-polymer        37  23 .
FMX      FMX 'FAMOXADONE                          ' non-polymer        46  28 .
FMY      FMY 'N-[(2Z)-4-(3-fluoro-5-morpholin-4-yl' non-polymer        64  37 .
FMZ      FMZ '"(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-' non-polymer        54  30 .
FNE      FNE '(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARB' non-polymer         9   9 .
FNG      FNG '5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-' non-polymer        40  24 .
FNH      FNH '"(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLO' non-polymer       108  54 .
FNM      FNM '(5S)-5-methyl-2-(methylsulfanyl)-5-p' non-polymer        39  22 .
FNP      FNP '"{[7-(DIFLUORO-PHOSPHONO-METHYL)-NAP' non-polymer        34  24 .
FNR      FNR '1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,' non-polymer        52  31 .
FNS      FNS 'N-SULFO-FLAVIN MONONUCLEOTIDE       ' non-polymer        54  35 .
FNZ      FNZ '4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDR' non-polymer        39  24 .
FO1      FO1 '1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-d' non-polymer        43  26 .
FOA      FOA '2-FUROIC ACID                       ' non-polymer        11   8 .
FOC      FOC 'FUCITOL                             ' non-polymer        25  11 .
FOE      FOE '2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(' peptide            39  21 .
FOG      FOG '(4S,5S)-5-amino-4-hydroxy-6-phenylhe' non-polymer        32  16 .
FOH      FOH 'FARNESOL                            ' non-polymer        42  16 .
FOK      FOK 'FORSKOLIN                           ' non-polymer        63  29 .
FOL      FOL 'FOLIC ACID                          ' non-polymer        49  32 .
FOM      FOM '3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPH' non-polymer        21  11 .
FON      FON 'FOLINIC ACID                        ' non-polymer        55  34 .
FOO      FOO '"(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOS' non-polymer        31  21 .
FOP      FOP '2-HYDROXY-PROPYL-AMMONIUM           ' non-polymer        15   5 .
FOR      FOR 'FORMYL GROUP                        ' non-polymer         4   2 .
FOS      FOS '[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]' non-polymer        28  16 .
FOT      FOT '5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDR' non-polymer        14  12 .
FOU      FOU '(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYR' non-polymer        15  10 .
FOX      FOX '.                                   ' non-polymer        40  24 .
FP0      FP0 '(3alpha)-15-hydroxy-12,13-epoxytrich' non-polymer        46  22 .
FP1      FP1 'N-hydroxy-1-(1-methylpyridin-2(1H)-y' non-polymer        20  10 .
FP2      FP2 '2-fluorophenol                      ' non-polymer        13   8 .
FP9      FP9 '(4R)-4-fluoro-L-proline             ' P-peptide          16   9 .
FPA      FPA 'bromo(difluoro)acetic acid          ' non-polymer         7   7 .
FPB      FPB 'N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUORO' non-polymer        54  28 .
FPC      FPC 'D-FRUCTOSE-6-PHOSPHATE (OPEN FORM)  ' non-polymer        29  16 .
FPD      FPD '5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROB' non-polymer        54  30 .
FPE      FPE '3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC A' non-polymer        14  11 .
FPF      FPF '"(2Z,6E)-2-fluoro-3,7,11-trimethyldo' non-polymer        49  25 .
FPG      FPG '(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIME' non-polymer        40  20 .
FPH      FPH '3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H' non-polymer        35  23 .
FPI      FPI 'N-FORMYLPIPERIDINE                  ' non-polymer        19   8 .
FPM      FPM '"(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-' non-polymer        33  19 .
FPN      FPN '4-FLUOROPHENOL                      ' non-polymer        13   8 .
FPO      FPO 'FLUORO-PHOSPHITE ION                ' non-polymer         5   5 .
FPP      FPP 'FARNESYL DIPHOSPHATE                ' non-polymer        49  24 .
FPR      FPR '(3S)-3-amino-4-oxo-7-phenylheptanoic' non-polymer        33  17 .
FPS      FPS 'S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,' non-polymer        50  24 .
FPT      FPT 'N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETH' non-polymer        40  24 .
FPY      FPY '(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROP' non-polymer        14   9 .
FQP      FQP '4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYM' non-polymer        26  21 .
FQX      FQX '[1,2,5]oxadiazolo[3,4-g]quinoxaline-' non-polymer        20  16 .
FR0      FR0 '"N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMI' non-polymer        40  25 .
FR1      FR1 '"2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-T' non-polymer        72  40 .
FR2      FR2 '1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPR' non-polymer        36  19 .
FR3      FR3 '1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHT' non-polymer        42  23 .
FR4      FR4 '1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-P' non-polymer        60  33 .
FR5      FR5 '1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(' non-polymer        66  37 .
FR6      FR6 '1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHY' non-polymer        45  24 .
FR7      FR7 '1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL' non-polymer        39  22 .
FR8      FR8 '1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-P' non-polymer        66  35 .
FR9      FR9 '1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL' non-polymer        59  33 .
FRA      FRA '"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO' non-polymer        53  31 .
FRB      FRB '2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLOR' non-polymer        69  36 .
FRC      FRC '1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHY' non-polymer        46  25 .
FRD      FRD '1-PHENYL-2-AMINOPROPANE             ' non-polymer        23  10 .
FRE      FRE 'FERULOYL COENZYME A                 ' non-polymer       102  62 .
FRF      FRF 'PHE-REDUCED-PHE                     ' non-polymer        43  22 .
FRG      FRG '"2-[3-METHYL-4-(N-METHYL-GUANIDINO)-' non-polymer        63  33 .
FRH      FRH '"5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANI' non-polymer        81  45 .
FRI      FRI '"2-GUANIDINO-4-METHYL-PENTANOIC ACID' non-polymer        89  47 .
FRJ      FRJ '"3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2' non-polymer        60  41 .
FRK      FRK 'N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIA' non-polymer        49  27 .
FRL      FRL '1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-' non-polymer        51  30 .
FRM      FRM '2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO' non-polymer        52  28 .
FRN      FRN '.                                   ' non-polymer       170  91 .
FRO      FRO '(5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OX' non-polymer        33  19 .
FRP      FRP 'N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPH' non-polymer        82  41 .
FRQ      FRQ '5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROP' non-polymer        53  29 .
FRR      FRR '(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-' non-polymer        48  26 .
FRS      FRS '1-[5-methyl-2-(trifluoromethyl)furan' non-polymer        51  34 .
FRT      FRT 'N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1' non-polymer        56  30 .
FRU      FRU 'FRUCTOSE                            ' non-polymer        24  12 .
FRV      FRV '4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMI' non-polymer        47  27 .
FRW      FRW '"4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[' non-polymer        65  36 .
FRX      FRX '(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYL' non-polymer        49  30 .
FRY      FRY '(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-' non-polymer        42  27 .
FRZ      FRZ '5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-' non-polymer        38  25 .
FS1      FS1 'IRON/SULFUR CLUSTER                 ' non-polymer         2   2 .
FS2      FS2 'FE-S-O HYBRID CLUSTER               ' non-polymer        10   9 .
FSA      FSA '1-S-(carboxymethyl)-1-thio-beta-D-fr' non-polymer        29  16 .
FSB      FSB 'N-(2-FLOURO-BENZYL)-4-SULFAMOYL-BENZ' non-polymer        34  21 .
FSC      FSC 'FUSICOCCIN                          ' non-polymer       104  48 .
FSE      FSE '3,7,3',4'-TETRAHYDROXYFLAVONE       ' non-polymer        31  21 .
FSF      FSF '4FE-2S-O HYBRID CLUSTER             ' non-polymer         8   7 .
FSG      FSG '[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OX' non-polymer        15  10 .
FSH      FSH '.                                   ' non-polymer        87  54 .
FSI      FSI '5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-DIDE' non-polymer        38  21 .
FSM      FSM 'FORSMANN ANTIGEN                    ' non-polymer        57  29 .
FSN      FSN '"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUORO' non-polymer        54  30 .
FSO      FSO 'IRON/SULFUR/OXYGEN HYBRID CLUSTER   ' non-polymer        12  10 .
FSP      FSP '"[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHY' non-polymer        61  32 .
FSS      FSS '3-(2,6-dichlorophenyl)-7-({4-[(dieth' non-polymer        60  34 .
FSX      FSX '"BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS' non-polymer        12  10 .
FT0      FT0 '3-hydroxy-4-phenoxybenzaldehyde     ' non-polymer        26  16 .
FT1      FT1 '4-(2,4-dichlorophenoxy)-3-hydroxyben' non-polymer        26  18 .
FT2      FT2 '5-(chloromethyl)-2-(2,4-dichlorophen' non-polymer        27  18 .
FT3      FT3 '2-(2,4-dichlorophenoxy)-5-(hydroxyme' non-polymer        28  18 .
FT6      FT6 '6-FLUORO-L-TRYPTOPHAN               ' peptide            26  16 .
FTA      FTA '3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-' non-polymer        36  23 .
FTB      FTB 'N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6' non-polymer        60  34 .
FTC      FTC 'N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETH' non-polymer        39  23 .
FTH      FTH '1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METH' non-polymer        66  38 .
FTI      FTI '1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL' non-polymer        58  35 .
FTL      FTL '4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMI' non-polymer        58  35 .
FTP      FTP '3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMID' non-polymer        38  25 .
FTR      FTR 'FLUOROTRYPTOPHANE                   ' peptide            26  16 .
FTS      FTS '(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFL' non-polymer        38  22 .
FTT      FTT '3-HYDROXY-TETRADECANOIC ACID        ' non-polymer        44  17 .
FTY      FTY 'DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROS' peptide            30  19 .
FU2      FU2 'FURFURAL                            ' non-polymer        11   7 .
FU4      FU4 '2,6-ANHYDRO-1-DEOXY-D-GALACTITOL    ' pyranose           22  10 .
FUA      FUA 'FUSIDIC ACID                        ' non-polymer        84  37 .
FUB      FUB 'beta-L-arabinofuranose              ' furanose           20  10 .
FUC      FUC 'ALPHA-L-FUCOSE                      ' pyranose           23  11 .
FUD      FUD 'D-fructose                          ' non-polymer        24  12 .
FUF      FUF '2-DEOXY-2-FLUORO-BETA-L-FUCOPYRANOSE' non-polymer        22  11 .
FUG      FUG 'FUMAGILLIN                          ' non-polymer        68  33 .
FUL      FUL 'BETA-L-FUCOSE                       ' pyranose           23  11 .
FUM      FUM 'FUMARIC ACID                        ' non-polymer        10   8 .
FUN      FUN '5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FUR' non-polymer        31  21 .
FUP      FUP '2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'' non-polymer        34  24 .
FUR      FUR 'ACENAPHTHENEQUINONE                 ' non-polymer        21  16 .
FUX      FUX '5-HYDROXYMETHYL-FURFURAL            ' non-polymer        15   9 .
FUY      FUY 'BETA-L-FUCOSYL-AZIDE                ' non-polymer        25  13 .
FVF      FVF '"O-((((N-PHENYL-METHOXY-CARBONYL)-PH' non-polymer        75  41 .
FWD      FWD '2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DI' non-polymer        22  15 .
FX1      FX1 'beta-D-threo-hexo-2,4-diulo-2,5-fura' non-polymer        22  12 .
FX3      FX3 '5-O-[(2E)-3-(4-hydroxy-3-methoxyphen' non-polymer        41  23 .
FX4      FX4 '"[(5Z)-5-{[3-(carboxymethoxy)-4-meth' non-polymer        36  25 .
FXA      FXA 'N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)S' non-polymer        50  33 .
FXG      FXG 'N-butyl-3-{[6-(9H-purin-6-ylamino)he' non-polymer        60  31 .
FXI      FXI '"1-(butyl{[(4-chlorophenyl)amino]car' non-polymer        67  38 .
FXM      FXM '"2,2-DIMETHYLPROPANOYLOXYMETHYL (6R,' non-polymer        67  38 .
FXN      FXN '5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID' non-polymer        27  16 .
FXP      FXP '2-deoxy-2-fluoro-4-O-beta-D-xylopyra' non-polymer        36  19 .
FXV      FXV 'METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-' non-polymer        60  33 .
FXY      FXY '1-METHYLHEPTYLFORMAMIDE             ' non-polymer        30  11 .
FYA      FYA 'ADENOSINE-5'-[PHENYLALANINOL-PHOSPHA' non-polymer        57  33 .
FYI      FYI '"N-{(2S)-4-(methylamino)-4-oxo-2-[4-' non-polymer        69  37 .
FYN      FYN '.                                   ' non-polymer        82  50 .
FYO      FYO '4-[5-(2,6-dioxo-1,2,3,6-tetrahydropy' non-polymer        30  22 .
FYQ      FYQ '"N~2~-{(2R)-4-(methylamino)-4-oxo-2-' non-polymer        67  38 .
FYX      FYX '4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3' non-polymer        27  19 .
FZN      FZN '.                                   ' peptide            82  48 .
G00      G00 '4-butoxy-3-chlorobenzyl imidothiocar' non-polymer        34  17 .
G01      G01 'N-[(R)-hydroxy(methyl)phosphoryl]-D-' non-polymer        24  14 .
G05      G05 '"(4aR,6r,7aS)-hexahydro-4aH-cyclopen' non-polymer        80  40 .
G0B      G0B '.                                   ' non-polymer       124  60 .
G0G      G0G 'N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS' non-polymer        70  39 .
G11      G11 '6-[5-(cyclopropylcarbamoyl)-2-methyl' non-polymer        49  26 .
G12      G12 '3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CH' non-polymer        21  15 .
G13      G13 'N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl' non-polymer        73  35 .
G14      G14 '2-phenyl-1H-imidazole-4-carboxylic a' non-polymer        21  14 .
G15      G15 '5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1' non-polymer        52  31 .
G16      G16 'ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE    ' pyranose           30  20 .
G19      G19 '"(2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5' non-polymer        70  36 .
G1C      G1C '"5'-O-[(R)-{[(S)-[(S)-chloro(phospho' non-polymer        48  32 .
G1G      G1G '7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5' non-polymer        82  53 .
G1L      G1L '3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOR' non-polymer        31  18 .
G1M      G1M '"2'-deoxy-5'-O-[(R)-hydroxy({(S)-hyd' non-polymer        51  32 .
G1P      G1P 'ALPHA-D-GLUCOSE-1-PHOSPHATE         ' pyranose           27  16 .
G1R      G1R '"[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6' non-polymer        58  37 .
G20      G20 '"4-ACETYL-4-GUANIDINO-6-METHYL(PROPY' non-polymer        46  24 .
G21      G21 '"5-ACETYLAMINO-4-AMINO-6-(PHENETHYLP' non-polymer        56  28 .
G23      G23 '"(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHEN' non-polymer        57  31 .
G24      G24 '[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DI' non-polymer        51  28 .
G25      G25 'GUANOSINE-5'-MONOPHOSPHATE          ' RNA                36  24 .
G26      G26 '"2-(BENZYLCARBAMOYL-PHENYLACETYLAMIN' non-polymer        79  41 .
G27      G27 '(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PH' non-polymer        42  19 .
G28      G28 '5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAM' non-polymer        43  21 .
G2C      G2C '"2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(' non-polymer        48  33 .
G2F      G2F '2-DEOXY-2FLUORO-GLUCOSE             ' pyranose           23  12 .
G2G      G2G '5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[' non-polymer        82  43 .
G2H      G2H '2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIH' non-polymer        17  10 .
G2I      G2I '"(3R,4R,5R)-3-hydroxy-5-(hydroxymeth' non-polymer        65  32 .
G2L      G2L '3'-O-METHYOXYETHYL-GUANOSINE-5'-MONO' RNA                46  28 .
G2M      G2M '"2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hyd' non-polymer        54  33 .
G2N      G2N '"ethyl [(2R)-5-amino-2-methyl-3-phen' non-polymer        43  24 .
G2P      G2P 'PHOSPHOMETHYLPHOSPHONIC ACID GUANYLA' non-polymer        48  32 .
G2R      G2R '"[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6' non-polymer        57  36 .
G2S      G2S 'GUANOSINE-5'-DITHIOPHOSPHORATE      ' non-polymer        37  23 .
G30      G30 '(1S,2R)-2-[(2,5-difluorophenyl)carba' non-polymer        25  17 .
G31      G31 '3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-M' non-polymer        37  23 .
G34      G34 '"(3AS,4R,5S,6S,8R,9R,9AR,10R)-5-HYDR' non-polymer        83  36 .
G35      G35 '(5R)-5-carbamimidamido-1-(2-deoxy-5-' DNA                37  23 .
G36      G36 'O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPH' non-polymer        41  25 .
G37      G37 '"2-(BENZYLCARBAMOYL-PHENYLACETYLAMIN' non-polymer       102  55 .
G38      G38 '3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOP' non-polymer        36  23 .
G39      G39 '"(3R,4R,5S)-4-(acetylamino)-5-amino-' non-polymer        43  20 .
G3A      G3A 'GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOS' non-polymer        74  50 .
G3B      G3B '2-methyl-5-(3-{4-[(S)-methylsulfinyl' non-polymer        38  24 .
G3D      G3D 'GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOS' non-polymer        43  32 .
G3E      G3E '3-hydroxyquinolin-2(1H)-one         ' non-polymer        19  12 .
G3G      G3G 'N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS' non-polymer        74  41 .
G3H      G3H 'GLYCERALDEHYDE-3-PHOSPHATE          ' non-polymer        15  10 .
G3I      G3I '"(3R,4R,5R)-3-hydroxy-5-(hydroxymeth' non-polymer        86  43 .
G3P      G3P 'SN-GLYCEROL-3-PHOSPHATE             ' non-polymer        17  10 .
G3X      G3X '(4aS,6R,8aS)-3-methoxy-11-(3-piperid' non-polymer        63  29 .
G44      G44 '4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL' non-polymer        46  26 .
G46      G46 '2'-DEOXY-GUANOSINE-5'-MONOTHIOPHOSPH' non-polymer        38  24 .
G47      G47 'N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-5'' non-polymer        42  26 .
G48      G48 '2'-O-METHYOXYETHYL-GUANOSINE-5'-MONO' non-polymer        46  28 .
G49      G49 'N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONO' non-polymer        38  24 .
G4D      G4D '4-DEOXY-ALPHA-D-GLUCOSE             ' pyranose           23  11 .
G4G      G4G '4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBI' non-polymer        78  45 .
G4M      G4M '.                                   ' non-polymer        85  53 .
G4P      G4P 'GUANOSINE-5',3'-TETRAPHOSPHATE      ' non-polymer        47  36 .
G4S      G4S '4-O-sulfo-beta-D-galactopyranose    ' pyranose           28  16 .
G50      G50 '3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDR' non-polymer        34  20 .
G52      G52 '.                                   ' non-polymer        82  42 .
G55      G55 '"(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-b' non-polymer        76  38 .
G58      G58 '"N-(2-chloro-6-fluorobenzyl)-1-methy' non-polymer        59  36 .
G5A      G5A '5'-O-(glycylsulfamoyl)adenosine     ' non-polymer        44  27 .
G5P      G5P '.                                   ' non-polymer        82  58 .
G6A      G6A '"N-cyclopropyl-2',6-dimethyl-4'-(5-m' non-polymer        47  26 .
G6D      G6D '6-DEOXY-ALPHA-D-GLUCOSE             ' non-polymer        23  11 .
G6G      G6G 'N-{3-[(3-{4-[(4-methoxyphenyl)amino]' non-polymer        83  46 .
G6H      G6H 'N-{4-methyl-3-[(3-{4-[(3,4,5-trimeth' non-polymer        74  46 .
G6P      G6P 'ALPHA-D-GLUCOSE-6-PHOSPHATE         ' pyranose           27  16 .
G6Q      G6Q 'GLUCOSE-6-PHOSPHATE                 ' non-polymer        27  16 .
G6S      G6S 'D-GALACTOSE-6-SULFATE               ' pyranose           28  16 .
G6X      G6X '"2-{6-[(4aS,6R,8aS)-6-hydroxy-3-meth' non-polymer        72  38 .
G7M      G7M 'N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE' RNA                40  25 .
G7P      G7P '6,7-DIDEOXY-7-PHOSPHONO-BETA-D-GLUCO' non-polymer        31  16 .
G80      G80 '"(3AS,4R,5S,6S,8R,9R,9AR,10R)-5-HYDR' non-polymer        76  33 .
G88      G88 '(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC' non-polymer        23  14 .
G93      G93 '4-{2-(4-amino-2,5-dihydro-1,2,5-oxad' non-polymer        62  31 .
G95      G95 'N-[(1S)-2-amino-1-phenylethyl]-5-(1H' non-polymer        44  26 .
G96      G96 '4-[2-(4-amino-2,5-dihydro-1,2,5-oxad' non-polymer        65  34 .
G97      G97 'N-[2-phenyl-4-(1H-pyrazol-3-ylamino)' non-polymer        43  27 .
G98      G98 '4-[2-(4-amino-2,5-dihydro-1,2,5-oxad' non-polymer        65  34 .
G9D      G9D '3-(morpholin-4-ylmethyl)-1,5-dihydro' non-polymer        37  21 .
G9F      G9F '2-{4-[3-(dimethylamino)propoxy]pheny' non-polymer        51  27 .
G9G      G9G '2-(4-methylpiperazin-1-yl)benzo[c][1' non-polymer        40  22 .
G9H      G9H '2-[(dimethylamino)methyl]-5,6-dihydr' non-polymer        34  18 .
G9I      G9I '2-{2-[4-(pyrrolidin-1-ylmethyl)pheny' non-polymer        54  28 .
G9L      G9L '8-fluoro-2-(3-piperidin-1-ylpropanoy' non-polymer        50  26 .
G9M      G9M 'N-(6-oxo-5,6-dihydrobenzo[c][1,5]nap' non-polymer        57  30 .
G9P      G9P '"(11bR)-3-oxo-1,2,3,11b-tetrahydroch' non-polymer        33  22 .
GA0      GA0 'GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEA' non-polymer        51  27 .
GA2      GA2 '9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUAN' non-polymer        31  18 .
GA3      GA3 'GIBBERELLIN A3                      ' non-polymer        46  25 .
GA4      GA4 'GIBBERELLIN A4                      ' non-polymer        47  24 .
GA9      GA9 '3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-C' non-polymer        44  31 .
GAA      GAA 'METANITROPHENYL-ALPHA-D-GALACTOSIDE ' non-polymer        36  21 .
GAB      GAB '3-AMINOBENZOIC ACID                 ' non-polymer        16  10 .
GAC      GAC 'DIHYDRO-ACARBOSE                    ' non-polymer        89  44 .
GA       GA  'GALLIUM (III) ION                   ' non-polymer         1   1 .
GAD      GAD '2,6-ANHYDRO-3-DEOXY-D-ERYTHRO-HEX-2-' non-polymer        18  11 .
GAE      GAE 'D-galactaric acid                   ' non-polymer        22  14 .
GAF      GAF '2-DEOXY-2-FLUORO-ALPHA-D-GALACTOPYRA' non-polymer        23  12 .
GAG      GAG '3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID' non-polymer        11   9 .
GAH      GAH 'N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)MET' non-polymer       116  55 .
GAI      GAI 'GUANIDINE                           ' non-polymer         9   4 .
GAJ      GAJ 'N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 ' non-polymer        33  24 .
GAL      GAL 'BETA-D-GALACTOSE                    ' pyranose           24  12 .
GAM      GAM 'ALPHA-METHYL-L-GLUTAMIC ACID        ' non-polymer        20  11 .
GAN      GAN '2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-' non-polymer        93  42 .
GAO      GAO '.                                   ' RNA                36  24 .
GAP      GAP 'GLYCYL-ADENOSINE-5'-PHOSPHATE       ' non-polymer        44  27 .
GAQ      GAQ '5-HYDROXYPENTANAL                   ' non-polymer        17   7 .
GAR      GAR 'GLYCINAMIDE RIBONUCLEOTIDE          ' non-polymer        31  18 .
GAS      GAS '.                                   ' non-polymer        48  29 .
GAT      GAT '4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANO' non-polymer        36  19 .
GAU      GAU '(4S)-4-AMINO-5-HYDROXYPENTANOIC ACID' non-polymer        19   9 .
GAV      GAV 'GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPH' non-polymer        45  32 .
GAX      GAX '1-{3-[(4-pyridin-2-ylpiperazin-1-yl)' non-polymer        50  30 .
GB1      GB1 '(2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHE' non-polymer        38  18 .
GB2      GB2 '(2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHE' non-polymer        38  18 .
GB3      GB3 '(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-' non-polymer        41  19 .
GB4      GB4 '(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROX' non-polymer        21  14 .
GB5      GB5 '(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACR' non-polymer        21  13 .
GB6      GB6 '(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2' non-polymer        37  19 .
GB7      GB7 '(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2' non-polymer        40  20 .
GBC      GBC 'GABACULINE                          ' non-polymer        20  10 .
GB       GB  'METHYLPHOSPHONIC ACID ESTER GROUP   ' non-polymer        10   5 .
GBD      GBD '4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOX' non-polymer        10   9 .
GBI      GBI 'S-(3-IODOBENZYL)GLUTATHIONE         ' non-polymer        48  28 .
GBL      GBL 'GAMMA-BUTYROLACTONE                 ' non-polymer        12   6 .
GBN      GBN '[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC AC' non-polymer        28  12 .
GBO      GBO '"(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S' non-polymer        67  35 .
GBP      GBP 'S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)' non-polymer        52  31 .
GBR      GBR '"5'-O-[(R)-{[(S)-[(R)-bromo(phosphon' non-polymer        48  32 .
GBS      GBS '4-GUANIDINOBENZOIC ACID             ' non-polymer        21  13 .
GBX      GBX '"2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMO' non-polymer        68  43 .
GC1      GC1 '2,6-ANHYDRO-L-GULONIC ACID          ' pyranose           21  12 .
GC2      GC2 '6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE ' non-polymer        34  16 .
GC4      GC4 '4-DEOXY-D-GLUCURONIC ACID           ' pyranose           21  12 .
GC7      GC7 '1-GUANIDINIUM-7-AMINOHEPTANE        ' non-polymer        34  12 .
GCA      GCA '6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMET' non-polymer        50  24 .
GCD      GCD '4,5-DEHYDRO-D-GLUCURONIC ACID       ' non-polymer        19  12 .
GCG      GCG 'BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINY' non-polymer        95  48 .
GCH      GCH 'GLYCOCHOLIC ACID                    ' non-polymer        75  33 .
G        G   'GUANOSINE-5'-MONOPHOSPHATE          ' RNA                36  24 .
GCK      GCK '.                                   ' non-polymer        56  34 .
GCN      GCN '3-DEOXY-D-GLUCOSAMINE               ' pyranose           24  11 .
GCO      GCO 'GLUCONIC ACID                       ' non-polymer        24  13 .
GCP      GCP 'PHOSPHOMETHYLPHOSPHONIC ACID GUANYLA' non-polymer        49  32 .
GCQ      GCQ 'GEMCITABINE DIPHOSPHATE             ' non-polymer        36  26 .
#GCR      GCR 'GALLICHROME                         ' non-polymer        95  51 .
GCS      GCS 'D-GLUCOSAMINE                       ' pyranose           25  12 .
GCT      GCT '4,5-DIHYDROXY-TETRAHYDRO-PYRAN-2-CAR' pyranose           20  11 .
GCU      GCU 'D-GLUCURONIC ACID                   ' pyranose           22  13 .
GCV      GCV '4-O-METHYL-ALPHA-D-GLUCURONIC ACID  ' pyranose           25  14 .
GCW      GCW '4-O-METHYL-BETA-D-GLUCURONIC ACID   ' pyranose           25  14 .
GD3      GD3 'GADOLINIUM ION                      ' non-polymer         1   1 .
GD7      GD7 '(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHY' non-polymer        27  10 .
GD8      GD8 '(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHY' non-polymer        27  10 .
GD9      GD9 '2-(1H-indazol-4-yl)-6-{[4-(methylsul' non-polymer        62  35 .
GDA      GDA '4-DEOXY-4-AMINO-BETA-D-GLUCOSE      ' non-polymer        25  12 .
GDC      GDC 'GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALA' non-polymer        62  39 .
GD       GD  'GADOLINIUM ATOM                     ' non-polymer         1   1 .
GDD      GDD 'GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MAN' non-polymer        62  39 .
GDL      GDL '2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LA' non-polymer        28  15 .
GDM      GDM 'GELDANAMYCIN                        ' non-polymer        80  40 .
GDN      GDN 'GLUTATHIONE S-(2,4 DINITROBENZENE)  ' non-polymer        49  32 .
GDP      GDP 'GUANOSINE-5'-DIPHOSPHATE            ' non-polymer        40  28 .
GDR      GDR 'GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE   ' non-polymer        61  38 .
GDS      GDS 'OXIDIZED GLUTATHIONE DISULFIDE      ' non-polymer        68  40 .
GDT      GDT '(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z' non-polymer        81  37 .
GDU      GDU 'GALACTOSE-URIDINE-5'-DIPHOSPHATE    ' non-polymer        58  36 .
GDV      GDV '(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DI' non-polymer        47  26 .
GDX      GDX '.                                   ' non-polymer        60  40 .
GE1      GE1 '3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACT' non-polymer        24  10 .
GE2      GE2 '3,5-DIAMINO-CYCLOHEXANOL            ' non-polymer        23   9 .
GE3      GE3 '5-METHYL-4-METHYLAMINO-TETRAHYDRO-PY' non-polymer        27  12 .
GEA      GEA 'GE2270A                             ' non-polymer       142  87 .
GEG      GEG '(4E)-4-AMINOHEX-4-ENOIC ACID        ' non-polymer        19   9 .
GEL      GEL '1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYC' non-polymer        75  31 .
GEM      GEM '(2-GUANIDINOETHYLMERCAPTO)SUCCINIC A' non-polymer        26  15 .
GEN      GEN 'GENISTEIN                           ' non-polymer        30  20 .
GEO      GEO 'GEMCITABINE                         ' non-polymer        29  18 .
GEP      GEP 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-E' non-polymer        52  24 .
GEQ      GEQ '5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-Y' non-polymer        53  30 .
GER      GER 'GERAN-8-YL GERAN                    ' non-polymer        54  20 .
GET      GET 'GENETICIN                           ' non-polymer        74  34 .
GF1      GF1 '"(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooc' non-polymer        31  17 .
GF2      GF2 '.                                   ' DNA                35  24 .
GF4      GF4 '4-ethyl-5-methyl-2-(1H-tetrazol-5-yl' non-polymer        24  14 .
GF7      GF7 '(3S)-1-(4-acetylphenyl)-5-oxopyrroli' non-polymer        30  18 .
GFA      GFA '2-[4-chloro-2-(phenylcarbonyl)phenox' non-polymer        42  26 .
GFC      GFC '"5'-O-[(S)-{[(S)-[(S)-chloro(fluoro)' non-polymer        48  33 .
GFF      GFF '"2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHON' non-polymer        48  33 .
GFG      GFG '"ALPHA-D-GLUCOPYRANOSYL-(1->3)-ALPHA' pyranose           66  34 .
GFH      GFH '"2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUOR' non-polymer        48  32 .
GFL      GFL '"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHO' non-polymer        35  24 .
GFM      GFM '"2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fl' non-polymer        51  33 .
GFP      GFP '2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-P' pyranose           26  16 .
GG1      GG1 '"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP' non-polymer        51  32 .
GG2      GG2 '1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OX' non-polymer        59  34 .
GG3      GG3 '{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)A' non-polymer        49  24 .
GG4      GG4 '.                                   ' non-polymer       109  52 .
GG5      GG5 '4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-Y' non-polymer        28  18 .
GG6      GG6 '[(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHO' non-polymer        18   9 .
GG7      GG7 '[(1R)-1-AMINOETHYL]PHOSPHONIC ACID  ' non-polymer        15   7 .
GG9      GG9 '"(3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DI' non-polymer        36  28 .
GGA      GGA 'D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMIN' non-polymer        67  33 .
GGB      GGB 'L-CANAVANINE                        ' non-polymer        23  12 .
GGC      GGC '1-MENAPHTHYL GLUTATHIONE CONJUGATE  ' non-polymer        54  31 .
GGD      GGD '"NONADEC-10-ENOIC ACID 2-[3,4-DIHYDR' non-polymer       161  67 .
GGG      GGG 'glycylglycylglycine                 ' non-polymer        23  13 .
GGH      GGH '"2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHO' non-polymer        48  31 .
GGO      GGO '(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXO' non-polymer        47  28 .
GGP      GGP 'BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLU' non-polymer        99  67 .
GGT      GGT 'Trioxacarcin A                      ' non-polymer       114  62 .
GGV      GGV '.                                   ' non-polymer       126  63 .
GGW      GGW '"methyl [(1S,4S,5S,7S,10S)-4-benzyl-' non-polymer       104  51 .
GGX      GGX '.                                   ' non-polymer       119  60 .
GGZ      GGZ '"(2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PU' non-polymer        41  30 .
GH3      GH3 '3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE  ' non-polymer        43  31 .
GHA      GHA '.                                   ' non-polymer        38  20 .
GHC      GHC '"N-({4-[(2-amino-6-ethyl-4-oxo-3,4-d' non-polymer        50  32 .
GHG      GHG '(2S,4S)-2,5-diamino-4-hydroxy-5-oxop' peptide            20  11 .
GHP      GHP '(2R)-amino(4-hydroxyphenyl)ethanoic ' peptide            20  12 .
GHR      GHR '"[[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-' non-polymer        39  23 .
GHW      GHW '"N-({4-[(2-amino-6-methyl-4-oxo-3,4-' non-polymer        47  31 .
GIC      GIC 'N-(2-aminoethyl)-N-(1H-indol-3-ylace' non-polymer        36  20 .
GI1      GI1 'METHOXYCARBONYL-SUBSTITUTED GLUCOIMI' non-polymer        35  18 .
GI2      GI2 'METHYL ACETATE-SUBSTITUTED GLUCOIMID' non-polymer        36  19 .
GI3      GI3 'CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZO' non-polymer        29  17 .
GI4      GI4 'METHYL ACETIC ACID-SUBSTITUTED GLUCO' non-polymer        32  18 .
GIA      GIA '3-fluoro-N-(naphthalen-2-ylcarbonyl)' non-polymer        40  25 .
GIG      GIG '"METHYL (5-{4-[({[2-FLUORO-5-(TRIFLU' non-polymer        53  36 .
GIL      GIL '"2-{[6-{3-[AMINO(IMINO)METHYL]PHENOX' non-polymer        76  42 .
GIM      GIM 'GLUCOIMIDAZOLE                      ' non-polymer        27  14 .
GIN      GIN '2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)M' non-polymer        53  31 .
GIO      GIO 'CYCLO-(GLYCINE-L-PROLINE) INHIBITOR ' non-polymer        21  11 .
GIP      GIP 'S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)G' non-polymer        52  31 .
GIQ      GIQ '3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2' non-polymer        25  15 .
GIR      GIR 'GIRODAZOLE                          ' non-polymer        23  12 .
GIS      GIS 'ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENY' non-polymer        33  20 .
GJW      GJW '7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2' non-polymer        37  20 .
GJZ      GJZ '(1R,2S)-2-phenylcyclopropanamine    ' non-polymer        21  10 .
GK1      GK1 '4-{4-[(5-hydroxy-2-methylphenyl)amin' non-polymer        41  26 .
GK3      GK3 '"N-(3-cyanophenyl)-2'-methyl-5'-(5-m' non-polymer        48  30 .
GK4      GK4 '"N-(cyclopropylmethyl)-2'-methyl-5'-' non-polymer        47  26 .
GK5      GK5 'N~3~-cyclopropyl-N~4~'-(cyclopropylm' non-polymer        50  26 .
GK6      GK6 '"N-{4'-[(cyclopropylmethyl)carbamoyl' non-polymer        65  35 .
GKD      GKD '.                                   ' non-polymer        60  39 .
GKE      GKE '.                                   ' non-polymer        62  39 .
GKK      GKK '2-chloro-4-{[(3S)-1-methylpyrrolidin' non-polymer        46  27 .
GKR      GKR 'D-GLUCARATE                         ' non-polymer        22  14 .
GL0      GL0 'beta-D-gulopyranose                 ' non-polymer        24  12 .
GL1      GL1 '1-O-phosphono-alpha-D-galactopyranos' non-polymer        27  16 .
GL2      GL2 '3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYM' pyranose           31  18 .
GL3      GL3 'THIOGLYCIN                          ' non-polymer        10   5 .
GL4      GL4 '8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-' non-polymer        29  17 .
GL5      GL5 '3,8,9,10-TETRAHYDROXY-7-HYDROXYMETHY' pyranose           30  18 .
GL6      GL6 '"(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-T' pyranose           36  18 .
GL7      GL7 '8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-3-' pyranose           32  18 .
GL8      GL8 'GALANTHAMINE DERIVATIVE             ' non-polymer        76  39 .
GL9      GL9 'N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL' pyranose           36  21 .
GLA      GLA 'ALPHA D-GALACTOSE                   ' pyranose           24  12 .
GLC      GLC 'ALPHA-D-GLUCOSE                     ' pyranose           24  12 .
GLD      GLD '4,6-DIDEOXYGLUCOSE                  ' pyranose           22  10 .
GLE      GLE '1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO' non-polymer        57  26 .
GLF      GLF '1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE    ' pyranose           23  12 .
GLG      GLG 'ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ' pyranose           27  14 .
GLH      GLH 'N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO' peptide            55  25 .
GLL      GLL 'GLYCOLURIL                          ' non-polymer        16  10 .
GLM      GLM '1-AMINO-PROPAN-2-ONE                ' non-polymer        12   5 .
GLN      GLN 'GLUTAMINE                           ' peptide            17   9 .
GLO      GLO 'D-GLUCOSE IN LINEAR FORM            ' non-polymer        24  12 .
GLP      GLP 'GLUCOSAMINE 6-PHOSPHATE             ' pyranose           28  16 .
GLQ      GLQ '4-AMINO-5-OXO-PENTANOIC ACID        ' non-polymer        17   9 .
GLR      GLR '2,3-DIHYDROXY-5-OXO-HEXANEDIOATE    ' non-polymer        19  13 .
GLS      GLS 'BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN ' pyranose           29  17 .
GLT      GLT '5-DEOXY-5-THIO-ALPHA-D-GLUCOSE      ' non-polymer        24  12 .
GLU      GLU 'GLUTAMIC-ACID                       ' peptide            15   9 .
GLV      GLV 'GLYOXYLIC ACID                      ' non-polymer         6   5 .
GLX      GLX 'GLU/GLN AMBIGUOUS                   ' non-polymer        22   9 .
GLY      GLY 'GLYCINE                             ' peptide             7   4 .
GLZ      GLZ 'AMINO-ACETALDEHYDE                  ' non-polymer         9   4 .
GM1      GM1 'AMINOMETHYLAMIDE                    ' non-polymer        11   5 .
GM2      GM2 'N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,' non-polymer       137  52 .
GM3      GM3 'N-{1-[(HEXOPYRANOSYLOXY)METHYL]-2-HY' non-polymer       158  59 .
GM6      GM6 '3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLP' non-polymer        56  28 .
GMA      GMA '4-AMIDO-4-CARBAMOYL-BUTYRIC ACID    ' non-polymer        19  10 .
GMB      GMB '1,7-di-O-phosphono-L-glycero-beta-D-' non-polymer        34  22 .
GMC      GMC '(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYL' non-polymer        39  21 .
GME      GME '5-O-methyl-glutamic acid            ' peptide            21  11 .
GMG      GMG '[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3' non-polymer        46  29 .
GMH      GMH 'L-GLYCERO-D-MANNO-HEPTOPYRANOSE     ' pyranose           28  14 .
GMM      GMM 'GLUCOSE MONOMYCOLATE                ' non-polymer       200  74 .
GMN      GMN '2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY' non-polymer        96  36 .
GMP      GMP 'GUANOSINE                           ' non-polymer        33  20 .
GMS      GMS '2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSP' non-polymer        37  23 .
GMU      GMU '.                                   ' DNA                50  28 .
GMY      GMY 'GELDANAMYCIN                        ' non-polymer        80  40 .
GN1      GN1 '2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHON' non-polymer        33  19 .
GN7      GN7 'N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHA' DNA                35  23 .
GN8      GN8 '(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBEN' non-polymer        37  25 .
GNA      GNA '2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEU' non-polymer        44  23 .
GNB      GNB 'S-P-NITROBENZYLOXYCARBONYLGLUTATHION' non-polymer        55  33 .
GND      GND '2-AMINO-5-GUANIDINO-PENTANOIC ACID  ' peptide            26  12 .
GNE      GNE '1,N2-ETHENOGUANINE                  ' DNA                37  25 .
GNF      GNF 'N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXY' non-polymer        64  32 .
GNG      GNG '2'-DEOXY-GUANOSINE                  ' non-polymer        32  19 .
GNH      GNH 'AMINOPHOSPHONIC ACID-GUANYLATE ESTER' non-polymer        43  28 .
GNI      GNI '"(3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETH' non-polymer        54  35 .
GNP      GNP 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLAT' non-polymer        48  32 .
GNQ      GNQ 'N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2' non-polymer        70  39 .
GNR      GNR '2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4' non-polymer        26  16 .
GNS      GNS 'N-SULFO-ALPHA-D-GLUCOSAMINE         ' non-polymer        29  16 .
GNT      GNT '(-)-GALANTHAMINE                    ' non-polymer        42  21 .
GO0      GO0 '3-(carboxymethyl)-4,7-dichloro-1H-in' non-polymer        23  18 .
GO1      GO1 '3-(carboxymethyl)-5,7-dichloro-1H-in' non-polymer        23  18 .
GOA      GOA 'GLYCOLIC ACID                       ' non-polymer         8   5 .
GOL      GOL 'GLYCEROL                            ' non-polymer        14   6 .
GOM      GOM 'GLUTAMOL-AMP                        ' non-polymer        53  31 .
GOO      GOO '(1R,2R,3R,4S,5R)-4-amino-5-methoxycy' non-polymer        24  11 .
GOX      GOX '(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HY' non-polymer        25  13 .
GP1      GP1 'GLUCOSAMINE 1-PHOSPHATE             ' non-polymer        28  16 .
GP2      GP2 'PHOSPHOMETHYLPHOSPHONIC ACID GUANOSY' non-polymer        45  28 .
GP3      GP3 'DIGUANOSINE-5'-TRIPHOSPHATE         ' non-polymer        75  51 .
GP4      GP4 'GLUCOSAMINE 4-PHOSPHATE             ' non-polymer        28  16 .
GP5      GP5 'DIGUANOSINE-PENTAPHOSPHATE          ' non-polymer        83  59 .
GP6      GP6 '1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENY' non-polymer        33  20 .
GP7      GP7 '"(1R)-2-{[(S)-(2-aminoethoxy)(hydrox' non-polymer       113  46 .
GP8      GP8 '1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL' non-polymer        44  26 .
GP9      GP9 '(2R)-2,3-dihydroxypropyl phosphate  ' non-polymer        17  10 .
GPB      GPB '"N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROL' non-polymer        52  31 .
GPC      GPC '2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYT' non-polymer        63  40 .
GPD      GPD '(2R,3S,5S,6R)-5-amino-3-hydroxy-6-me' non-polymer        61  37 .
GPE      GPE 'L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMIN' non-polymer        26  13 .
GPF      GPF 'N-(phosphonomethyl)glycine          ' non-polymer        17  10 .
GPG      GPG 'GUANYLYL-2',5'-PHOSPHOGUANOSINE     ' non-polymer        67  43 .
GPH      GPH '4-O-phosphono-D-glycero-beta-D-manno' pyranose           31  18 .
GPI      GPI '(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIM' non-polymer        54  26 .
GPJ      GPJ 'GLYPHOSATE                          ' non-polymer        18  10 .
GPL      GPL '.                                   ' peptide            58  33 .
GPM      GPM 'GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC A' pyranose           31  16 .
GPN      GPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        37  22 .
GPO      GPO '4-O-phosphono-D-glycero-beta-D-manno' non-polymer        31  18 .
GPP      GPP 'GERANYL DIPHOSPHATE                 ' non-polymer        36  19 .
GPR      GPR '(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDRO' non-polymer        60  35 .
GPS      GPS '"L-gamma-glutamyl-S-[(9S,10S)-10-hyd' non-polymer        60  35 .
GPT      GPT '(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en' non-polymer        43  21 .
GPX      GPX '.                                   ' non-polymer        41  31 .
GQL      GQL '(E)-[4-(3,5-difluorophenyl)-3H-pyrro' non-polymer        41  27 .
GR0      GR0 'GERANYLGERANYL MONOPHOSPHATE        ' non-polymer        58  25 .
GR1      GR1 '"6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARB' non-polymer        68  34 .
GR3      GR3 '"3-ACETOXY-17-(1-FORMYL-5-METHYL-3-O' non-polymer        84  39 .
GR4      GR4 '.                                   ' non-polymer       108  52 .
GR6      GR6 '"(3R,3aS,6aR)-hexahydrofuro[2,3-b]fu' non-polymer        86  44 .
GRA      GRA 'glutaryl-coenzyme A                 ' non-polymer        93  56 .
GRD      GRD '"benzyl (S)-1-((2S,3S)-1-(3-(6-amino' non-polymer        78  40 .
GRE      GRE '2,6-DIHYDROXYBENZOIC ACID           ' non-polymer        16  11 .
GRF      GRF '5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAM' non-polymer        24  14 .
GRG      GRG 'GERANYLGERANYL DIPHOSPHATE          ' non-polymer        62  29 .
GRL      GRL '"(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENT' non-polymer        79  39 .
GRM      GRM 'N-(1,3-benzodioxol-5-ylmethyl)-1-[(1' non-polymer        59  31 .
GRO      GRO 'R-2-PHENYL-PROPRIONIC ACID          ' non-polymer        20  11 .
GRR      GRR '(2S)-2-(4-ethylphenoxy)-3-phenylprop' non-polymer        37  20 .
GS1      GS1 '1-THIO-BETA-D-GLUCOPYRANOSE         ' pyranose           24  12 .
GS2      GS2 '2-[(2-{[1-(N,N-dimethylglycyl)-5-met' non-polymer        66  39 .
GS3      GS3 '2-fluoro-6-{[2-({2-methoxy-4-[4-(1-m' non-polymer        69  38 .
GS5      GS5 '5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-' non-polymer        52  30 .
GS6      GS6 '6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-' non-polymer        52  30 .
GS7      GS7 '2-fluoro-6-{[2-({2-methoxy-4-[(methy' non-polymer        55  34 .
GSB      GSB 'S-BENZYL-GLUTATHIONE                ' non-polymer        48  27 .
GSC      GSC '2-ETHYLTHIO GLYCINE                 ' peptide            16   8 .
GS       GS  'GUANOSINE-5'-THIO-MONOPHOSPHATE     ' non-polymer        37  23 .
GSE      GSE 'L-ALPHA-GLYCEROPHOSPHORYLSERINE     ' non-polymer        28  16 .
GSF      GSF 'L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLG' non-polymer        37  22 .
GSG      GSG '"1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,' non-polymer        55  28 .
GSH      GSH 'GLUTATHIONE                         ' non-polymer        35  20 .
GSI      GSI '2-(5-chlorothiophen-2-yl)-N-[(3S)-1-' non-polymer        59  34 .
GSJ      GSJ '"1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLO' non-polymer        67  36 .
GSK      GSK '"6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2' non-polymer        55  31 .
GSL      GSL '"(2S,3R)-3-HYDROXY-2-(TETRADECANOYLA' non-polymer       120  48 .
GSM      GSM 'L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGL' non-polymer        38  21 .
GSN      GSN '2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBA' non-polymer        36  22 .
GSO      GSO 'L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2' non-polymer        52  29 .
GSP      GSP '5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHO' non-polymer        46  32 .
GSQ      GSQ '5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-' non-polymer        53  30 .
GSR      GSR '.                                   ' DNA                52  32 .
GSS      GSS '.                                   ' DNA                52  32 .
GST      GST 'GERANYL S-THIOLODIPHOSPHATE         ' non-polymer        37  19 .
GSU      GSU 'O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE' non-polymer        52  32 .
GSV      GSV '"2-(5-chlorothiophen-2-yl)-N-{(3S)-1' non-polymer        57  35 .
GSW      GSW 'D-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINE ' non-polymer        35  20 .
GSX      GSX '"5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-' non-polymer        53  31 .
GSZ      GSZ 'N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HY' non-polymer        55  27 .
GT9      GT9 'S-NONYL-CYSTEINE                    ' peptide            40  16 .
GTA      GTA 'P1-7-METHYLGUANOSINE-P3-ADENOSINE-5'' non-polymer        78  51 .
GTB      GTB 'S-(P-NITROBENZYL)GLUTATHIONE        ' non-polymer        50  30 .
GTC      GTC '"(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-' non-polymer        27  15 .
GTD      GTD '1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYC' non-polymer        53  35 .
GTF      GTF '.                                   ' non-polymer        40  30 .
GTG      GTG '7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5' non-polymer        79  52 .
GTH      GTH '3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOX' non-polymer        64  33 .
GTL      GTL '(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-' non-polymer        25  13 .
GTM      GTM 'O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUC' non-polymer        27  13 .
GTP      GTP 'GUANOSINE-5'-TRIPHOSPHATE           ' non-polymer        44  32 .
GTQ      GTQ '2,5-dihydroxybenzoic acid           ' non-polymer        16  11 .
GTR      GTR 'GALACTURONIC ACID                   ' pyranose           22  13 .
GTS      GTS 'GLUTATHIONE SULFONIC ACID           ' non-polymer        38  23 .
GTT      GTT 'GLUTATHIONE                         ' non-polymer        36  20 .
GTX      GTX 'S-HEXYLGLUTATHIONE                  ' non-polymer        54  26 .
GTY      GTY 'L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYL' non-polymer        59  28 .
GTZ      GTZ '(5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7' non-polymer        24  14 .
GU0      GU0 '2,3,6-TRI-O-SULFONATO-ALPHA-L-GALACT' pyranose           33  24 .
GU1      GU1 '2,3-DI-O-METHYL-BETA-D-GLUCOPYRANURO' pyranose           28  15 .
GU2      GU2 '2,3-DI-O-METHYL-ALPHA-L-IDOPYRANURON' pyranose           28  15 .
GU3      GU3 'methyl 3-O-methyl-2,6-di-O-sulfo-alp' pyranose           38  22 .
GU4      GU4 '2,3,4,6-TETRA-O-SULFONATO-ALPHA-D-GL' pyranose           36  28 .
GU5      GU5 '2,3-DI-O-METHYL-6-O-SULFONATO-ALPHA-' pyranose           33  18 .
GU6      GU6 '2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOP' pyranose           33  24 .
GU7      GU7 '2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMET' non-polymer        35  19 .
GU8      GU8 '2,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRAN' pyranose           33  15 .
GU9      GU9 '2,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRA' pyranose           33  15 .
GUA      GUA 'GLUTARIC ACID                       ' non-polymer        15   9 .
GUB      GUB '9-alpha-L-lyxofuranosyl-N-(2-phenyle' non-polymer        48  27 .
GUD      GUD 'GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE   ' non-polymer        58  36 .
GUI      GUI '"5-CHLORO-N-[2-METHOXY-4-[4-(4-METHY' non-polymer        82  42 .
GUL      GUL '5-FLUORO-BETA-L-GULOSYL FLUORIDE    ' non-polymer        23  13 .
GUM      GUM '4-METHYL-UMBELLIFERYL-N-ACETYL-CHITO' non-polymer        75  41 .
GUN      GUN 'GUANINE                             ' non-polymer        16  11 .
GUP      GUP 'ALPHA-L-GULOPYRANOSIDE              ' pyranose           24  12 .
GUS      GUS '(E)-N-[(5-carbamimidamido-2-hydroxyp' non-polymer        31  18 .
GV9      GV9 '3-(acetylamino)thiophene-2-carboxyli' non-polymer        18  12 .
GVA      GVA '5-{[AMINO(IMINO)METHYL]AMINO}PENTANO' non-polymer        23  11 .
GVB      GVB '(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3' non-polymer        50  24 .
GVC      GVC '1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1' non-polymer        23  17 .
GVD      GVD '[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-' non-polymer        48  29 .
GVE      GVE 'METHYL 4-AMINOBUTANOATE             ' non-polymer        19   8 .
GVF      GVF 'BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIH' non-polymer        28  26 .
GVG      GVG '3-METHYL-4-PHENYL-1H-PYRAZOLE       ' non-polymer        22  12 .
GVH      GVH '1H-PYRROLO[2,3-B]PYRIDINE           ' non-polymer        15   9 .
GVI      GVI 'N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]' non-polymer        31  18 .
GVJ      GVJ '(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHE' non-polymer        38  23 .
GVK      GVK '6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-' non-polymer        48  28 .
GVL      GVL '"O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2' peptide            37  20 .
GVM      GVM '(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ' non-polymer        26  11 .
GVN      GVN '(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYR' non-polymer        37  21 .
GVO      GVO '(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYR' non-polymer        37  21 .
GVP      GVP '4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-' non-polymer        44  24 .
GVQ      GVQ '(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHA' non-polymer        30  16 .
GVR      GVR '(2R)-N-hydroxy-3-naphthalen-2-yl-2-[' non-polymer        50  30 .
GVS      GVS '"ethyl {3-[4-amino-5-{3-[(cyclopropy' non-polymer        50  28 .
GVT      GVT '3,6,9,12,15,18,21,24,27-nonaoxahepta' non-polymer        96  38 .
GW3      GW3 '7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F' non-polymer        39  20 .
GW4      GW4 'N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3' non-polymer        78  43 .
GW5      GW5 '(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-EN' non-polymer        48  27 .
GW6      GW6 '"(6alpha,11alpha,14beta,16alpha,17al' non-polymer        66  37 .
GW7      GW7 'N-{3-chloro-4-[(3-fluorobenzyl)oxy]p' non-polymer        45  28 .
GW9      GW9 '2-chloro-5-nitro-N-phenylbenzamide  ' non-polymer        28  19 .
GWB      GWB '4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO' non-polymer        37  21 .
GWD      GWD '(3E)-3-[(3,5-dibromo-4-hydroxyphenyl' non-polymer        29  21 .
GWE      GWE 'N-{4-[amino(dihydroxy)-lambda~4~-sul' non-polymer        55  36 .
GWI      GWI 'N-({4-[({4-chloro-2-[(3-chloro-5-cya' non-polymer        59  38 .
GWJ      GWJ '2-{4-chloro-2-[(3-chloro-5-cyanophen' non-polymer        51  34 .
GX1      GX1 '2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfan' non-polymer        45  26 .
GXL      GXL 'ALPHA-L-GALACTOPYRANOSE             ' non-polymer        24  12 .
GYC      GYC '"[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETH' non-polymer        36  22 .
GYM      GYM '(2R)-2,3-dihydroxypropyl tetradecano' non-polymer        55  21 .
GYN      GYN 'GYMNODIMINE A                       ' non-polymer        84  37 .
GYP      GYP 'METHYL-ALPHA-D-GLUCOPYRANOSIDE      ' pyranose           27  13 .
GYS      GYS '"[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-' non-polymer        36  22 .
GYT      GYT 'BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLU' non-polymer        99  49 .
GYU      GYU '2-(ACETYLAMINO)-2-DEOXY-1-O-(PROPYLC' non-polymer        43  21 .
GYV      GYV '2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOX' non-polymer        34  18 .
GZ2      GZ2 '3-(1H-tetrazol-5-ylamino)cyclohex-2-' non-polymer        22  13 .
GZC      GZC '"N,N'''-{ethane-1,2-diylbis[nitrilo(' non-polymer        50  28 .
GZL      GZL 'BETA-D-GALACTOFURANOSE              ' non-polymer        24  12 .
GZZ      GZZ 'N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AM' non-polymer        66  25 .
H01      H01 'PROTOPORPHYRIN IX 2,4-DISULFONIC ACI' non-polymer        76  46 .
H02      H02 'N-METHYL PROTOPORPHYRIN IX 2,4-DISUL' non-polymer        83  43 .
H06      H06 '(E)-4-((2-nicotinoylhydrazono)methyl' non-polymer        33  20 .
H0E      H0E '(10S)-3,3-dimethyl-8-{[(2S)-2-(pheno' non-polymer        61  32 .
H11      H11 '(5S)-2-(cyclooctylamino)-5-methyl-5-' non-polymer        45  19 .
H12      H12 '6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQ' non-polymer        44  22 .
H13      H13 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        66  27 .
H15      H15 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        72  29 .
H16      H16 '6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PR' non-polymer        44  22 .
H18      H18 '6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PR' non-polymer        45  23 .
H1D      H1D '"(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDRO' non-polymer        32  17 .
H1L      H1L '"(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROME' non-polymer        34  24 .
H1M      H1M 'methyl 2-deoxy-2-(2-hydroxyethyl)-al' non-polymer        33  15 .
H1N      H1N 'N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN' non-polymer        69  37 .
H1S      H1S 'HEPARIN DISACCHARIDE I-S            ' non-polymer        50  35 .
H20      H20 '6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROP' non-polymer        44  22 .
H21      H21 '5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxo' non-polymer        46  32 .
H22      H22 '5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(' non-polymer        52  32 .
H23      H23 '(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOS' non-polymer        49  21 .
H24      H24 '"(6S)-2-amino-6-(3'-methoxybiphenyl-' non-polymer        45  24 .
H25      H25 '"5-Chloro-thiophene-2-carboxylic aci' non-polymer        53  33 .
H26      H26 '{2-[2-(6-oxo-1,6-dihydro-9H-purin-9-' non-polymer        32  19 .
H2A      H2A '(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6' non-polymer        60  33 .
H2B      H2B '2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8' non-polymer        30  17 .
H2P      H2P 'HEPTULOSE-2-PHOSPHATE               ' pyranose           30  17 .
H2S      H2S 'HYDROSULFURIC ACID                  ' non-polymer         3   1 .
H2U      H2U '5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE ' RNA                34  21 .
H33      H33 '8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H' non-polymer        21  14 .
H35      H35 'N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMIN' non-polymer        25  16 .
H3P      H3P '2,2'-methanediylbis(3,4,6-trichlorop' non-polymer        27  21 .
H3S      H3S 'HEPARIN DISACCHARIDE III-S          ' non-polymer        47  31 .
H4B      H4B '5,6,7,8-TETRAHYDROBIOPTERIN         ' non-polymer        32  17 .
H4M      H4M '5,10-DIMETHYLENE TETRAHYDROMETHANOPT' non-polymer        96  54 .
H4P      H4P '1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOM' non-polymer        38  21 .
H4Z      H4Z '5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-' non-polymer        97  55 .
H52      H52 '(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINO' non-polymer        43  22 .
H53      H53 '2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYME' non-polymer        35  19 .
H59      H59 'N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-' non-polymer        68  38 .
H5M      H5M 'TRANS-3-HYDROXY-5-METHYLPROLINE     ' P-peptide          20  10 .
H5P      H5P 'HYDANTOCIDIN-5'-PHOSPHATE           ' non-polymer        28  19 .
H5S      H5S '(5S)-5-tert-butyl-1-(4-fluoro-3-meth' non-polymer        69  39 .
H5U      H5U 'N-({3-[(5S)-5-tert-butyl-1-(4-fluoro' non-polymer        62  36 .
H64      H64 '8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULF' non-polymer        49  28 .
H71      H71 '8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO' non-polymer        49  28 .
H7J      H7J 'N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3' non-polymer        55  27 .
H86      H86 '3-(decyloxy)-5-(3,5-difluorophenyl)-' non-polymer        69  35 .
H8H      H8H 'N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-' non-polymer        70  38 .
HA1      HA1 '9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GU' non-polymer        36  22 .
HA2      HA2 '"6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PH' non-polymer        56  29 .
HA3      HA3 'N-hydroxy-5-[(3-phenyl-5,6-dihydroim' non-polymer        42  26 .
HA8      HA8 'N6-(buta-2,3-dienyl)adenine         ' non-polymer        23  14 .
HAB      HAB '.                                   ' non-polymer        27  18 .
HAE      HAE 'ACETOHYDROXAMIC ACID                ' non-polymer        10   5 .
HAG      HAG '4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO' non-polymer        62  31 .
HAH      HAH '(1S,2S,3R,6R)-6-[(2-hydroxybenzyl)am' non-polymer        35  18 .
HAI      HAI 'CYCLOHEXYLAMMONIUM ION              ' non-polymer        21   7 .
HAL      HAL 'N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]' non-polymer        61  33 .
HAM      HAM 'HISTIDYL-ADENOSINE MONOPHOSPHATE    ' non-polymer        54  33 .
HAN      HAN '2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1' non-polymer        37  19 .
HAO      HAO '{[3-(hydrazinocarbonyl)-4-methoxyphe' non-polymer        28  18 .
HAQ      HAQ '5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-' non-polymer        31  18 .
HAR      HAR 'N-OMEGA-HYDROXY-L-ARGININE          ' peptide            26  13 .
HAS      HAS 'HEME-AS                             ' non-polymer       127  65 .
HAV      HAV 'HYDROXYAMINOVALINE                  ' non-polymer        21   9 .
HAX      HAX 'N-HYDROXYAMIDOCARBOXYMETHYLDETHIA CO' non-polymer        87  52 .
HAZ      HAZ '"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAH' non-polymer        65  33 .
HB1      HB1 'RUTHENIUM-PYRIDOCARBAZOLE-1         ' non-polymer        43  30 .
HBA      HBA 'P-HYDROXYBENZALDEHYDE               ' non-polymer        15   9 .
HBB      HBB 'N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOP' non-polymer        83  40 .
HBC      HBC '(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT' non-polymer        43  22 .
HBD      HBD '4-HYDROXYBENZAMIDE                  ' non-polymer        17  10 .
HBH      HBH '2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[IS' non-polymer        81  41 .
HBI      HBI '7,8-DIHYDROBIOPTERIN                ' non-polymer        30  17 .
HBM      HBM '"2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1' non-polymer        54  34 .
HBN      HBN 'N-(2-NAPHTHYL)HISTIDINAMIDE         ' non-polymer        37  21 .
HBO      HBO '2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-B' non-polymer        24  15 .
HBP      HBP '1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDIN' non-polymer        51  25 .
HBQ      HBQ 'ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OX' non-polymer        37  20 .
HBR      HBR 'R,3-HYDROXYBUTAN-2-ONE              ' non-polymer        14   6 .
HBS      HBS 'S,3-HYDROXYBUTAN-2-ONE              ' non-polymer        14   6 .
HBT      HBT '(6S)-6-methyl-2-{[(2-nitrophenyl)car' non-polymer        42  25 .
HBU      HBU '4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-O' non-polymer        19  11 .
HBX      HBX 'benzaldehyde                        ' non-polymer        14   8 .
HBY      HBY '(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3' non-polymer        42  22 .
HBZ      HBZ 'N-{[(4-hydroxyphenyl)carbonyl]carbam' non-polymer        42  24 .
HC0      HC0 '2 IRON/2 SULFUR/6 CARBONYL/1 WATER I' non-polymer        24  17 .
HC1      HC1 '2 IRON/2 SULFUR/5 CARBONYL/2 WATER I' non-polymer        24  16 .
HC2      HC2 '20-HYDROXYCHOLESTEROL               ' non-polymer        75  29 .
HC3      HC3 '25-HYDROXYCHOLESTEROL               ' non-polymer        75  29 .
HC4      HC4 '.                                   ' non-polymer        19  12 .
HC5      HC5 '(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-' non-polymer        43  18 .
HC6      HC6 '(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(' non-polymer        64  30 .
HC7      HC7 '"(2S)-2-[4'-({dimethyl[2-(phosphonoo' non-polymer        67  34 .
HC8      HC8 '1-(3-acetyl-4,5-dihydroxy-7-methoxyn' non-polymer        37  21 .
HC9      HC9 '(3alpha,8alpha,22R)-cholest-5-ene-3,' non-polymer        75  29 .
HCA      HCA '3-HYDROXY-3-CARBOXY-ADIPIC ACID     ' non-polymer        21  14 .
HCB      HCB '5-HYDROXYBENZIMIDAZOLYLCOBAMIDE     ' non-polymer       174  90 .
HCC      HCC '2',4,4'-TRIHYDROXYCHALCONE          ' non-polymer        31  19 .
HCG      HCG 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        38  21 .
HCI      HCI 'HYDROCINNAMIC ACID                  ' non-polymer        20  11 .
HCN      HCN '2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE' non-polymer        28  18 .
HCO      HCO '2-ACETYL-PROTOPORPHYRIN IX          ' non-polymer        76  44 .
HCP      HCP '"1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PH' non-polymer        43  25 .
HCR      HCR '7-HYDROXYCHOLESTEROL                ' non-polymer        75  29 .
HCS      HCS '2-AMINO-4-MERCAPTO-BUTYRIC ACID     ' peptide            16   8 .
HCT      HCT '(2R)-butane-1,2,4-tricarboxylic acid' non-polymer        20  13 .
HCX      HCX '(SOUTH) BICYCLO[3.1.0]HEXANE        ' non-polymer        25  12 .
HCY      HCY '(11alpha,14beta)-11,17,21-trihydroxy' non-polymer        56  26 .
HCZ      HCZ '6-chloro-3,4-dihydro-2H-1,2,4-benzot' non-polymer        25  17 .
HDA      HDA 'HADACIDIN                           ' non-polymer        12   8 .
HDB      HDB '(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DI' non-polymer        34  18 .
HDC      HDC '3R-HYDROXYDECANOYL-COENZYME A       ' non-polymer       110  60 .
HDD      HDD 'CIS-HEME D HYDROXYCHLORIN GAMMA-SPIR' non-polymer        75  44 .
HDF      HDF '8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHY' non-polymer        43  26 .
HDI      HDI '3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-IS' non-polymer        30  17 .
HDL      HDL 'D-arabinohydroxamic acid            ' non-polymer        21  13 .
HDM      HDM 'DIMETHYL PROPIONATE ESTER HEME      ' non-polymer        81  45 .
HDN      HDN 'METHYLHYDRAZINE                     ' non-polymer         7   3 .
HDS      HDS '1-HEXADECANOSULFONIC ACID           ' non-polymer        54  20 .
HDT      HDT '4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRI' non-polymer        40  26 .
HDU      HDU 'N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-' non-polymer        33  20 .
HDY      HDY '1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYL' non-polymer        57  31 .
HDZ      HDZ 'NITROGEN MOLECULE                   ' non-polymer         2   2 .
HE1      HE1 '4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHO' non-polymer        29  16 .
HE2      HE2 'HEXAN-1-OL                          ' non-polymer        21   7 .
HE3      HE3 '2-HYDROXYETHYL DIHYDROTHIACHROME DIP' non-polymer        48  29 .
HE4      HE4 'HEPTAN-1-OL                         ' non-polymer        24   8 .
HE5      HE5 'ZINC(II)-DEUTEROPORPHYRIN DIMETHYLES' non-polymer        75  41 .
HE6      HE6 '6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHY' non-polymer        59  37 .
HE7      HE7 '"4-{[(14beta,17alpha)-3-hydroxyestra' non-polymer        54  27 .
HEA      HEA 'HEME-A                              ' non-polymer       114  60 .
HEB      HEB 'HEME B/C                            ' non-polymer        75  43 .
HEC      HEC 'HEME C                              ' non-polymer        75  43 .
HED      HED '2-HYDROXYETHYL DISULFIDE            ' non-polymer        18   8 .
HEE      HEE 'N-HEXYLPHOSPHONATE ETHYL ESTER      ' non-polymer        31  12 .
HEF      HEF '1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL' non-polymer        37  21 .
HEG      HEG 'PROTOPORPHYRIN IX CONTAINING MG     ' non-polymer        73  43 .
HEH      HEH 'HEDAMYCIN                           ' non-polymer       106  54 .
HEL      HEL '(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-' non-polymer        54  29 .
HEM      HEM 'PROTOPORPHYRIN IX CONTAINING FE     ' non-polymer        73  43 .
HEN      HEN '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        42  27 .
HEO      HEO 'HEME O                              ' non-polymer       115  59 .
HEP      HEP 'PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHO' non-polymer        44  23 .
HEQ      HEQ '"3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CY' non-polymer        96  42 .
HES      HES 'ZINC SUBSTITUTED HEME C             ' non-polymer        75  43 .
HET      HET '3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLP' non-polymer        64  34 .
HEU      HEU '3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5' DNA                38  23 .
HEV      HEV '5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPH' non-polymer        75  45 .
HEX      HEX 'HEXANE                              ' non-polymer        20   6 .
HEY      HEY '"(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PH' non-polymer        44  27 .
HEZ      HEZ 'HEXANE-1,6-DIOL                     ' non-polymer        22   8 .
HF1      HF1 '4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUT' non-polymer        29  17 .
HF2      HF2 '(2R)-2-hydroxy-3-phenylpropanoic aci' non-polymer        21  12 .
#HF3      HF3 'SMALLEST HF-OXO-PHOSPHATE CLUSTER HF' non-polymer        26  19 .
HF5      HF5 'HF OXO CLUSTER HF5                  ' non-polymer        38  26 .
HFA      HFA 'ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ' non-polymer        21  12 .
HFB      HFB 'hexafluorobenzene                   ' non-polymer        12  12 .
HFL      HFL '5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-B' non-polymer        27  15 .
HFM      HFM '2-FORMYL-PROTOPORPHRYN IX           ' non-polymer        73  43 .
HFP      HFP 'ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID' non-polymer        53  20 .
HFS      HFS '1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)' non-polymer        38  21 .
HFT      HFT 'HYDROXYFLUTAMIDE                    ' non-polymer        31  20 .
HFV      HFV 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        47  30 .
HFZ      HFZ '"6-(trifluoromethyl)-3,4-dihydro-2H-' non-polymer        28  20 .
HG2      HG2 'DIBROMOMERCURY                      ' non-polymer         3   3 .
HG9      HG9 '1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL' non-polymer        60  25 .
HGA      HGA 'GLUTAMINE HYDROXAMATE               ' non-polymer        20  11 .
HGB      HGB '4-(HYDROXYMERCURY)BENZOIC ACID      ' non-polymer        16  11 .
HG       HG  'MERCURY (II) ION                    ' non-polymer         1   1 .
HGG      HGG '.                                   ' non-polymer        94  57 .
HGI      HGI 'MERCURY (II) IODIDE                 ' non-polymer         3   3 .
HGL      HGL '(2S)-2-amino-4-(2-amino-6-oxo-1,6-di' peptide            29  18 .
HGP      HGP '(1-HEXADECANOYL-2-TETRADECANOYL-GLYC' non-polymer       124  48 .
HGS      HGS 'D-gamma-glutamyl-L-cysteinyl-beta-al' non-polymer        38  21 .
HGT      HGT '(2-((2R,3S,4R,5S,6S)-3-AMINO-4,5-DIH' non-polymer        39  19 .
HGU      HGU 'N-HYDROXYGUANIDINE                  ' non-polymer        10   5 .
HGX      HGX '1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYC' non-polymer       124  48 .
HH1      HH1 '"(3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(' non-polymer        87  46 .
HH2      HH2 '6-HYDROXYMETHYLPTERIN-DIPHOSPHATE   ' non-polymer        28  22 .
HH3      HH3 '(2S)-hydroxy[(phenylcarbonyl)amino]e' non-polymer        22  14 .
HHA      HHA '(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYA' non-polymer        19  11 .
HHG      HHG '(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPY' non-polymer        34  17 .
HHH      HHH '(2S)-hydroxy(4-hydroxyphenyl)ethanoi' non-polymer        19  12 .
HHI      HHI '(2Z)-3-(1H-imidazol-5-yl)-2-iminopro' non-polymer        17  11 .
HHK      HHK '(2S)-2,8-DIAMINOOCTANOIC ACID       ' peptide            29  12 .
HHO      HHO '1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-' non-polymer        33  12 .
HHR      HHR '6-HYDROXYMETHYLPTERIN               ' non-polymer        21  14 .
HHS      HHS '6-CARBOXYPTERIN                     ' non-polymer        19  15 .
HHV      HHV '5-[(pyridin-3-ylmethyl)amino]-1H-pyr' non-polymer        27  16 .
HI1      HI1 '"METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4' non-polymer        92  47 .
HI5      HI5 '2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOS' non-polymer        44  21 .
HI6      HI6 '4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDRO' non-polymer        37  21 .
HIA      HIA 'L-HISTIDINE AMIDE                   ' non-polymer        21  11 .
HIB      HIB '4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-MET' non-polymer        26  16 .
HIC      HIC '4-METHYL-HISTIDINE                  ' peptide            22  12 .
HIE      HIE '4-[6,6-dimethyl-4-oxo-3-(trifluorome' non-polymer        60  33 .
HIF      HIF 'FE(III)-(4-MESOPORPHYRINONE)        ' non-polymer        78  44 .
HII      HII '2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL' non-polymer        21  11 .
HIN      HIN '(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYL' non-polymer        43  22 .
HIO      HIO 'N-HYDROXY-N-ISOPROPYLOXAMIC ACID    ' non-polymer        18  10 .
HIP      HIP 'ND1-PHOSPHONOHISTIDINE              ' peptide            25  15 .
HIQ      HIQ '1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ET' peptide            31  17 .
HIS      HIS 'HISTIDINE                           ' peptide            18  10 .
HIT      HIT '2-(ALPHA-HYDROXYISOVALERYL) PROPIONI' non-polymer        25  12 .
HIU      HIU '(2R)-3-HYDROXY-2-METHYLPROPANOIC ACI' non-polymer        14   7 .
HIZ      HIZ '1-{4-[(1S)-1-amino-2-(benzyloxy)ethy' non-polymer        46  28 .
HJ2      HJ2 '"(2R)-2-[(R)-{[(6S)-6-amino-6-carbox' non-polymer        46  26 .
HJ3      HJ3 '"(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-6-' non-polymer        48  25 .
HJZ      HJZ '3-[2-(trans-4-methylcyclohexyl)pheny' non-polymer        50  27 .
HKL      HKL 'Fe(III) pyropheophorbide-a methyl es' non-polymer        76  42 .
HKV      HKV '4,5-DIOXOPENTANOIC ACID             ' non-polymer        14   9 .
HL2      HL2 '(2S,3R)-2-amino-3-hydroxy-4-methylpe' peptide            22  10 .
HL4      HL4 'N-[(3S)-2-oxotetrahydrofuran-3-yl]bu' non-polymer        25  12 .
HLE      HLE '3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC' non-polymer        28  13 .
HLO      HLO '1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHY' non-polymer        41  24 .
HLT      HLT '2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHA' non-polymer         8   7 .
HLU      HLU 'BETA-HYDROXYLEUCINE                 ' peptide            22  10 .
HLZ      HLZ '1-hydrazinophthalazine              ' non-polymer        20  12 .
HM2      HM2 '5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-' non-polymer        40  23 .
HM4      HM4 'TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMIN' non-polymer        38  22 .
HM5      HM5 '3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1' non-polymer        37  21 .
HMA      HMA 'HYDROXYAMINOALANINE                 ' non-polymer        15   7 .
HMB      HMB '(4S)-4-hydroxy-4-methoxybutanoic aci' non-polymer        18   9 .
HMC      HMC '5-HYDROXYMETHYL-CHONDURITOL         ' non-polymer        24  12 .
HMD      HMD '4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-' non-polymer        29  19 .
HME      HME 'PORPHYCENE CONTAINING FE            ' non-polymer        77  43 .
HMF      HMF '2-AMINO-4-PHENYL-BUTYRIC ACID       ' peptide            25  13 .
HMG      HMG '3-HYDROXY-3-METHYLGLUTARYL-COENZYME ' non-polymer        97  58 .
HMH      HMH '4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRI' non-polymer        19  10 .
HMI      HMI '2-HYDROXYCARBAMOYL-4-METHYL-PENTANOI' non-polymer        24  12 .
HMK      HMK '(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BE' non-polymer        34  22 .
HMM      HMM '5-HYDROXYMETHYL-2-METHYL-5,8-DIHYDRO' non-polymer        25  14 .
HMN      HMN '2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARB' non-polymer        41  21 .
HMO      HMO '4'-HYDROXY-7-METHOXYISOFLAVONE      ' non-polymer        32  20 .
HMR      HMR 'BETA-HOMOARGININE                   ' non-polymer        28  13 .
HMS      HMS '5-O-phosphono-L-ribulose            ' non-polymer        23  14 .
HMT      HMT '(3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(' non-polymer        78  39 .
HMU      HMU '5-HYDROXYMETHYL URACIL              ' non-polymer        16  10 .
HMY      HMY '(1aR,8S,13S,14S,15aR)-5,13,14-trihyd' non-polymer        49  27 .
HN2      HN2 '1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-' non-polymer        42  21 .
HN3      HN3 '1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8' non-polymer        45  22 .
HN4      HN4 '1-(4-tert-butylphenyl)-2-[(1S,2R,5R,' non-polymer        54  25 .
HN5      HN5 '(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butyl' non-polymer        55  24 .
HN6      HN6 '(1S,2R,5R,8R,8aR)-5-[2-(4-tert-butyl' non-polymer        55  24 .
HN7      HN7 '1-(4-tert-butylphenyl)-2-[(1S,2R,5S,' non-polymer        54  25 .
HNA      HNA '1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE' non-polymer        28  21 .
HNB      HNB '(2S,5R)-5-pentyltetrahydrofuran-2-ol' non-polymer        29  11 .
HNC      HNC 'S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)h' peptide            40  18 .
HND      HND '(4S)-nonane-1,4-diol                ' non-polymer        31  11 .
HNE      HNE '(2E,4R)-4-HYDROXYNON-2-ENAL         ' non-polymer        27  11 .
HNF      HNF '7-nitro-9H-fluoren-2-ol             ' non-polymer        26  17 .
HNI      HNI 'PROTOPORPHYRIN IX CONTAINING NI(II) ' non-polymer        73  43 .
HNL      HNL '5-[(2S)-1-methylpyrrolidin-2-yl]pyri' non-polymer        27  13 .
HNT      HNT '[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQ' non-polymer        27  15 .
HO2      HO2 '(9E,11E,13S)-13-hydroxyoctadeca-9,11' non-polymer        52  21 .
HO3      HO3 'HOLMIUM (III) ATOM                  ' non-polymer         1   1 .
HOA      HOA 'HYDROXYAMINE                        ' non-polymer         5   2 .
HOB      HOB '"BETA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-' non-polymer       108  46 .
HOC      HOC '(2S)-2-HYDROXYOCTANOIC ACID         ' non-polymer        26  11 .
HO       HO  'HOLMIUM ATOM                        ' non-polymer         1   1 .
HOE      HOE '2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-P' non-polymer        57  32 .
HOH      HOH 'WATER                               ' non-polymer         3   1 .
HOL      HOL '"ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY' DNA               107  47 .
HOM      HOM '7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHY' non-polymer        28  16 .
HOP      HOP '(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-P' non-polymer        54  28 .
HOQ      HOQ '"(1R)-2-(1-CARBOXY-2-HYDROXY-2-METHY' non-polymer        35  18 .
HOS      HOS 'Phomopsin A                         ' non-polymer        98  55 .
HOX      HOX '4-amino-L-phenylalanine             ' peptide            24  13 .
HOZ      HOZ '(4S)-4,5-DIAMINOPENTANOIC ACID      ' non-polymer        20   9 .
HP0      HP0 '"(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-h' non-polymer        54  25 .
HP1      HP1 'IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POL' non-polymer        88  48 .
HP2      HP2 'HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POL' non-polymer        89  48 .
HP6      HP6 'HEPTANE                             ' non-polymer        23   7 .
HP7      HP7 '"(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(' non-polymer        62  40 .
HP8      HP8 '5'-O-{[(2,3-dihydroxyphenyl)carbonyl' non-polymer        51  33 .
HPA      HPA 'HYPOXANTHINE                        ' non-polymer        14  10 .
HPD      HPD '1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHA' non-polymer        24  13 .
HPE      HPE 'HOMOPHENYLALANINE                   ' peptide            25  13 .
HPF      HPF '1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCERO' non-polymer        30  18 .
HPH      HPH 'PHENYLALANINDIOL                    ' non-polymer        25  12 .
HPI      HPI 'N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLAL' non-polymer        57  32 .
HPK      HPK '(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE ' non-polymer        25  16 .
HPL      HPL 'HEPTYLFORMAMIDE                     ' non-polymer        27  10 .
HPM      HPM 'N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDI' non-polymer        70  39 .
HPN      HPN 'HEPTANAMIDE                         ' non-polymer        24   9 .
HPO      HPO '2-OXOHEPTYLPHOSPHONIC ACID          ' non-polymer        27  12 .
HPP      HPP 'HYDROXYPHENYL PROPIONIC ACID        ' non-polymer        21  12 .
HPQ      HPQ 'HOMOPHENYLALANINYLMETHANE           ' non-polymer        28  13 .
HPR      HPR '6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOS' non-polymer        33  19 .
HPS      HPS 'PHENYL DIHYDROGEN PHOSPHATE         ' non-polymer        16  11 .
HPT      HPT '6-HYDROXYPROPYLTHYMINE              ' non-polymer        25  13 .
HPV      HPV '2-oxo-3-(phosphonooxy)propanoic acid' non-polymer        13  11 .
HPX      HPX '(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA' non-polymer        25  16 .
HPY      HPY '4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2' non-polymer        14   8 .
HPZ      HPZ '(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA' non-polymer        25  16 .
HQ6      HQ6 'N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy' non-polymer        34  16 .
HQA      HQA '3-(8-hydroxyquinolin-3-yl)-L-alanine' peptide            28  17 .
HQC      HQC '"3-{6-[(8-HYDROXY-QUINOLINE-2-CARBON' non-polymer        58  34 .
HQD      HQD '3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE' non-polymer        22  13 .
HQI      HQI 'N-(8-hydroxyquinolin-5-yl)acetamide ' non-polymer        25  15 .
HQL      HQL '4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL' non-polymer        55  28 .
HQO      HQO '2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE' non-polymer        40  19 .
HQP      HQP '4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-Y' non-polymer        45  28 .
HQQ      HQQ '5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMI' non-polymer        37  23 .
HQU      HQU '3-HYDROXYQUINALDIC ACID             ' non-polymer        20  14 .
HQY      HQY 'quinolin-8-ol                       ' non-polymer        18  11 .
HR1      HR1 '"(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISO' non-polymer        73  41 .
HR2      HR2 '"(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISO' non-polymer        72  38 .
HRB      HRB 'N-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-2-P' non-polymer        51  25 .
HRG      HRG 'L-HOMOARGININE                      ' peptide            28  13 .
HRI      HRI 'ALPHA-CHLOROISOCAPROIC ACID         ' non-polymer        19   9 .
HRM      HRM '7-METHOXY-1-METHYL-9H-BETA-CARBOLINE' non-polymer        28  16 .
HRP      HRP '5-HYDROXY-L-TRYPTOPHAN              ' peptide            27  16 .
HS1      HS1 '2-[[(2S)-2,3-dihydroxypropyl]-(4-met' non-polymer        38  22 .
HS2      HS2 '2-deoxy-4-O-(4-deoxy-alpha-L-threo-h' non-polymer        48  26 .
HS3      HS3 '(2R)-3-hydroxy-2-[(4-methoxyphenyl)s' non-polymer        31  19 .
HS4      HS4 'N-oxo-2-[(4-phenylphenyl)sulfonylami' non-polymer        33  21 .
HS5      HS5 '2-[(4-fluorophenyl)sulfonyl-(2-hydro' non-polymer        30  19 .
HS6      HS6 '2-[(4-fluorophenyl)sulfonylamino]-N-' non-polymer        23  16 .
HS7      HS7 'N-oxo-2-(phenylsulfonylamino)ethanam' non-polymer        23  15 .
HS8      HS8 '3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L' peptide            24  15 .
HS9      HS9 'N-ALPHA-METHYL-L-HISTIDINAMIDE      ' non-polymer        24  12 .
HSA      HSA 'PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-' non-polymer        24  14 .
HSD      HSD '(1S,2S,3R,6R)-6-amino-4-(hydroxymeth' non-polymer        25  12 .
HSE      HSE 'L-HOMOSERINE                        ' non-polymer        16   8 .
HSF      HSF '1-HEXADECYLSULFONYL FLUORIDE        ' non-polymer        53  20 .
HSG      HSG 'octyl alpha-L-altropyranoside       ' non-polymer        48  20 .
HSH      HSH 'octyl beta-D-galactopyranoside      ' non-polymer        48  20 .
HSI      HSI '(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]B' non-polymer        52  28 .
HSL      HSL 'HOMOSERINE LACTONE                  ' non-polymer        14   7 .
HSM      HSM 'HISTAMINE                           ' non-polymer        17   8 .
HSO      HSO 'HISTIDINOL                          ' non-polymer        20  10 .
HSP      HSP '4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHO' non-polymer        32  17 .
HSQ      HSQ '2-(acetylamino)-2-deoxy-alpha-L-idop' pyranose           30  15 .
HSS      HSS '5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADEN' non-polymer        54  33 .
HST      HST '4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-' non-polymer        44  20 .
HSW      HSW 'N-hydroxysulfamide                  ' non-polymer        10   6 .
HSX      HSX '5-O-phosphono-alpha-D-ribofuranose  ' non-polymer        23  14 .
HSY      HSY 'alpha-L-xylopyranose                ' pyranose           20  10 .
HT1      HT1 '2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PI' non-polymer        62  34 .
HT2      HT2 '5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-B' non-polymer        48  30 .
HT5      HT5 '(4S)-4-(decanoylamino)-5-hydroxy-3,4' non-polymer        46  18 .
HTA      HTA '"N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-M' non-polymer        56  27 .
HTC      HTC '3-{[(4-CARBOXY-2-HYDROXYANILINE]SULF' non-polymer        29  22 .
HT       HT  '2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-P' non-polymer        56  32 .
HTD      HTD '"2-[(9aR)-2,7-dimethyl-9a,10-dihydro' non-polymer        41  26 .
HTF      HTF 'N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAM' non-polymer        37  16 .
HTG      HTG 'HEPTYL 1-THIOHEXOPYRANOSIDE         ' non-polymer        45  19 .
HTI      HTI '(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SU' peptide            27  15 .
HTJ      HTJ '6-phenyl-1-(pyridin-4-ylmethyl)-1H-p' non-polymer        38  25 .
HTL      HTL '2-ACETYL-THIAMINE DIPHOSPHATE       ' non-polymer        47  29 .
HTM      HTM '"6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-5,' non-polymer        35  19 .
HTN      HTN '(3R)-3-hydroxy-N-methyl-D-asparagine' peptide            20  11 .
HTO      HTO 'HEPTANE-1,2,3-TRIOL                 ' non-polymer        26  10 .
HTP      HTP '4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5' non-polymer        26  14 .
HTQ      HTQ 'HOMOTROPINE                         ' non-polymer        41  20 .
HTR      HTR 'BETA-HYDROXYTRYPTOPHANE             ' peptide            27  16 .
HTS      HTS '2-MERCAPTOPHENOL                    ' non-polymer        14   8 .
HTX      HTX 'heptan-2-one                        ' non-polymer        22   8 .
HU1      HU1 '"TERT-BUTYL {(1S)-2-[(1R,2S,5S)-2-({' non-polymer        85  39 .
HU2      HU2 '"(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISO' non-polymer        96  45 .
HU4      HU4 '"TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({' non-polymer        86  40 .
HU5      HU5 '(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOB' non-polymer        82  37 .
HUB      HUB 'HUPERZINE B                         ' non-polymer        39  19 .
HUD      HUD '"TERT-BUTYL [(1S)-1-{[(1R,2S,5S)-2-(' non-polymer        78  36 .
HUP      HUP 'HUPERAINE A                         ' non-polymer        36  18 .
HUX      HUX '3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAH' non-polymer        40  21 .
HV1      HV1 '"METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4' non-polymer        91  48 .
HV7      HV7 '1-METHYLAMINE-2-HYDROXY-4-METHOXY-BE' non-polymer        22  11 .
HV8      HV8 'BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTA' non-polymer        48  25 .
HVA      HVA '3-hydroxy-L-valine                  ' peptide            19   9 .
HWD      HWD '2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-' non-polymer        22  14 .
HWG      HWG '"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-' non-polymer        57  29 .
HX0      HX0 'N,N,N-trioctyloctan-1-aminium       ' non-polymer       101  33 .
HXA      HXA 'DOCOSA-4,7,10,13,16,19-HEXAENOIC ACI' non-polymer        55  24 .
HXB      HXB '.                                   ' non-polymer        45  30 .
HXC      HXC 'HEXANOYL-COENZYME A                 ' non-polymer        97  55 .
HXD      HXD '(3R)-3-HYDROXYDODECANOIC ACID       ' non-polymer        38  15 .
HXH      HXH '(1S,2S,3R,6R)-6-[(4-phenoxybenzyl)am' non-polymer        45  24 .
HXL      HXL '2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)' non-polymer        46  28 .
HXP      HXP '3,6-DIHYDROXY-XANTHENE-9-PROPIONIC A' non-polymer        34  21 .
HXS      HXS '4-[(1R,2S)-1-ethyl-2-(4-hydroxypheny' non-polymer        42  20 .
HXX      HXX '3,6-dichloro-2-hydroxybenzoic acid  ' non-polymer        15  12 .
HXZ      HXZ '.                                   ' non-polymer        48  31 .
HY0      HY0 'HYGROMYCIN B VARIANT                ' non-polymer        73  36 .
HY1      HY1 'PHENYLACETALDEHYDE                  ' non-polymer        17   9 .
HY2      HY2 '2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-' non-polymer        83  44 .
HY3      HY3 '3-HYDROXYPROLINE                    ' non-polymer        17   9 .
HYA      HYA '2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACI' non-polymer        19  10 .
HYB      HYB '[2-(2-METHYL-PROPANE-2-SULFONYLMETHY' non-polymer        82  40 .
HYC      HYC 'O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ES' non-polymer       100  49 .
HYE      HYE '(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en' non-polymer        44  21 .
HYF      HYF '4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,' non-polymer        91  39 .
HYG      HYG 'HYGROMYCIN B                        ' non-polymer        73  36 .
HYI      HYI '"(2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDRO' non-polymer        32  17 .
HYM      HYM '(4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H' non-polymer        29  20 .
HYN      HYN 'imidazolidine-2,4-dione             ' non-polymer        11   7 .
HYP      HYP '4-HYDROXYPROLINE                    ' P-peptide          17   9 .
HYQ      HYQ 'REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAH' non-polymer        44  26 .
HYZ      HYZ 'N-[1-(3-fluorobenzyl)-1H-indazol-5-y' non-polymer        60  33 .
HZ1      HZ1 '.                                   ' non-polymer       144  67 .
HZ3      HZ3 '"dimethyl (1R,4S)-5,6-bis(4-hydroxyp' non-polymer        47  29 .
HZH      HZH '1,1,1-trifluoro-3-[(2-phenylethyl)su' non-polymer        27  16 .
HZP      HZP '(4S)-4-hydroxy-L-proline            ' P-peptide          17   9 .
I01      I01 '"(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOX' non-polymer        63  37 .
I02      I02 '3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYL' non-polymer        69  39 .
I03      I03 '"(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROP' non-polymer        71  39 .
I04      I04 'N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-' non-polymer        64  37 .
I05      I05 '(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-' non-polymer        64  36 .
I06      I06 '2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-' non-polymer        34  20 .
I08      I08 '(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6' non-polymer        64  36 .
I0G      I0G '(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2' non-polymer        39  21 .
I10      I10 '1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]A' non-polymer        65  34 .
I11      I11 '[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRI' non-polymer        68  32 .
I12      I12 'N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-' non-polymer        90  44 .
I15      I15 '5-[(5-fluoro-3-methyl-1H-indazol-4-y' non-polymer        31  22 .
I17      I17 '2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6' non-polymer        61  30 .
I19      I19 'N-(4-{[(3S)-3-(dimethylamino)pyrroli' non-polymer        63  33 .
I1H      I1H '3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-M' non-polymer        64  35 .
I1N      I1N '(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDR' non-polymer        22  12 .
I1P      I1P '2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPH' non-polymer        56  32 .
I20      I20 '"(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)' non-polymer        73  38 .
I21      I21 '2-[(5R)-5-amino-5-methyl-4,16-dioxo-' non-polymer        67  40 .
I22      I22 'D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE    ' non-polymer        31  18 .
I24      I24 '2-butoxy-9-(2,6-difluorobenzyl)-N-(2' non-polymer        60  32 .
I25      I25 '"(2R)-({4-[AMINO(IMINO)METHYL]PHENYL' non-polymer        64  31 .
I26      I26 '"(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]' non-polymer        64  32 .
I2C      I2C '"5'-O-[(S)-hydroxy{[2-hydroxy-3,5-di' non-polymer        58  36 .
I2H      I2H '5-[[(2R)-2-cyclopropyl-7,8-dimethoxy' non-polymer        50  26 .
I2M      I2M '3-methyl-L-alloisoleucine           ' peptide            24  10 .
I2P      I2P 'D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE   ' non-polymer        33  24 .
I38      I38 'N-(3-MERCAPTOPROPANOYL)-D-ALANINE   ' non-polymer        21  11 .
I39      I39 '[3-amino-2-(2-methylphenyl)-1-oxidop' non-polymer        39  25 .
I3A      I3A '1H-INDOLE-3-CARBALDEHYDE            ' non-polymer        18  11 .
I3C      I3C '5-amino-2,4,6-triiodobenzene-1,3-dic' non-polymer        18  16 .
I3N      I3N '1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL' non-polymer        41  23 .
I3P      I3P 'D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE   ' non-polymer        33  24 .
I3S      I3S '(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOS' non-polymer        33  24 .
I40      I40 '9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAH' non-polymer        42  23 .
I42      I42 'HYDROXY(DIOXIDO)OXOVANADIUM         ' non-polymer         6   5 .
I45      I45 '3-{3-bromo-4-[(2,4-difluorobenzyl)ox' non-polymer        49  30 .
I46      I46 '2-fluoro-4-[4-(4-fluorophenyl)-1H-py' non-polymer        28  19 .
I47      I47 '2-{4-[5-(4-chlorophenyl)-4-pyrimidin' non-polymer        48  28 .
I48      I48 'N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)' non-polymer        49  27 .
I4A      I4A '"5-(3-carbamoylbenzyl)-5,6,7,8,9,10-' non-polymer        48  27 .
I4B      I4B 'ISOBUTYLBENZENE                     ' non-polymer        24  10 .
I4P      I4P '(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSP' non-polymer        36  28 .
I50      I50 'N-[2-({[amino(imino)methyl]amino}oxy' non-polymer        51  30 .
I52      I52 'N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-P' non-polymer        82  40 .
I58      I58 '4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE  ' peptide            29  14 .
I59      I59 'HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ' non-polymer        27  16 .
I5A      I5A '5'-deoxy-5'-iodocytidine            ' non-polymer        29  17 .
I5P      I5P 'INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHA' non-polymer        39  32 .
I5S      I5S 'ISOQUINOLINE-5-SULFONIC ACID (2-(2-(' non-polymer        50  28 .
I6P      I6P 'INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHAT' non-polymer        42  36 .
I7A      I7A '4,5-DICHLOROBENZENE-1,3-DISULFONAMID' non-polymer        22  16 .
I7B      I7B '4-AMINO-6-CHLOROBENZENE-1,3-DISULFON' non-polymer        24  16 .
I7C      I7C '4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1' non-polymer        27  19 .
I7T      I7T '7-IODOTETRACYCLINE                  ' non-polymer        52  31 .
I84      I84 '[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMI' non-polymer        48  27 .
I96      I96 'N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLM' non-polymer        40  22 .
IAA      IAA '.                                   ' non-polymer        37  25 .
IAB      IAB 'ISO-ACARBOSE                        ' non-polymer        87  44 .
IAC      IAC '1H-INDOL-3-YLACETIC ACID            ' non-polymer        21  13 .
IA       IA  '2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPE' non-polymer        56  32 .
IAD      IAD 'N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACI' non-polymer        33  21 .
IAG      IAG 'N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID' non-polymer        28  17 .
IAM      IAM '4-[(ISOPROPYLAMINO)METHYL]PHENYLALAN' peptide            36  17 .
IAP      IAP '4-IODO-ACETAMIDO PHENYLBORONIC ACID ' non-polymer        23  14 .
IAR      IAR '(2E)-5-[(diaminomethylidene)amino]-2' non-polymer        23  12 .
IAV      IAV 'N-[1H-INDOL-3-YL-ACETYL]VALINE ACID ' non-polymer        37  20 .
IB2      IB2 'P1-P2-METHYLENE-P3-THIO-DIADENOSINE ' non-polymer        78  49 .
IBA      IBA '"4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYM' non-polymer        51  25 .
IBB      IBB '5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPH' non-polymer        50  30 .
IBC      IBC '3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEP' non-polymer        30  17 .
IB       IB  '2'-(3-IODO-4-METHOXYPHENYL)-5-(4-MET' non-polymer        60  34 .
IBD      IBD '2-amino-4-{2,4-dichloro-5-[2-(diethy' non-polymer        56  31 .
IBF      IBF '1,2,3,4,5-pentafluoro-6-iodobenzene ' non-polymer        12  12 .
IBG      IBG 'GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTE' non-polymer        48  28 .
IBI      IBI 'N-{trans-4-[4-(cyclopropylmethyl)pip' non-polymer        95  45 .
IBM      IBM '3-ISOBUTYL-1-METHYLXANTHINE         ' non-polymer        30  16 .
IBN      IBN '2-METHYLPROPAN-1-AMINE              ' non-polymer        16   5 .
IBO      IBO '2-METHYLPROPANAMIDE                 ' non-polymer        15   6 .
IBP      IBP 'IBUPROFEN                           ' non-polymer        32  15 .
IBR      IBR '.                                   ' non-polymer        28  16 .
IBS      IBS 'L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITO' non-polymer        43  29 .
IBU      IBU '2-methylpropyl hydrogen carbonate   ' non-polymer        18   8 .
IBZ      IBZ '2-IODOBENZYLTHIO GROUP              ' non-polymer        16   9 .
IC1      IC1 '3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLE' non-polymer        40  23 .
IC3      IC3 '[2-(5-amino-4-cyano-1H-pyrazol-1-yl)' non-polymer        28  21 .
IC8      IC8 '"2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5' non-polymer        49  30 .
ICA      ICA 'ISOCITRATE CALCIUM COMPLEX          ' non-polymer        18  14 .
ICC      ICC 'azepan-2-one                        ' non-polymer        19   8 .
IC       IC  'ISOCYTIDINE-5'-MONOPHOSPHATE        ' RNA                33  21 .
ICF      ICF '1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUO' non-polymer        12  10 .
I        I   'INOSINIC ACID                       ' RNA                34  23 .
ICJ      ICJ '(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1' non-polymer        86  34 .
ICL      ICL '"[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMO' non-polymer        47  24 .
ICN      ICN '(S)-2-HYDROXY-2,3-DIMETHYLBUTANENITR' non-polymer        19   8 .
ICO      ICO '1H-INDOLE-3-CARBOXYLIC ACID         ' non-polymer        18  12 .
ICP      ICP '2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-' non-polymer        16   9 .
ICR      ICR '"(4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-' non-polymer        33  22 .
ICT      ICT 'ISOCITRIC ACID                      ' non-polymer        18  13 .
ICU      ICU 'METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMIN' non-polymer        31  19 .
ICX      ICX '"methyl N-[(5Z)-6-({[4-(4-iodobenzyl' non-polymer        55  30 .
ID2      ID2 '5-IODODEOXYURIDINE                  ' non-polymer        28  17 .
ID5      ID5 '"[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3' non-polymer        37  28 .
IDA      IDA '(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDR' non-polymer        37  20 .
IDB      IDB '"3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHEN' non-polymer        46  34 .
IDC      IDC '5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-I' non-polymer        47  25 .
IDD      IDD '(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PH' non-polymer        36  20 .
IDE      IDE '(5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,' non-polymer        41  22 .
IDG      IDG 'O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDO' pyranose           26  12 .
IDH      IDH '(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMI' non-polymer        14   9 .
IDI      IDI '7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLI' non-polymer        21  11 .
IDM      IDM 'INDOLINE                            ' non-polymer        18   9 .
IDN      IDN '(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-' non-polymer        50  28 .
IDP      IDP 'INOSINE-5'-DIPHOSPHATE              ' non-polymer        38  27 .
IDR      IDR 'L-IDURONIC ACID                     ' pyranose           22  13 .
IDS      IDS 'O2-SULFO-GLUCURONIC ACID            ' pyranose           26  17 .
IDU      IDU '2-O-sulfo-beta-L-altropyranuronic ac' pyranose           26  17 .
IDX      IDX '2-O-sulfo-alpha-L-gulopyranuronic ac' pyranose           26  17 .
IDZ      IDZ '3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE' non-polymer        28  18 .
IEL      IEL 'N~6~-[(1Z)-ethanimidoyl]-L-lysine   ' peptide            29  13 .
IEM      IEM '5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-' non-polymer        37  19 .
IET      IET '1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLOR' non-polymer        35  23 .
IEY      IEY '2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-4-(' non-polymer        40  25 .
IFA      IFA '.                                   ' non-polymer        39  25 .
IFB      IFB 'N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOB' non-polymer        35  24 .
IFC      IFC 'N-[2-methyl-5-({[3-(4-methyl-1H-imid' non-polymer        52  34 .
IFG      IFG '(2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDR' non-polymer        30  14 .
IFL      IFL '(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYM' non-polymer        22  11 .
IFM      IFM '5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERID' non-polymer        23  10 .
IFP      IFP '2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYR' non-polymer        16  12 .
IFS      IFS 'bis(1-methylethyl) [2-(sulfanylmethy' non-polymer        39  18 .
IGC      IGC 'N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPY' non-polymer       144  63 .
IG       IG  'ISOGUANOSINE-5'-MONOPHOSPHATE       ' RNA                36  24 .
IGL      IGL 'ALPHA-AMINO-2-INDANACETIC ACID      ' peptide            26  14 .
IGN      IGN '"{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO' non-polymer        68  31 .
IGP      IGP 'INDOLE-3-GLYCEROL PHOSPHATE         ' non-polymer        31  19 .
IGU      IGU '2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE ' DNA                35  23 .
IH1      IH1 '"2-[2-(4-BROMO-BENZENESULFONYL)-ETHY' non-polymer        65  36 .
IH2      IH2 '"2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3' non-polymer        75  39 .
IH3      IH3 '"2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3' non-polymer        76  41 .
IH4      IH4 'N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHE' non-polymer        88  44 .
IH5      IH5 '[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,' non-polymer        38  23 .
IH6      IH6 '(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SUL' non-polymer        48  26 .
IHB      IHB '3-IODO-4-HYDROXYBENZOIC ACID        ' non-polymer        15  11 .
IHD      IHD '1-IODOHEXADECANE                    ' non-polymer        50  17 .
IHE      IHE '6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPI' non-polymer        55  27 .
IHG      IHG 'N-ISOPROPYL-N'-HYDROXYGUANIDINE     ' non-polymer        19   8 .
IHH      IHH '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        48  29 .
IHI      IHI '9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-' non-polymer        56  32 .
IHJ      IHJ '9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPE' non-polymer        66  34 .
IHN      IHN 'N-(3-methylbutanoyl)-L-valyl-N-[(1R,' non-polymer       110  48 .
IHP      IHP 'INOSITOL HEXAKISPHOSPHATE           ' non-polymer        42  36 .
IHS      IHS 'D-MYO-INOSITOL-HEXASULPHATE         ' non-polymer        48  36 .
IHU      IHU 'N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-H' non-polymer        35  23 .
IHX      IHX '3-[3-(4-methylpiperazin-1-yl)-7-(tri' non-polymer        47  28 .
IHZ      IHZ '5-[(2-methyl-5-{[3-(trifluoromethyl)' non-polymer        47  30 .
II2      II2 '5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANY' non-polymer        41  26 .
II4      II4 '1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5' non-polymer        30  17 .
IIA      IIA '1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3' non-polymer        60  33 .
IIB      IIB '1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3' non-polymer        64  36 .
IIC      IIC '4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CH' non-polymer        34  20 .
IID      IID 'N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-M' non-polymer        61  30 .
IIE      IIE '1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOET' non-polymer        61  32 .
IIG      IIG 'N-cyclopropyl-N-(cis-4-cyclopropyl-4' non-polymer        57  29 .
IIL      IIL 'ISO-ISOLEUCINE                      ' peptide            21   9 .
IIN      IIN '2-METHYL-3-AMINO-3-PHENYLISOINDOL-1-' non-polymer        32  18 .
IIP      IIP 'IMIDAZOLE-PYRROLE POLYAMIDE         ' non-polymer        88  47 .
IK2      IK2 '4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5' non-polymer        33  21 .
IK8      IK8 '"1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N' non-polymer        58  38 .
IKR      IKR '"methyl (2E)-{2-[(4-iodo-2,5-dimethy' non-polymer        45  25 .
IKT      IKT '3-(1-AMINOETHYL)NONANEDIOIC ACID    ' non-polymer        35  16 .
ILA      ILA 'N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMIN' non-polymer        57  31 .
ILB      ILB '.                                   ' non-polymer        43  30 .
ILC      ILC '.                                   ' non-polymer        39  26 .
ILE      ILE 'ISOLEUCINE                          ' peptide            19   8 .
ILF      ILF '.                                   ' non-polymer        39  30 .
ILG      ILG 'GLUTAMYL GROUP                      ' peptide            18   9 .
ILH      ILH '.                                   ' non-polymer        41  32 .
ILI      ILI 'N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-' non-polymer        70  38 .
ILO      ILO 'N5-IMINOETHYL-L-ORNITHINE           ' non-polymer        26  12 .
ILP      ILP 'N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE' non-polymer        44  24 .
ILT      ILT 'MONOIMIDAZOLE LEXITROPSIN           ' non-polymer        58  31 .
ILX      ILX '4,5-DIHYDROXYISOLEUCINE             ' peptide            23  11 .
IM1      IM1 '.                                   ' non-polymer        81  39 .
IM2      IM2 '"3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL' non-polymer        38  20 .
IM3      IM3 '(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINO' non-polymer        22  14 .
IM4      IM4 '(2E)-1-[(6-chloropyridin-3-yl)methyl' non-polymer        27  17 .
IM8      IM8 '2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-M' non-polymer        55  30 .
IM9      IM9 '2-{4-[4-({4-[2-methyl-1-(1-methyleth' non-polymer        61  32 .
IMA      IMA '[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL' non-polymer        77  41 .
IMB      IMB '[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-M' non-polymer        32  20 .
IMC      IMC '"N1-[2-DEOXY-RIBOFURANOSYL]-[2-AMINO' DNA                35  21 .
IMD      IMD 'IMIDAZOLE                           ' non-polymer        10   5 .
IME      IME 'TETRA(IMIDAZOLE)DIAQUACOPPER (II)   ' non-polymer        37  23 .
#IMF      IMF 'TETRA(IMIDAZOLE)DIAQUACOPPER (I)    ' non-polymer        43  23 .
IMG      IMG '1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZA' non-polymer        35  20 .
IMH      IMH '1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPO' non-polymer        33  19 .
IMI      IMI '2-IMINOBIOTIN                       ' non-polymer        32  16 .
IMJ      IMJ '(2E)-N-[(1,2-dimethyl-1H-indol-3-yl)' non-polymer        53  29 .
IMK      IMK '2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1' pyranose           39  21 .
IML      IML 'N-METHYL-ISOLEUCINE                 ' M-peptide          24  10 .
IMM      IMM '1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL' non-polymer        40  25 .
IMN      IMN 'INDOMETHACIN                        ' non-polymer        40  25 .
IMO      IMO '6-O-PHOSPHORYL INOSINE MONOPHOSPHATE' non-polymer        37  27 .
IMP      IMP 'INOSINIC ACID                       ' non-polymer        34  23 .
IMQ      IMQ '(2R,3R,4S)-2-(hydroxymethyl)-1-(quin' non-polymer        38  20 .
IMR      IMR 'IMINORIBITOL                        ' non-polymer        20   9 .
IMS      IMS '2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-M' non-polymer        55  30 .
IMT      IMT '4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOX' non-polymer        16  10 .
IMU      IMU '"PHOSPHORIC ACID MONO-[5-(2-AMINO-4-' non-polymer        38  24 .
IMX      IMX '"[(1R,2R)-2-{[(5-fluoro-1H-indol-2-y' non-polymer        42  26 .
IMY      IMY '1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISO' non-polymer        71  39 .
IMZ      IMZ 'CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ET' non-polymer        75  41 .
IN0      IN0 '"N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHY' non-polymer        69  40 .
IN1      IN1 'PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GL' non-polymer        47  23 .
IN2      IN2 'N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSIN' non-polymer        33  15 .
IN3      IN3 '1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5' non-polymer        73  40 .
IN4      IN4 '"+/-METHYL 4-(AMINOIMINOMETHYL)-BETA' non-polymer        50  26 .
IN5      IN5 '"{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOX' non-polymer        38  22 .
IN6      IN6 '"N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-' non-polymer        82  43 .
IN7      IN7 '[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENE' non-polymer        47  26 .
IN8      IN8 '"[2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-' non-polymer        46  28 .
IN9      IN9 '2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2' non-polymer        37  27 .
INA      INA '1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCIN' non-polymer        82  42 .
INB      INB '1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-G' non-polymer        88  35 .
INC      INC '2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PE' non-polymer        31  14 .
IN       IN  'INDIUM (III) ION                    ' non-polymer         1   1 .
IND      IND 'INDOLE                              ' non-polymer        16   9 .
INE      INE '3-BROMO-7-NITROINDAZOLE             ' non-polymer        17  13 .
INF      INF 'D-[(N-HYDROXYAMINO)CARBONYL]PHENYLAL' non-polymer        27  16 .
ING      ING 'D-[(AMINO)CARBONYL]PHENYLALANINE    ' non-polymer        26  15 .
INH      INH 'N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHE' non-polymer        69  35 .
INI      INI '5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-P' non-polymer        35  21 .
INJ      INJ '5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYR' non-polymer        53  27 .
INK      INK '(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-M' non-polymer        32  16 .
INL      INL '6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN' non-polymer        51  30 .
INM      INM '"4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-' non-polymer        36  21 .
INN      INN '"3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)M' non-polymer        66  29 .
INO      INO '2-HYDROXYISONICOTINIC ACID N-OXIDE  ' non-polymer        15  11 .
INP      INP '4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/' non-polymer        85  42 .
INQ      INQ '6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN' non-polymer        48  29 .
INR      INR '.                                   ' non-polymer        34  24 .
INS      INS '1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE ' non-polymer        24  12 .
INU      INU 'N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHY' non-polymer        63  34 .
INV      INV '4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL' non-polymer        34  21 .
INW      INW '4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPH' non-polymer        34  22 .
INX      INX '"2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)' non-polymer        77  43 .
INZ      INZ '"2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-P' non-polymer        69  39 .
IOA      IOA '4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPH' non-polymer        34  22 .
IOB      IOB '3-IODO-BENZYL ALCOHOL               ' non-polymer        16   9 .
IOC      IOC '4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOR' non-polymer        34  23 .
IOD      IOD 'IODIDE ION                          ' non-polymer         1   1 .
IOE      IOE '4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOR' non-polymer        34  23 .
IOF      IOF '4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOR' non-polymer        34  23 .
IOG      IOG 'N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYL' non-polymer        78  39 .
IOK      IOK 'N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYL' non-polymer        56  30 .
IOL      IOL '4-IODOPHENOL                        ' non-polymer        13   8 .
IOM      IOM '(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ' non-polymer        19   9 .
ION      ION 'ARISTOLOCHENE                       ' non-polymer        39  15 .
IOP      IOP 'INDOLYLPROPIONIC ACID               ' non-polymer        24  14 .
IOS      IOS '3-SULFOOXY-1H-INDOLE                ' non-polymer        21  14 .
IOT      IOT '.                                   ' non-polymer        64  38 .
IOY      IOY 'P-IODO-D-PHENYLALANINE              ' peptide            22  13 .
IP0      IP0 '2-(1-methylethyl)phenol             ' non-polymer        22  10 .
IP1      IP1 'ISOPENICILLIN N                     ' non-polymer        43  24 .
IP2      IP2 'D-MYO-INOSITOL-4,5-BISPHOSPHATE     ' non-polymer        30  20 .
IP3      IP3 '1-HYDROXY-3-METHYLBUTANE            ' non-polymer        18   6 .
IP4      IP4 '1-METHYL-2-OXY-5,5-DIMETHYL PYRROLID' non-polymer        22   9 .
IP5      IP5 '"(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOH' non-polymer        39  32 .
IP6      IP6 'N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDI' non-polymer        42  24 .
IP7      IP7 'N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2' non-polymer        55  32 .
IP8      IP8 'Isopentenyl phosphate               ' non-polymer        19  10 .
IP9      IP9 '"(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-' non-polymer        94  51 .
IPA      IPA 'ISOPROPYL ALCOHOL                   ' non-polymer        12   4 .
IPB      IPB '5-METHYL-2-(1-METHYLETHYL)PHENOL    ' non-polymer        25  11 .
IPC      IPC '3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-' non-polymer        47  27 .
IPD      IPD 'D-MYO-INOSITOL-1-PHOSPHATE          ' non-polymer        27  16 .
IPE      IPE '3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHO' non-polymer        23  14 .
IPF      IPF 'N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACE' non-polymer       130  66 .
IPG      IPG 'N-ISOPROPYL GLYCINE                 ' M-peptide          18   8 .
IPH      IPH 'PHENOL                              ' non-polymer        13   7 .
IPK      IPK '2-({4-[(4-benzylpiperidin-1-yl)carbo' non-polymer        58  32 .
IPL      IPL 'INDOLE-3-PROPANOL PHOSPHATE         ' non-polymer        29  17 .
IPM      IPM '3-ISOPROPYLMALIC ACID               ' non-polymer        22  12 .
IPN      IPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        33  20 .
IPO      IPO 'PARA-IODO-D-PHENYLALANINE HYDROXAMIC' non-polymer        25  14 .
IPP      IPP '(P-IODOPHENYLACETYLAMINO)METHYLPHOSP' non-polymer        26  15 .
IPR      IPR 'ISOPENTYL PYROPHOSPHATE             ' non-polymer        25  14 .
IPT      IPT 'ISOPROPYL-1-BETA-D-THIOGALACTOSIDE  ' pyranose           33  15 .
IPU      IPU 'S-ISOPROPYL-ISOTHIOUREA             ' non-polymer        17   7 .
IPX      IPX '"4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2' non-polymer        48  28 .
IPY      IPY 'IMIDAZOLE-PYRROLE POLYAMIDE         ' non-polymer        89  47 .
IPZ      IPZ '2-ISOPROPYL-3-METHOXYPYRAZINE       ' non-polymer        23  11 .
IQA      IQA '(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUIN' non-polymer        33  22 .
IQB      IQB 'N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-' non-polymer        47  27 .
IQO      IQO '1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]q' non-polymer        71  42 .
IQP      IQP '1-(5-ISOQUINOLINESULFONYL)-2-METHYLP' non-polymer        37  20 .
IQS      IQS 'N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOL' non-polymer        33  18 .
IQU      IQU 'N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFO' non-polymer        30  17 .
IQX      IQX 'N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-' non-polymer        44  28 .
IQZ      IQZ '(12bS)-1,2,3,4,12,12b-hexahydroindol' non-polymer        34  18 .
IR3      IR3 'IRIDIUM (III) ION                   ' non-polymer         1   1 .
IRB      IRB '.                                   ' non-polymer        34  25 .
IR       IR  'IRIDIUM ION                         ' non-polymer         1   1 .
IRE      IRE '3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-' non-polymer        55  31 .
IRF      IRF '1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO' non-polymer        44  27 .
IRI      IRI 'IRIDIUM HEXAMMINE ION               ' non-polymer        25   7 .
IRN      IRN '1-(5-O-phosphono-beta-D-ribofuranosy' non-polymer        29  18 .
IRP      IRP '(1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DI' non-polymer        36  23 .
IS1      IS1 '3-[(1E)-3-oxo-3-({4-[1-(phenylcarbon' non-polymer        76  38 .
IS2      IS2 '[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPH' non-polymer        27  15 .
IS3      IS3 'Isopentenyl Diphosphate Beta-S      ' non-polymer        27  14 .
ISA      ISA '3-(4-IODO-PHENYL)-2-MERCAPTO-PROPION' non-polymer        21  13 .
ISC      ISC 'ISOCHORISMATE                       ' non-polymer        24  16 .
ISD      ISD '(5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4' non-polymer        20  12 .
ISE      ISE '(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydr' non-polymer        22  12 .
ISF      ISF '.                                   ' non-polymer        29  19 .
ISH      ISH '(7R)-7-[(dimethylamino)methyl]-1-[3-' non-polymer        50  23 .
ISI      ISI '(7S)-7-[(dimethylamino)methyl]-1-[3-' non-polymer        50  23 .
ISM      ISM '5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZ' non-polymer        25  15 .
ISN      ISN 'ISATIN                              ' non-polymer        16  11 .
ISO      ISO 'PARA-ISOPROPYLANILINE               ' non-polymer        23  10 .
ISP      ISP 'PHOSPHORYLISOPROPANE                ' non-polymer        15   8 .
ISQ      ISQ 'ISOQUINOLINE                        ' non-polymer        17  10 .
ISS      ISS '(2E)-3-[(4-hydroxy-2-oxobutyl)amino]' non-polymer        22  11 .
IST      IST 'ISOSTATINE                          ' non-polymer        28  12 .
ISU      ISU 'SE-ETHYL-ISOSELENOUREA              ' non-polymer        14   6 .
ISX      ISX 'GLUCOSE BETA-1,3-ISOFAGAMINE        ' non-polymer        44  21 .
ISZ      ISZ '4-(DIAZENYLCARBONYL)PYRIDINE        ' non-polymer        15  10 .
IT1      IT1 '"(E)-N~6~-({3-hydroxy-2-methyl-5-[(p' peptide            44  25 .
ITA      ITA '"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-D' non-polymer        36  27 .
ITB      ITB '"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRO' non-polymer        30  23 .
ITD      ITD '.                                   ' non-polymer        61  27 .
ITL      ITL '"(3alpha,5alpha,8alpha)-3-[(N,N-bis{' non-polymer       118  58 .
ITM      ITM 'ISOCITRIC ACID-MAGNESIUM COMPLEX    ' non-polymer        18  14 .
ITP      ITP 'PHOSPHORIC ACID MONO-(2,3,4,6-TETRAH' non-polymer        30  20 .
ITR      ITR 'IMINO-TRYPTOPHAN                    ' non-polymer        24  15 .
ITT      ITT '.                                   ' non-polymer        42  31 .
ITU      ITU 'ETHYLISOTHIOUREA                    ' non-polymer        14   6 .
IU5      IU5 'ISO-URSODEOXYCHOLIC ACID            ' non-polymer        67  28 .
IU       IU  '5-IODOURIDINE-5'-MONOPHOSPHATE      ' RNA                32  22 .
IUM      IUM 'URANYL (VI) ION                     ' non-polymer         3   3 .
IUR      IUR '5-IODOURACIL                        ' non-polymer        12   9 .
IVA      IVA 'ISOVALERIC ACID                     ' non-polymer        16   7 .
IVK      IVK '"(3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FL' non-polymer        58  37 .
IVS      IVS '"3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3' non-polymer        81  34 .
IW1      IW1 '2,6-dibromo-4-[(E)-2-(2,6-dichloroph' non-polymer        27  19 .
IW2      IW2 '2,6-dibromo-4-[2-(2,6-dichlorophenyl' non-polymer        29  19 .
IW3      IW3 '4-[(E)-2-(4-aminophenyl)ethenyl]-2,6' non-polymer        29  18 .
IW4      IW4 '4-[(E)-2-(3-aminophenyl)ethenyl]-2,6' non-polymer        30  18 .
IW5      IW5 '4-[(E)-2-(4-aminophenyl)ethenyl]-2,6' non-polymer        30  18 .
IW6      IW6 '2,6-dibromo-4-[(E)-2-(2,6-dimethoxyp' non-polymer        36  21 .
IWD      IWD '2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHY' non-polymer        22  15 .
IX1      IX1 '"5-(3-{3-[3-HYDROXY-2-(METHOXYCARBON' non-polymer        49  31 .
IX6      IX6 '"(11S)-10-[(2,5-dimethyl-1,3-oxazol-' non-polymer        73  41 .
IXD      IXD '4-deoxy-2-O-sulfo-beta-D-erythro-hex' non-polymer        23  16 .
IXH      IXH '8-(2,3-dihydro-1H-inden-5-yl)-2-({4-' non-polymer        69  38 .
IXM      IXM '(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'' non-polymer        32  21 .
IXN      IXN '"2-(4-dodecyl-1H-1,2,3-triazol-1-yl)' non-polymer        92  49 .
IXS      IXS '"N-[(1S)-1-benzyl-2-{[(1S)-2-(isobut' non-polymer        90  46 .
IXX      IXX '3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-D' non-polymer        45  21 .
IYG      IYG 'N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYC' non-polymer        35  22 .
IYR      IYR '3-IODO-TYROSINE                     ' peptide            23  14 .
IYT      IYT 'N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-T' non-polymer        42  25 .
IYX      IYX '1-[5-(3,4-dimethoxyphenyl)-1-benzoth' non-polymer        40  22 .
IYZ      IYZ '1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IM' non-polymer        41  23 .
IZ1      IZ1 'N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxo' non-polymer        64  41 .
IZ2      IZ2 'N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl' non-polymer        67  42 .
IZ3      IZ3 '3-fluoro-N-[(1S)-1-[4-[(2-fluorophen' non-polymer        62  40 .
IZ4      IZ4 'N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxo' non-polymer        69  40 .
IZ5      IZ5 'N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxo' non-polymer        70  41 .
IZA      IZA '2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H' non-polymer        39  23 .
IZB      IZB 'N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{' non-polymer        67  40 .
IZC      IZC '2H-IMIDAZOL-4-YLACETIC ACID         ' non-polymer        14   9 .
IZD      IZD 'ISOTHIAZOLIDINONE ANALOG            ' non-polymer        60  34 .
IZE      IZE 'N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXO' non-polymer        52  36 .
IZF      IZF '"METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1' non-polymer        81  47 .
IZX      IZX '1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxad' non-polymer        51  31 .
IZZ      IZZ '(2S)-2-{[3-(3-aminophenyl)imidazo[1,' non-polymer        44  23 .
J01      J01 '"(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-' non-polymer        22  14 .
J07      J07 '4-{[5-chloro-4-(1H-indol-3-yl)pyrimi' non-polymer        51  28 .
J0Z      J0Z 'benzyl acetate                      ' non-polymer        21  11 .
J11      J11 '"N-{(3R,4S)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
J12      J12 'N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1' non-polymer        86  43 .
J14      J14 '"N-{(3S,4R)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
J15      J15 'N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1' non-polymer        74  37 .
J1Z      J1Z 'thieno[3,2-b]thiophene              ' non-polymer        12   8 .
J2Z      J2Z '(9beta,13alpha,16beta)-3,16-dihydrox' non-polymer        43  21 .
J3Z      J3Z '(9beta,13alpha)-3-hydroxyestra-1,3,5' non-polymer        42  20 .
J43      J43 '4-{[6-chloro-5-formyl-2-(methylsulfa' non-polymer        33  22 .
J45      J45 '4-[(6-chloro-5-nitropyrimidin-4-yl)a' non-polymer        29  21 .
J4Z      J4Z 'N-anthracen-2-yl-5-methyl[1,2,4]tria' non-polymer        40  25 .
J54      J54 '(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO' non-polymer        30  17 .
J5Z      J5Z '5-methyl-N-[4-(trifluoromethyl)pheny' non-polymer        31  21 .
J60      J60 '5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3' non-polymer        56  29 .
J67      J67 '"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxi' non-polymer        51  32 .
J6Z      J6Z '(2R)-butane-2-sulfonate             ' non-polymer        17   8 .
J71      J71 '4-{[(6-methoxy-5-nitropyrimidin-4-yl' non-polymer        36  23 .
J72      J72 '"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-b' non-polymer        37  25 .
J75      J75 '4-({[6-(benzylamino)-5-nitropyrimidi' non-polymer        47  29 .
J77      J77 '(METHYLPYRIDAZINE PIPERIDINE ETHYLOX' non-polymer        54  27 .
J78      J78 '(METHYLPYRIDAZINE PIPERIDINE PROPYLO' non-polymer        57  28 .
J7Z      J7Z '"(2S)-3-[(6-O-alpha-D-galactopyranos' non-polymer       148  68 .
J80      J80 '(METHYLPYRIDAZINE PIPERIDINE BUTYLOX' non-polymer        60  29 .
J88      J88 '"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxi' non-polymer        47  30 .
J8Z      J8Z '"(2R)-2-[(1-benzothiophen-2-ylcarbon' non-polymer        45  27 .
J90      J90 '4-{[(5-nitro-6-oxo-1,6-dihydropyrimi' non-polymer        33  22 .
J9Z      J9Z '(2R)-2-[(1-benzothiophen-2-ylcarbony' non-polymer        42  26 .
JAN      JAN '6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHY' non-polymer        56  34 .
JAR      JAR '6-[(3S,4S)-1-benzyl-4-methylpyrrolid' non-polymer        51  26 .
JAS      JAS 'JASPISAMIDE A                       ' non-polymer       125  61 .
JB1      JB1 '(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1' non-polymer        77  31 .
JC1      JC1 '(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1' non-polymer        77  31 .
JCB      JCB 'N-(P-TOLUENESULFONYL)-INDOLE        ' non-polymer        32  19 .
JCL      JCL '4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAH' non-polymer        28  18 .
JDR      JDR '4-({[6-chloro-5-formyl-2-(methylsulf' non-polymer        36  23 .
JE2      JE2 '(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydr' non-polymer        78  41 .
JEF      JEF '.                                   ' non-polymer       104  41 .
JEN      JEN '3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PI' non-polymer        41  21 .
JFD      JFD '6-amino-5-bromo-1,2,3,4-tetrahydropy' non-polymer        14  10 .
JGZ      JGZ '4-(4-{[4-(4-cyano-2,6-dimethylphenox' non-polymer        60  34 .
JH0      JH0 '.                                   ' non-polymer       159  74 .
JH3      JH3 'methyl (2E,6E)-9-[(2R)-3,3-dimethylo' non-polymer        45  19 .
JHM      JHM '2-deoxy-6-O-sulfo-alpha-D-arabino-he' non-polymer        27  15 .
JHZ      JHZ '.                                   ' non-polymer        60  35 .
JI1      JI1 '3-({(3S,4S)-4-[(6-aminopyridin-2-yl)' non-polymer        40  18 .
JI2      JI2 'N-{(3S,4S)-4-[(6-aminopyridin-2-yl)m' non-polymer        38  17 .
JI3      JI3 '"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRI' non-polymer        54  26 .
JI4      JI4 '"N-{(3S,4S)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
JI5      JI5 '"N-{(3R,4R)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
JI7      JI7 '"N-{(3R,4S)-4-[(6-amino-4-methylpyri' non-polymer        54  26 .
JIM      JIM '(2R)-2,3-dihydroxypropyl acetate    ' non-polymer        19   9 .
JIN      JIN '6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-' non-polymer        44  29 .
JJ3      JJ3 '(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(' non-polymer        46  24 .
JJZ      JJZ '4-[2-(anthracen-9-ylmethylidene)hydr' non-polymer        51  31 .
JK1      JK1 '3-{4-[(phenylcarbamoyl)amino]-1H-pyr' non-polymer        61  36 .
JK2      JK2 '3-{5-[(2-fluorophenyl)amino]-1H-inda' non-polymer        63  38 .
JK3      JK3 '5-bromo-N-(3-chloro-2-(4-(prop-2-yny' non-polymer        42  25 .
JKZ      JKZ '4-(trifluoromethyl)-1,5,6,7-tetrahyd' non-polymer        22  14 .
JLZ      JLZ '3-fluoro-4-methylbenzenecarboximidam' non-polymer        20  11 .
JM1      JM1 'FLOURINATED PYRIDOCARBAZOLE CYCLOPEN' non-polymer        43  31 .
JM2      JM2 'N~5~-[2-(methylsulfanyl)ethanimidoyl' non-polymer        30  14 .
JM4      JM4 'N~5~-{3-[(1-methylethyl)sulfanyl]pro' non-polymer        39  17 .
JM5      JM5 'N~5~-[2-(propylsulfanyl)ethanimidoyl' non-polymer        36  16 .
JM6      JM6 'N~5~-[4-(methylsulfanyl)butanimidoyl' non-polymer        36  16 .
JM7      JM7 'N~5~-[2-(ethylsulfanyl)ethanimidoyl]' non-polymer        33  15 .
JM8      JM8 'N~5~-[(3-(ethylsulfanyl)propanimidoy' non-polymer        36  16 .
JMQ      JMQ '(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-h' non-polymer        36  20 .
JN3      JN3 'CHENODEOXYCHOLIC ACID               ' non-polymer        67  28 .
JN5      JN5 '(2S)-1,3-benzothiazol-2-yl{2-[(2-pyr' non-polymer        43  27 .
JNF      JNF 'N-cyclohexyl-4-imidazo[1,2-a]pyridin' non-polymer        44  23 .
JNH      JNH '1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPI' non-polymer        49  24 .
JNJ      JNJ '1-(3-amino-1,2-benzisoxazol-5-yl)-6-' non-polymer        61  39 .
JNK      JNK '"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-' non-polymer        56  31 .
JNO      JNO '2-{4-[(4-imidazo[1,2-a]pyridin-3-ylp' non-polymer        50  27 .
JOS      JOS '.                                   ' non-polymer       127  58 .
JP1      JP1 'N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHE' non-polymer        41  25 .
JPA      JPA '4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIP' non-polymer        37  23 .
JPC      JPC '3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)A' non-polymer        44  28 .
JPJ      JPJ '2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLE' non-polymer        40  24 .
JPL      JPL '5-(cyclohexa-1,5-dien-1-ylmethyl)-2-' non-polymer        39  23 .
JPM      JPM '5-benzyl-2-(2,4-dichlorophenoxy)phen' non-polymer        37  23 .
JPN      JPN '2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLP' non-polymer        43  25 .
JPR      JPR '1-(3-chloro-4-methylphenyl)-3-{2-[({' non-polymer        49  25 .
JQ1      JQ1 '(6S)-6-(2-tert-butoxy-2-oxoethyl)-4-' non-polymer        57  31 .
JRR      JRR '6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JRS      JRS '6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JRZ      JRZ '(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-' non-polymer        47  20 .
JS4      JS4 '.                                   ' non-polymer       106  49 .
JS5      JS5 '.                                   ' non-polymer       113  52 .
JS7      JS7 '4-{2-[(6-methoxy-5-nitropyrimidin-4-' non-polymer        39  24 .
JSR      JSR '6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JSS      JSS '6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JST      JST 'BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-' non-polymer        32  18 .
JSZ      JSZ '"ethyl 4-({(2S)-2-hydroxy-3-[(1-meth' non-polymer        49  24 .
JT5      JT5 'N~2~-(biphenyl-4-ylsulfonyl)-N-hydro' non-polymer        42  24 .
JT6      JT6 '3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hyd' non-polymer        35  21 .
JTH      JTH '2,7-dihydroxy-4-(propan-2-yl)cyclohe' non-polymer        25  13 .
JTP      JTP 'N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[' non-polymer        62  33 .
JTZ      JTZ '(2S)-1-[(1-methylethyl)amino]-3-(2-p' non-polymer        41  18 .
JU2      JU2 '2-amino-6-bromo-4-oxo-4,7-dihydro-3H' non-polymer        18  14 .
JUG      JUG '5-hydroxynaphthalene-1,4-dione      ' non-polymer        19  13 .
JW5      JW5 '.                                   ' non-polymer        36  23 .
JY       JY  '3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CY' non-polymer        68  30 .
JZ0      JZ0 'o-cresol                            ' non-polymer        16   8 .
JZ1      JZ1 '2-ethylphenol                       ' non-polymer        19   9 .
JZ2      JZ2 '5-chloro-2-methylphenol             ' non-polymer        16   9 .
JZ3      JZ3 '2-methoxyphenol                     ' non-polymer        17   9 .
JZ4      JZ4 '2-propylphenol                      ' non-polymer        22  10 .
JZ5      JZ5 '(NZ)-N-(thiophen-2-ylmethylidene)hyd' non-polymer        13   8 .
JZ6      JZ6 '4-chloro-1H-pyrazole                ' non-polymer         9   6 .
JZ7      JZ7 '(2S)-2-ethoxy-3,4-dihydro-2H-pyran  ' non-polymer        21   9 .
JZ8      JZ8 '5-methyl-7-(naphthalen-2-ylamino)-1H' non-polymer        36  21 .
JZ9      JZ9 '4,5,6,7-tetrahydro-1H-indole        ' non-polymer        20   9 .
JZA      JZA '4-[(1,1-dioxido-1,2-thiazetidin-2-yl' non-polymer        26  14 .
JZB      JZB '"(5E,9E,11E)-13-chloro-14,16-dihydro' non-polymer        62  33 .
JZC      JZC '"(5E,9E,11E)-14,16-dihydroxy-3,4,7,8' non-polymer        62  32 .
JZD      JZD '.                                   ' non-polymer        85  49 .
JZE      JZE '.                                   ' non-polymer        73  45 .
JZF      JZF '"ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-di' non-polymer        55  26 .
JZG      JZG '"3-{1-[3-(biphenyl-4-ylamino)-3-oxop' non-polymer        68  42 .
JZH      JZH '(3S)-3-(4-hydroxyphenyl)-1,5-dihydro' non-polymer        41  26 .
JZI      JZI '(2R,4E)-2-[(naphthalen-2-ylcarbonyl)' non-polymer        44  26 .
JZJ      JZJ '(3S)-3-[4-(4-bromophenyl)-1H-imidazo' non-polymer        38  22 .
JZK      JZK '2-[(2-chlorobenzyl)amino]-1-(cyclohe' non-polymer        53  28 .
JZL      JZL '7-amino-2-[(2-chlorobenzyl)amino]-1-' non-polymer        59  31 .
JZN      JZN '1-{[3-(4-{[(2R)-4-(5-fluoro-2-methox' non-polymer        84  47 .
JZO      JZO '4-[3-(methoxymethyl)phenyl]-1,2-dime' non-polymer        47  27 .
JZP      JZP '(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophe' non-polymer        80  45 .
JZQ      JZQ '(4R)-3-[(2S,3S)-3-{[(2,6-difluorophe' non-polymer        80  45 .
JZR      JZR 'hexyl beta-D-glucopyranoside        ' non-polymer        42  18 .
JZS      JZS 'N-[(1R)-2-amino-1-methyl-2-oxoethyl]' non-polymer        57  36 .
JZT      JZT '.                                   ' non-polymer       116  52 .
JZU      JZU '5'-deoxy-5'-(sulfamoylamino)adenosin' non-polymer        38  23 .
JZV      JZV '"methyl (2E)-(methoxyimino)(2-{[({(1' non-polymer        48  29 .
JZW      JZW '[3-(6-{[4-(methylsulfonyl)piperazin-' non-polymer        63  34 .
JZX      JZX '5-(6-{[4-(methylsulfonyl)piperazin-1' non-polymer        60  33 .
JZY      JZY '4-methyl-5-(6-{[4-(methylsulfonyl)pi' non-polymer        62  34 .
JZZ      JZZ '4-[7-(3,3-dimethylbut-1-yn-1-yl)naph' non-polymer        46  25 .
K01      K01 'N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AM' non-polymer        46  24 .
K02      K02 '(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPH' non-polymer        49  25 .
K03      K03 'N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIEN' non-polymer        52  26 .
K05      K05 '(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPH' non-polymer        41  25 .
K10      K10 '1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-' non-polymer        46  23 .
K11      K11 'N-[4-({3-[2-(methylamino)pyrimidin-4' non-polymer        59  39 .
K17      K17 '4,5,6,7-TETRABROMO-BENZIMIDAZOLE    ' non-polymer        15  13 .
K1R      K1R '"(2S)-2-AMINO-4-[({[(2R)-2-AMINO-2-C' non-polymer        30  17 .
K21      K21 '4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIO' non-polymer        62  30 .
K22      K22 '4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZO' non-polymer        16  14 .
K23      K23 '"6-chloro-3-[1-(4-chlorobenzyl)-4-ph' non-polymer        48  32 .
K25      K25 '4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-B' non-polymer        23  16 .
K26      K26 'N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(' non-polymer        71  37 .
K27      K27 '"4-carbamoyl-1-(3-{4-[(E)-(hydroxyim' non-polymer        39  21 .
K2B      K2B '(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE   ' non-polymer        72  28 .
K2C      K2C '6,7,12,13-tetrahydro-5H-indolo[2,3-a' non-polymer        37  24 .
K2N      K2N '"ethyl [(2S)-5-amino-2-methyl-3-phen' non-polymer        43  24 .
K2Z      K2Z '"benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-' non-polymer        82  37 .
K30      K30 '(2S)-4-(2,5-difluorophenyl)-N-[(3R,4' non-polymer        61  33 .
K32      K32 '4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZO' non-polymer        16  14 .
K37      K37 '4,5,6,7-TETRABROMO-2-(METHYLSULFANYL' non-polymer        19  15 .
K44      K44 '5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHY' non-polymer        24  17 .
K51      K51 '4-(6-{[(1S)-1-(HYDROXYMETHYL)-2-METH' non-polymer        43  24 .
K53      K53 '(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-' non-polymer        79  44 .
K54      K54 '(5S)-N-{(1S,2R)-3-[(1,3-benzothiazol' non-polymer        80  47 .
K55      K55 '"(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(' non-polymer        59  33 .
K57      K57 '(4R)-N-tert-butyl-3-{(2S,3S)-2-hydro' non-polymer        74  37 .
K5E      K5E '(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl' non-polymer        35  19 .
K60      K60 '5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5' non-polymer        81  47 .
K62      K62 '(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3' non-polymer        83  46 .
K64      K64 '"3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-' non-polymer        78  41 .
K66      K66 '[4,5,6,7-tetrabromo-2-(dimethylamino' non-polymer        28  20 .
K68      K68 '(4,5,6,7-tetrabromo-1H-benzimidazol-' non-polymer        20  17 .
K6X      K6X '3,4,5,6,7-pentabromo-1H-indazole    ' non-polymer        15  14 .
K74      K74 'N-methyl-2-[(4,5,6,7-tetrabromo-1-me' non-polymer        29  20 .
K7I      K7I 'L-alanyl-N-[(1S,2R)-1-benzyl-2-hydro' non-polymer        47  22 .
K7J      K7J 'N-(3-carboxypropanoyl)-L-alanyl-L-al' non-polymer        71  36 .
K84      K84 '(9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiaz' non-polymer        67  30 .
K88      K88 '"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-' non-polymer        47  26 .
K8X      K8X '4,5,6,7-tetraiodo-1H-benzimidazole  ' non-polymer        15  13 .
KA5      KA5 '5-chloro-N~6~-(2,5-dimethoxybenzyl)q' non-polymer        43  25 .
KAA      KAA '5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSI' non-polymer        58  32 .
KAB      KAB 'KABIRAMIDE C                        ' non-polymer       142  67 .
KAF      KAF 'N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(p' non-polymer        65  36 .
KAG      KAG '.                                   ' RNA                46  28 .
KAH      KAH '5-AMINO-4-HYDROXYHEXANOIC ACID      ' non-polymer        22  10 .
KAI      KAI '3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLI' non-polymer        28  15 .
KAM      KAM '"N-[7-KETO-8-AMINOPELARGONIC ACID]-[' non-polymer        52  28 .
KAN      KAN 'KANAMYCIN A                         ' non-polymer        69  33 .
KAP      KAP '7-KETO-8-AMINOPELARGONIC ACID       ' non-polymer        29  13 .
KAR      KAR '.                                   ' non-polymer       115  59 .
KAW      KAW 'N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(p' non-polymer        69  39 .
KB2      KB2 '(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(qui' non-polymer        63  30 .
KBE      KBE 'beta-lysine                         ' non-polymer        23  10 .
KBG      KBG '2-KETO-BETA-D-GLUCOSE               ' non-polymer        22  12 .
KBT      KBT '3-{[3-butyl-5-(1-methylethyl)-2,6-di' non-polymer        49  26 .
K        K   'POTASSIUM ION                       ' non-polymer         1   1 .
KCP      KCP '"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLA' non-polymer        37  23 .
KCQ      KCQ '(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRR' non-polymer        26  12 .
KCS      KCS 'carbonotrithioic acid               ' non-polymer         6   4 .
KCX      KCX 'LYSINE NZ-CARBOXYLIC ACID           ' peptide            26  13 .
KD0      KD0 '3-deoxy-8-O-phosphono-D-manno-oct-2-' non-polymer        32  20 .
KDA      KDA '(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID' non-polymer        36  19 .
KDB      KDB '3,4,5-trideoxy-alpha-D-erythro-oct-3' non-polymer        25  14 .
KDD      KDD '2,6-anhydro-3,5-dideoxy-D-ribo-oct-2' non-polymer        25  14 .
KDE      KDE 'prop-2-en-1-yl 3-deoxy-beta-L-gulo-o' non-polymer        36  19 .
KDF      KDF '3-deoxy-alpha-D-erythro-hex-2-ulofur' non-polymer        21  12 .
KDG      KDG '2-KETO-3-DEOXYGLUCONATE             ' non-polymer        21  12 .
KDH      KDH '"(2R,3R)-5,7-dihydroxy-2-(3,4,5-trih' non-polymer        51  33 .
KDN      KDN '3-deoxy-D-glycero-beta-D-galacto-non' non-polymer        33  18 .
KDO      KDO '3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID ' non-polymer        29  16 .
KDP      KDP '2-KETO-DEOXY-GALACTOSE              ' non-polymer        24  16 .
KDR      KDR 'prop-2-en-1-yl 3-deoxy-alpha-D-manno' non-polymer        36  18 .
KE4      KE4 '"(4R)-5-AMINO-4-[({3-HYDROXY-2-METHY' non-polymer        43  24 .
KEF      KEF 'CEFUROXIME (OCT-3-ENE FORM)         ' non-polymer        44  29 .
KEG      KEG '12-TUNGSTOPHOSPHATE                 ' non-polymer        53  53 .
KEK      KEK '(3E,5R)-8-(2-CHLOROPHENYL)-5-METHYL-' non-polymer        34  20 .
KEL      KEL 'N-[(2R)-2-benzyl-4-(hydroxyamino)-4-' non-polymer        38  21 .
KEM      KEM '"(3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROX' non-polymer        50  25 .
KEN      KEN 'N,N-dimethylmethanamine             ' non-polymer        13   4 .
KET      KET '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        36  24 .
KEU      KEU '"N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMIN' non-polymer        66  38 .
KGC      KGC 'N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDRO' non-polymer        35  19 .
KGQ      KGQ '"DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6' non-polymer        98  49 .
KGY      KGY '4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULF' non-polymer        62  35 .
KH1      KH1 '5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLO' non-polymer        81  33 .
KHA      KHA '1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONY' non-polymer        45  20 .
KHO      KHO '4-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TET' non-polymer        37  19 .
KHP      KHP '2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-' non-polymer        32  19 .
KI2      KI2 '3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4' non-polymer        42  24 .
KIA      KIA '2,6-dimethoxycyclohexa-2,5-diene-1,4' non-polymer        20  12 .
KIB      KIB '2,6-dimethoxybenzene-1,4-diol       ' non-polymer        22  12 .
KIF      KIF 'KIFUNENSINE                         ' non-polymer        28  16 .
KIM      KIM 'N~4~-methyl-N~4~-(3-methyl-1H-indazo' non-polymer        55  31 .
KIN      KIN '1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(' non-polymer        41  27 .
KIQ      KIQ '(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-' non-polymer        48  31 .
KIR      KIR 'KIRROMYCIN                          ' non-polymer       117  57 .
KIV      KIV '3-METHYL-2-OXOBUTANOIC ACID         ' non-polymer        15   8 .
KJ2      KJ2 '4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-P' non-polymer        43  25 .
KJZ      KJZ '"[(2E)-1-{4-[(2-chlorophenyl)amino]-' non-polymer        50  31 .
KKK      KKK '1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichl' non-polymer        64  36 .
KLN      KLN '1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHL' non-polymer        64  36 .
KLS      KLS '1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UR' non-polymer        26  14 .
KLT      KLT '2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-' non-polymer        33  22 .
KMB      KMB '2-AMINO-6-AMINOMETHYL-8-PHENYLSULFAN' non-polymer        38  22 .
KME      KME '"(1E)-prop-1-en-1-yl 3-deoxy-7-O-met' non-polymer        39  20 .
KMP      KMP '3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)' non-polymer        31  21 .
KMT      KMT '4-(METHYLSULFANYL)-2-OXOBUTANOIC ACI' non-polymer        16   9 .
KN0      KN0 '4-[1-benzyl-7-(trifluoromethyl)-1H-i' non-polymer        43  28 .
KN1      KN1 '4-[1-allyl-7-(trifluoromethyl)-1H-in' non-polymer        37  24 .
KN2      KN2 '4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE' non-polymer        28  18 .
KN3      KN3 '4-[1-(3-methylbut-2-en-1-yl)-7-(trif' non-polymer        43  26 .
KNC      KNC 'KANAMYCIN C                         ' non-polymer        69  33 .
KNI      KNI '(4R)-N-tert-butyl-3-[(2S,3S)-2-hydro' non-polymer        87  46 .
KNJ      KNJ '(4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dim' non-polymer        80  40 .
KO1      KO1 'D-glycero-alpha-D-talo-oct-2-ulopyra' non-polymer        30  17 .
KO2      KO2 'prop-2-en-1-yl D-glycero-alpha-D-tal' non-polymer        37  20 .
KOJ      KOJ '5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN' non-polymer        16  10 .
KOM      KOM '7,8-dihydroxy-4-phenyl-2H-chromen-2-' non-polymer        29  19 .
KOR      KOR 'L-HOMOCYSTEINE-S-N-S-L-CYSTEINE     ' peptide            30  17 .
KOS      KOS '17-DESMETHOXY-17-N,N-DIMETHYLAMINOET' non-polymer        92  44 .
KOT      KOT '1-beta-D-glucopyranosyl-4-phenyl-1H-' non-polymer        39  22 .
KPA      KPA '2-OXO-5-PHOSPHONOPENTANOIC ACID     ' non-polymer        20  12 .
KPC      KPC '(2-[2-KETOPROPYLTHIO]ETHANESULFONATE' non-polymer        21  11 .
KPH      KPH '[(1R)-1,5-diaminopentyl]phosphonic a' non-polymer        26  11 .
KPI      KPI '(2S)-2-amino-6-[(1-hydroxy-1-oxo-pro' peptide            29  15 .
KPL      KPL 'KETOPANTOATE                        ' non-polymer        19  10 .
KPV      KPV '5-PHENYL-2-KETO-VALERIC ACID        ' non-polymer        25  14 .
KQ7      KQ7 'N-(2-methyl-5-{[(2-morpholin-4-ylpyr' non-polymer        77  40 .
KR1      KR1 '3-({3-[(2-amino-6-fluoropyridin-4-yl' non-polymer        51  31 .
KR2      KR2 '(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)' non-polymer        54  30 .
KRA      KRA 'KURASOIN A                          ' non-polymer        33  19 .
KRB      KRB 'KURASOIN B                          ' non-polymer        36  21 .
KR       KR  'KRYPTON                             ' non-polymer         1   1 .
KRI      KRI '(S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDR' non-polymer        33  17 .
KRP      KRP '3-methyl-5-{[5-(1-methylethyl)-2,6-d' non-polymer        46  25 .
KRV      KRV '3-{[3-ethyl-5-(1-methylethyl)-2,6-di' non-polymer        43  24 .
KS1      KS1 '1-cyclopentyl-3-(1H-pyrrolo[2,3-b]py' non-polymer        41  24 .
KS4      KS4 '1-cyclobutyl-3-(3,4-dimethoxyphenyl)' non-polymer        43  24 .
KS5      KS5 '1-(1-methylethyl)-3-quinolin-6-yl-1H' non-polymer        39  23 .
KSA      KSA 'K-252A                              ' non-polymer        56  35 .
KSE      KSE '7-[(2-amino-2-methylpropyl)amino]-2-' non-polymer        57  30 .
KSF      KSF 'N-(2-chlorophenyl)-5-phenylimidazo[1' non-polymer        36  23 .
KSG      KSG '"(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTA' non-polymer        50  26 .
KSH      KSH '2-[(3,5-dimethoxyphenyl)amino]-5-eth' non-polymer        60  32 .
KSK      KSK '7-[(2-amino-2-methylpropyl)amino]-5-' non-polymer        61  32 .
KSL      KSL 'N-(2,6-dimethylphenyl)-5-phenylimida' non-polymer        42  24 .
KSM      KSM 'N-(2-chloro-6-methylphenyl)-8-[(3S)-' non-polymer        52  29 .
KSR      KSR '6-(5-methoxy-1-methyl-1H-indol-3-yl)' non-polymer        35  21 .
KSS      KSS '7-(3,4-dimethoxyphenyl)-5-(ethylsulf' non-polymer        39  22 .
KST      KST 'N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE ' peptide            32  18 .
KT3      KT3 '"N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYD' non-polymer        92  56 .
KT5      KT5 '"N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYD' non-polymer       122  74 .
KTA      KTA '(S)-CYCLOHEXANONE-2-ACETATE         ' non-polymer        22  11 .
KTH      KTH '2-KETOTHIAZOLE                      ' non-polymer        10   7 .
KTL      KTL '"(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)' non-polymer        51  26 .
KTN      KTN 'CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROP' non-polymer        64  36 .
KTP      KTP '(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL' non-polymer        44  27 .
KU8      KU8 '4-[3-(1,4-diazepan-1-ylcarbonyl)-4-f' non-polymer        49  28 .
KVY      KVY '4-amino-1-methyl-N-{1-methyl-5-[(1-m' non-polymer        62  34 .
KWT      KWT '"(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETH' non-polymer        55  31 .
KWZ      KWZ '4-(3-piperidin-1-ylpropyl)-6-[3-(tri' non-polymer        48  27 .
KX1      KX1 '4-cycloheptyl-6-(3-piperidin-1-ylpro' non-polymer        54  24 .
KXN      KXN '(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-' non-polymer        35  21 .
KXO      KXO '6-(3-fluorophenyl)-N-[1-(2,2,2-trifl' non-polymer        46  27 .
KY1      KY1 '4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID' non-polymer        24  14 .
KYN      KYN '(2S)-2-amino-4-(2-aminophenyl)-4-oxo' peptide            26  15 .
KYQ      KYQ '(E)-N~6~-(1-carboxy-2-hydroxyethylid' peptide            30  16 .
KYS      KYS 'N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}' non-polymer        68  37 .
KYT      KYT '(3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMI' non-polymer        73  34 .
KZ9      KZ9 '(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2' non-polymer        33  19 .
KZI      KZI '5-{[(1R,2S)-2-aminocyclohexyl]amino}' non-polymer        54  28 .
KZL      KZL '5-[(2-amino-1,1-dimethylethyl)amino]' non-polymer        53  29 .
KZM      KZM '5-{[(1R,2S)-2-aminocyclohexyl]amino}' non-polymer        68  38 .
L00      L00 '(2R)-2-(5-{3-chloro-6-((2-methoxyeth' non-polymer        73  38 .
L01      L01 '3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(' non-polymer        80  39 .
L02      L02 '4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-Y' non-polymer        34  18 .
L03      L03 '3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H' non-polymer        22  14 .
L04      L04 '.                                   ' non-polymer        99  52 .
L05      L05 '1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-' non-polymer        49  29 .
L06      L06 '5-{[AMINO(IMINO)METHYL]AMINO}-2-(SUL' non-polymer        27  13 .
L08      L08 '1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)TH' non-polymer        60  34 .
L09      L09 '"N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'' non-polymer        50  28 .
L0C      L0C '4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]' non-polymer        53  31 .
L0D      L0D '2-(1H-pyrazol-3-yl)-1H-benzimidazole' non-polymer        22  14 .
L0E      L0E '4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H' non-polymer        55  31 .
L0F      L0F 'N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZ' non-polymer        36  23 .
L0G      L0G '2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1' non-polymer        53  28 .
L0H      L0H 'N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZ' non-polymer        36  23 .
L0I      L0I '4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMIN' non-polymer        52  28 .
L10      L10 '"N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-D' non-polymer        47  26 .
L11      L11 'N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL' non-polymer        56  31 .
L12      L12 '3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE   ' non-polymer        31  17 .
L13      L13 '4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYD' non-polymer        24  14 .
L15      L15 '2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENY' non-polymer        30  15 .
L17      L17 'L17                                 ' non-polymer        53  33 .
L18      L18 '(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-' non-polymer        48  19 .
L1A      L1A 'N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLA' non-polymer        98  48 .
L1B      L1B '7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL' non-polymer        49  25 .
L1C      L1C '"(2R,4S)-N^1^-(4-chlorophenyl)-4-(2,' non-polymer        62  40 .
L1D      L1D '(2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[' non-polymer        63  39 .
L1E      L1E 'N~1~-(4-chlorophenyl)-6-methyl-N~5~-' non-polymer        54  35 .
L1G      L1G 'N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZI' non-polymer        83  44 .
L1O      L1O '4-(2-aminoethoxy)-3,5-dichlorobenzoi' non-polymer        23  15 .
L1P      L1P '3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCER' non-polymer       137  50 .
L1R      L1R '4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-' non-polymer        45  25 .
L20      L20 '(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METH' non-polymer        53  30 .
L21      L21 '3-(3-methylbut-2-en-1-yl)-3H-purin-6' non-polymer        28  15 .
L22      L22 '4-(2-amino-1,3-thiazol-4-yl)pyrimidi' non-polymer        20  13 .
L23      L23 '4-[1-(2,6-dichlorobenzyl)-2-methyl-1' non-polymer        35  22 .
L24      L24 '"[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYD' non-polymer        55  32 .
L27      L27 '"{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OX' non-polymer        81  44 .
L2A      L2A '"(2S,5S,8S,11S,15E,20S)-20-amino-2-(' non-polymer        92  43 .
L2C      L2C '(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL' non-polymer        75  29 .
L2G      L2G 'N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-' non-polymer        85  46 .
L2P      L2P '2,3-DI-PHYTANYL-GLYCEROL            ' non-polymer       134  46 .
L2S      L2S '1-{[(4-methylphenyl)sulfanyl]acetyl}' non-polymer        36  17 .
L31      L31 '3-[(1R)-2-acetyl-6-methyl-2,3,4,9-te' non-polymer        44  24 .
L34      L34 '"4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5' non-polymer        53  34 .
L35      L35 '"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]C' non-polymer        40  25 .
L37      L37 '.                                   ' non-polymer        48  31 .
L3A      L3A '"(2R)-3-[(R)-[(1R)-1-amino-3-methylb' non-polymer        34  15 .
L3G      L3G 'N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PY' non-polymer        79  43 .
L3O      L3O '(2S,3S)-3-amino-2-hydroxy-5-methylhe' non-polymer        25  11 .
L3P      L3P '2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHO' non-polymer       152  59 .
L41      L41 '{4-[3-(4-acetyl-3-hydroxy-2-propylph' non-polymer        54  29 .
L42      L42 '2-(acetylamino)-2-deoxy-3-O-(4-deoxy' non-polymer        50  30 .
L47      L47 '3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-' non-polymer        37  22 .
L4C      L4C '(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARB' non-polymer        31  20 .
L4G      L4G '6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-' non-polymer        68  37 .
L4P      L4P '3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHY' non-polymer       149  55 .
L51      L51 '1-{3-[(6-aminoquinolin-4-yl)amino]ph' non-polymer        69  38 .
L5G      L5G '7-methoxy-4-[(6-phenyl[1,2,4]triazol' non-polymer        46  29 .
L64      L64 '1-(4-{4-morpholin-4-yl-1-[1-(pyridin' non-polymer        77  45 .
L6S      L6S '6-O-sulfo-alpha-L-galactose         ' pyranose           28  16 .
L75      L75 'N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-P' non-polymer        96  48 .
L79      L79 '"(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5' non-polymer        57  28 .
L81      L81 '1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-' non-polymer        43  23 .
L86      L86 '(11S)-11-BENZYL-6-CHLORO-1,2,10,11,1' non-polymer        69  36 .
L8I      L8I '"2'-(2-fluorophenyl)-1-methyl-6',8',' non-polymer        50  29 .
L8V      L8V '2-({4-[(2-aminopyridin-4-yl)oxy]-3-f' non-polymer        49  33 .
L92      L92 '"(2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3' non-polymer        56  31 .
L98      L98 '(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO' non-polymer        28  16 .
L9G      L9G '3-{6-[2-(2,4-difluorophenyl)ethyl][1' non-polymer        47  29 .
L9Q      L9Q '"(1S)-2-{[(S)-(2-aminoethoxy)(hydrox' non-polymer       130  51 .
L9R      L9R '"(2S)-3-(octadecanoyloxy)-2-[(9Z)-oc' non-polymer       140  54 .
L9X      L9X 'L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5' non-polymer        51  29 .
LA1      LA1 '(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUIN' non-polymer        76  40 .
LA2      LA2 'N~6~-[(6R)-6,8-disulfanyloctanoyl]-L' peptide            48  21 .
LA3      LA3 '(2R)-2-[4-(1,3-benzodioxol-5-yl)benz' non-polymer        61  35 .
LAA      LAA '(3R)-3-hydroxy-L-alpha-asparagine   ' non-polymer        17  10 .
LAB      LAB 'LATRUNCULIN B                       ' non-polymer        56  27 .
LAC      LAC 'LACTIC ACID                         ' non-polymer        11   6 .
LA       LA  'LANTHANUM (III) ION                 ' non-polymer         1   1 .
LAD      LAD 'ADENOSINE-5'-[LYSYL-PHOSPHATE]      ' non-polymer        57  32 .
LAE      LAE '3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDR' non-polymer        36  17 .
LAF      LAF '5-FLUOROLEVULINIC ACID              ' non-polymer        15   9 .
LAG      LAG '"MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R' non-polymer        67  35 .
LAK      LAK 'BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-G' saccharide         45  23 .
LAL      LAL 'N,N-DIMETHYL-L-ALANINE              ' non-polymer        18   8 .
LAM      LAM '"4'-NITROPHENYL-S-(BETA-D-GLUCOPYRAN' non-polymer        78  43 .
LAN      LAN 'LANOSTEROL                          ' non-polymer        81  31 .
LAP      LAP '[2-((1-OXODODECANOXY-(2-HYDROXY-3-PR' non-polymer        71  29 .
LAQ      LAQ '"5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3' non-polymer        59  34 .
LAR      LAR 'LATRUNCULIN A                       ' non-polymer        60  29 .
LAS      LAS 'N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-' non-polymer        48  25 .
LAT      LAT 'BETA-LACTOSE                        ' saccharide         45  23 .
LAX      LAX 'EICOSA-8,11,14-TRIENOIC ACID        ' non-polymer        55  22 .
LAZ      LAZ 'N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE  ' non-polymer        23  13 .
LB2      LB2 '3-O-beta-D-glucopyranosyl-beta-D-glu' non-polymer        45  23 .
LBP      LBP '(2S)-2-amino-4-(S-butyl-N-phosphonos' non-polymer        36  18 .
LBT      LBT 'ALPHA-LACTOSE                       ' saccharide         45  23 .
LBV      LBV '.                                   ' non-polymer        77  43 .
LBY      LBY 'N~6~-(TERT-BUTOXYCARBONYL)-L-LYSINE ' peptide            38  17 .
LC0      LC0 '3-({4-methoxy-5-[(4-methoxybenzyl)ox' non-polymer        57  33 .
LC1      LC1 '2-(1,3-thiazol-4-yl)-1H-benzimidazol' non-polymer        26  18 .
LC2      LC2 'N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19' non-polymer        66  33 .
LC4      LC4 '12-(1H-imidazol-1-yl)dodecanoic acid' non-polymer        44  19 .
LCA      LCA '"[(1R,3R,4R,7S)-7-HYDROXY-3-(ADENIN-' non-polymer        36  24 .
LCC      LCC '"[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHY' non-polymer        37  23 .
LCE      LCE '"(1S,3S,4S,5S)-7,7-dichloro-3-methox' non-polymer        22  15 .
LCF      LCF '"[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-' non-polymer        48  27 .
LCG      LCG '"[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-' DNA                37  25 .
LCK      LCK '(Z)-N~6~-(2-carboxy-1-methylethylide' peptide            32  16 .
LCO      LCO 'CHLORATE ION                        ' non-polymer         4   4 .
LCP      LCP 'PERCHLORATE ION                     ' non-polymer         5   5 .
LCS      LCS 'L-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer        36  22 .
LCY      LCY '1-methylpyrrolidine-2,5-dione       ' non-polymer        15   8 .
LDA      LDA 'LAURYL DIMETHYLAMINE-N-OXIDE        ' non-polymer        47  16 .
LDC      LDC '4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PE' non-polymer        29  16 .
LDH      LDH 'N~6~-ETHYL-L-LYSINE                 ' peptide            29  12 .
LDM      LDM '3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMI' non-polymer        57  21 .
LDN      LDN '4-[6-(4-piperazin-1-ylphenyl)pyrazol' non-polymer        53  31 .
LDO      LDO '6-HYDROXY-L-NORLEUCINE              ' non-polymer        22  10 .
LDP      LDP 'L-DOPAMINE                          ' non-polymer        22  11 .
LDT      LDT 'IDD594                              ' non-polymer        35  24 .
LDY      LDY 'alpha-D-lyxopyranose                ' pyranose           20  10 .
LE1      LE1 '3-sulfanyl-L-valine                 ' peptide            19   9 .
LEA      LEA 'LEVULINIC ACID                      ' non-polymer        16   7 .
LEC      LEC 'N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-' non-polymer        42  24 .
LED      LED '(4R)-5-OXO-L-LEUCINE                ' peptide            20  10 .
LEF      LEF '(4S)-5-FLUORO-L-LEUCINE             ' peptide            21  10 .
LEG      LEG '1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE    ' non-polymer        36  16 .
LEH      LEH 'N-[12-(1H-imidazol-1-yl)dodecanoyl]-' non-polymer        63  27 .
LEI      LEI '3-sulfanyl-D-valine                 ' peptide            19   9 .
LEM      LEM '(3S)-3-amino-5-methylhexan-2-one    ' non-polymer        24   9 .
LEN      LEN '3-METHYLBUTAN-1-AMINE               ' non-polymer        19   6 .
LEO      LEO 'D-LIMONENE 1,2-EPOXIDE              ' non-polymer        27  11 .
LEP      LEP 'N~2~-phosphono-L-leucinamide        ' non-polymer        28  13 .
LET      LET '(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-O' peptide            49  26 .
LEU      LEU 'LEUCINE                             ' peptide            19   8 .
LEW      LEW '1-beta-D-glucopyranosyl-4-naphthalen' non-polymer        45  26 .
LFA      LFA 'EICOSANE                            ' non-polymer        62  20 .
LFC      LFC '6-DEOXY-L-GALACTONIC ACID           ' non-polymer        23  12 .
LFN      LFN 'LUMIFLAVIN                          ' non-polymer        31  19 .
LFR      LFR 'BETA-L-FRUCTO-FURANOSE              ' non-polymer        24  12 .
LFX      LFX '"(3S)-9-fluoro-3-methyl-10-(4-methyl' non-polymer        45  26 .
LG0      LG0 '1-(4-methoxyphenyl)-6-(4-(1-(pyrroli' non-polymer        66  37 .
LG1      LG1 '3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QU' non-polymer        43  26 .
LG2      LG2 '"6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8' non-polymer        55  27 .
LG3      LG3 'PYRIMIDINE-2,4-DIAMINE              ' non-polymer        14   8 .
LG4      LG4 '5-METHYLPYRIDIN-2-AMINE             ' non-polymer        16   8 .
LG5      LG5 '1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE ' non-polymer        18   8 .
LG6      LG6 'L-GULURONIC ACID 6-PHOSPHATE        ' non-polymer        27  17 .
LG7      LG7 '4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRA' non-polymer        36  23 .
LG8      LG8 '3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TET' non-polymer        62  34 .
LG9      LG9 '(1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXY' non-polymer        32  15 .
LGA      LGA 'PYRIMIDIN-2-AMINE                   ' non-polymer        12   7 .
LGB      LGB '2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydrox' non-polymer        37  24 .
LGC      LGC '(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HY' pyranose           22  12 .
LGD      LGD '6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4' non-polymer        35  26 .
LGF      LGF '1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)-' non-polymer        64  40 .
LGG      LGG 'N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLAL' non-polymer       101  52 .
LGJ      LGJ '"N-(3-FLUORO-2'-(METHYLSULFONYL)BIPH' non-polymer        59  41 .
LGK      LGK '"6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL' non-polymer        63  42 .
LGL      LGL '"1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TR' non-polymer        72  44 .
LGM      LGM '"3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H' non-polymer        72  41 .
LGP      LGP 'N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANIN' DNA                34  22 .
LGS      LGS '"(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)' non-polymer        50  22 .
LGT      LGT 'L-GLUCARIC ACID                     ' non-polymer        22  14 .
LGU      LGU 'ALPHA-L-GULURONATE                  ' pyranose           22  13 .
LGV      LGV 'N-({4-[(3-cyclopropyl-1H-pyrazol-5-y' non-polymer        46  29 .
LGW      LGW 'N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-' non-polymer        53  32 .
LGX      LGX 'N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-' non-polymer        53  32 .
LGZ      LGZ '"CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDR' non-polymer        85  46 .
LHA      LHA 'DOUBLY FUNCTIONALIZED PAROMOMYCIN PM' non-polymer       125  60 .
LHC      LHC '(2S)-2-amino-4-(4-amino-2-oxopyrimid' peptide            26  15 .
LHG      LHG '1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCERO' non-polymer       123  49 .
LHJ      LHJ 'N-cyclopropyl-3-[1-(2,4-difluorophen' non-polymer        52  32 .
LHY      LHY 'L-[(N-HYDROXYAMINO)CARBONYL]PHENYLAL' non-polymer        27  16 .
LI0      LI0 '4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)' non-polymer        88  48 .
LI1      LI1 '1-[2,6,10.14-TETRAMETHYL-HEXADECAN-1' non-polymer       131  45 .
LI2      LI2 '3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PY' non-polymer        58  33 .
LI3      LI3 '3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN' non-polymer        43  25 .
LI4      LI4 '3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE' non-polymer        33  19 .
LI5      LI5 '2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN P' non-polymer        27  14 .
LI6      LI6 '3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)' non-polymer        23  14 .
LI7      LI7 '(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-I' non-polymer        28  18 .
LI8      LI8 'N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-' non-polymer        66  35 .
LI9      LI9 '4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(' non-polymer        64  35 .
LIA      LIA '(4-AMINO-2-{[1-(METHYLSULFONYL)PIPER' non-polymer        51  30 .
LIB      LIB '3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYD' non-polymer        58  32 .
LIC      LIC '3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYD' non-polymer        61  33 .
LI       LI  'LITHIUM ION                         ' non-polymer         1   1 .
LID      LID '8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLU' non-polymer        43  28 .
LIE      LIE '2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROP' non-polymer        45  29 .
LIF      LIF '"N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FU' non-polymer        58  39 .
LIG      LIG '3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,' non-polymer        29  18 .
LIH      LIH '6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAM' non-polymer        42  25 .
LII      LII '(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-' non-polymer        44  25 .
LIJ      LIJ '"BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2' non-polymer        96  47 .
LIK      LIK '3,6-BIS(METHYLENE)DECANOIC ACID     ' non-polymer        33  14 .
LIL      LIL '2-TRIDECANOYLOXY-PENTADECANOIC ACID ' non-polymer        85  32 .
LIM      LIM '3-OXO-PENTADECANOIC ACID            ' non-polymer        45  18 .
LIO      LIO '[1-PENTADECANOYL-2-DECANOYL-GLYCEROL' non-polymer       109  43 .
LIP      LIP 'L-MYO-INOSITOL-1-PHOSPHATE          ' non-polymer        27  16 .
LIQ      LIQ 'N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROB' non-polymer        87  45 .
LIR      LIR '2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-' non-polymer        48  27 .
LIS      LIS '(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC A' non-polymer        17   9 .
LIT      LIT '{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZO' non-polymer        22  18 .
LIU      LIU 'N-[(4-{[1,1-dimethyl-2-(phenylthio)e' non-polymer        77  41 .
LIV      LIV '.                                   ' non-polymer       107  52 .
LIW      LIW '4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-' non-polymer        93  52 .
LIX      LIX 'N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHO' non-polymer        82  44 .
LIY      LIY '6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-' non-polymer        62  31 .
LIZ      LIZ 'N-{(1S,2S)-2-[bis(carboxymethyl)amin' non-polymer        89  49 .
LJ1      LJ1 '2,6-dimethyl-4-[(E)-2-phenylethenyl]' non-polymer        33  17 .
LJ2      LJ2 '2,6-dibromo-4-[(E)-2-phenylethenyl]p' non-polymer        27  17 .
LJ3      LJ3 '3,5-dibromobiphenyl-4-ol            ' non-polymer        23  15 .
LJ4      LJ4 '2,6-dibromo-4-phenoxyphenol         ' non-polymer        24  16 .
LJ5      LJ5 'N-(3,5-dibromo-4-hydroxyphenyl)benza' non-polymer        27  18 .
LJE      LJE 'N-{3-methyl-4-[(3-pyrimidin-4-ylpyri' non-polymer        50  33 .
LJF      LJF 'N-[4-({3-[5-fluoro-2-(methylideneami' non-polymer        59  38 .
LJG      LJG 'N,N'-(iminodiethane-2,1-diyl)bis[4-a' non-polymer        74  35 .
LJH      LJH 'N,N'-(iminodiethane-2,1-diyl)bis(4-a' non-polymer        76  41 .
LJZ      LJZ '"4,4'-{cyclohexa-2,5-diene-1,4-diyli' non-polymer        64  40 .
LK1      LK1 'N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL' non-polymer        49  28 .
LK2      LK2 'N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL' non-polymer        49  28 .
LK3      LK3 'N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SUL' non-polymer        52  29 .
LK4      LK4 'N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN' non-polymer        51  33 .
LK5      LK5 '"(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORM' non-polymer        48  22 .
LK7      LK7 '"(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-' non-polymer        37  19 .
LKA      LKA '5-THIO-A/B-D-MANNOPYRANOSYLAMINE    ' non-polymer        25  12 .
LKC      LKC '"4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-' non-polymer        34  19 .
LKG      LKG '4-[(6-phenyl[1,2,4]triazolo[4,3-b]py' non-polymer        37  23 .
LKM      LKM 'N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]N' non-polymer        51  34 .
LKS      LKS 'N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEX' non-polymer        41  21 .
LL1      LL1 '3-pyridin-4-yl-1H-indazole          ' non-polymer        24  15 .
LL2      LL2 '5-benzyl-1,3-thiazol-2-amine        ' non-polymer        23  13 .
LLB      LLB '[6-hydroxy-2-(4-hydroxyphenyl)-1-ben' non-polymer        64  35 .
LLC      LLC '[6-hydroxy-2-(4-hydroxyphenyl)-1-ben' non-polymer        58  33 .
LLF      LLF '"(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]M' non-polymer        31  20 .
LLG      LLG '2-aminoethyl naphthalen-1-ylacetate ' non-polymer        32  17 .
LLH      LLH '(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDRO' non-polymer        21  13 .
LLL      LLL '(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,' non-polymer        70  31 .
LLP      LLP '2-LYSINE(3-HYDROXY-2-METHYL-5-PHOSPH' peptide            46  25 .
LLT      LLT 'L-deoxythymidine                    ' non-polymer        31  17 .
LLX      LLX 'N-(4-aminobiphenyl-3-yl)benzamide   ' non-polymer        38  22 .
LLY      LLY 'NZ-(DICARBOXYMETHYL)LYSINE          ' peptide            30  17 .
LM2      LM2 '.                                   ' non-polymer        70  36 .
LMC      LMC '(2E,4E,6E)-3-methyl-6-(1,3,3-trimeth' non-polymer        41  20 .
LME      LME '(2S,3R)-2-azanyl-3-methyl-pentanedio' peptide            20  11 .
LMG      LMG '1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYC' non-polymer       141  55 .
LML      LML 'ISOBUTYL MALONIC ACID               ' non-polymer        21  11 .
LMQ      LMQ '(3S)-3-methyl-L-glutamine           ' peptide            22  11 .
LMR      LMR '(2S)-2-hydroxybutanedioic acid      ' non-polymer        13   9 .
LMS      LMS '"[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        37  23 .
LMT      LMT 'DODECYL-BETA-D-MALTOSIDE            ' non-polymer        81  35 .
LMU      LMU 'DODECYL-ALPHA-D-MALTOSIDE           ' non-polymer        81  35 .
LMZ      LMZ '5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)' non-polymer        34  20 .
LN1      LN1 '(3R)-4-{[(3,4-dihydroxyphenyl)acetyl' non-polymer        55  34 .
LN5      LN5 'N5-(1-iminopropyl)-L-ornithine      ' non-polymer        29  13 .
LN6      LN6 'N~5~-[(1E)-pentanimidoyl]-L-ornithin' non-polymer        35  15 .
LN7      LN7 'N~5~-[(1S)-1-aminopentyl]-L-ornithin' non-polymer        37  15 .
LNA      LNA '(9E,12Z)-10-nitrooctadeca-9,12-dieno' non-polymer        53  23 .
LNB      LNB '(9Z,12E)-12-nitrooctadeca-9,12-dieno' non-polymer        53  23 .
LNC      LNC '(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) N' non-polymer        82  51 .
LNG      LNG 'Delta-3isotetradecenoic acid        ' non-polymer        41  16 .
LNK      LNK 'PENTANE                             ' non-polymer        17   5 .
LNL      LNL 'ALPHA-LINOLENIC ACID                ' non-polymer        49  20 .
LNO      LNO 'L-LEUCYL-HYDROXYLAMINE              ' non-polymer        24  10 .
LNQ      LNQ '3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-E' non-polymer        45  21 .
LNR      LNR 'L-NOREPINEPHRINE                    ' non-polymer        23  12 .
LNT      LNT 'N-[(2S)-2-amino-1,1-dihydroxy-4-meth' non-polymer        38  17 .
LO1      LO1 '[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-AC' non-polymer        23  14 .
LO2      LO2 '2-{4-[butyl(3-chloro-4,5-dimethoxybe' non-polymer        57  33 .
LO3      LO3 '.                                   ' non-polymer       124  54 .
LOB      LOB 'LOBELINE                            ' non-polymer        52  25 .
LOC      LOC 'N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-' non-polymer        54  29 .
LOI      LOI '2-(methylamino)-N-(4-methyl-1,3-thia' non-polymer        40  24 .
LOL      LOL 'LEUCINOL                            ' non-polymer        24   9 .
LOM      LOM 'THIAZOLE                            ' non-polymer         8   5 .
LOP      LOP '"(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROX' non-polymer       112  45 .
LOR      LOR 'LORACABEF                           ' non-polymer        39  24 .
LOS      LOS '.                                   ' non-polymer        71  30 .
LOV      LOV '5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METH' non-polymer        40  16 .
LOX      LOX '3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXI' non-polymer        21  11 .
LP1      LP1 '"4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-Y' non-polymer       116  58 .
LP3      LP3 '"(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-' non-polymer        89  35 .
LP4      LP4 '"(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL' non-polymer       111  47 .
LP5      LP5 '"(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(' non-polymer       112  48 .
LP6      LP6 '6-piperidin-1-yl-L-norleucine       ' peptide            36  15 .
LP7      LP7 'ethyl 1,4-dihydroxy-2-oxo-1,2-dihydr' non-polymer        30  18 .
LP8      LP8 '3-cyclopentyl-1,4-dihydroxy-1,8-naph' non-polymer        32  18 .
LP9      LP9 '3-[4-(diethylamino)phenoxy]-6-(ethox' non-polymer        53  30 .
LPA      LPA 'LIPOIC ACID                         ' non-polymer        25  12 .
LPC      LPC '[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONY' non-polymer        77  31 .
LPD      LPD 'L-PROLINAMIDE                       ' non-polymer        18   8 .
LPE      LPE '1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCH' non-polymer        90  34 .
LPF      LPF '"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEU' non-polymer        49  26 .
LPG      LPG 'L-PROPARGYLGLYCINE                  ' peptide            11   7 .
LPL      LPL 'LEU-HYDROXYETHYLENE-LEU             ' non-polymer        43  17 .
LPM      LPM '6,8-DIMERCAPTO-OCTANOIC ACID AMIDE  ' non-polymer        29  12 .
LPO      LPO '(3S,4R)-N-[2-chloro-5-(2-methoxyethy' non-polymer        82  44 .
LPP      LPP '2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY' non-polymer       111  44 .
LPQ      LPQ '(3R,4S)-N-{2-chloro-5-[(cyclopropyla' non-polymer        83  44 .
LPR      LPR '[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L' non-polymer        58  29 .
LPS      LPS '"O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)' non-polymer        74  32 .
LPT      LPT 'CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINU' non-polymer        25   9 .
LPX      LPX '"(2S)-3-{[(R)-(2-aminoethoxy)(hydrox' non-polymer        73  30 .
LQQ      LQQ '6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(' non-polymer        62  33 .
LQZ      LQZ '2-(diethylamino)-N-(2,6-dimethylphen' non-polymer        39  17 .
LRB      LRB '.                                   ' non-polymer       116  59 .
LRG      LRG '(2S)-2-(biphenyl-4-yloxy)-3-phenylpr' non-polymer        41  24 .
LRH      LRH '6-DEOXY-BETA-L-FRUCTOFURANOSE       ' non-polymer        23  11 .
LRU      LRU '.                                   ' non-polymer        71  30 .
LS1      LS1 'N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-I' non-polymer        38  23 .
LS2      LS2 'N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H' non-polymer        42  27 .
LS3      LS3 '3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZO' non-polymer        43  28 .
LS4      LS4 '4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YL' non-polymer        41  27 .
LS5      LS5 '3-{[4-([AMINO(IMINO)METHYL]AMINOSULF' non-polymer        40  25 .
LSA      LSA '1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIO' non-polymer        17  12 .
LSG      LSG '5-acetyl-2-[(2-fluoro-4-iodophenyl)a' non-polymer        42  25 .
LSO      LSO '"(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-' peptide            51  28 .
LSP      LSP '(7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIO' non-polymer        32  16 .
LSR      LSR '1,3,3-trimethyl-2-[(1E,3E)-3-methylp' non-polymer        39  15 .
LSW      LSW 'N~2~-[(1S)-1-carboxy-3-phenylpropyl]' non-polymer        68  36 .
LT1      LT1 '(3-chloropropyl)benzene             ' non-polymer        21  10 .
LT2      LT2 '(3S)-3-hydroxy-2,3-dihydro-1H-indole' non-polymer        19  12 .
LT3      LT3 '(1S,4R,9S)-5-(trifluoromethyl)-1,2,3' non-polymer        28  16 .
LT4      LT4 '4-[(1R)-2-amino-1-hydroxyethyl]benze' non-polymer        23  12 .
LT5      LT5 '(1R)-2-amino-1-[3-(trifluoromethyl)p' non-polymer        24  14 .
LT6      LT6 '2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]' non-polymer        59  30 .
LTA      LTA '4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ' non-polymer        37  15 .
LTC      LTC '"(2S)-1-({3-O-[2-(acetylamino)-4-ami' non-polymer       124  54 .
LTL      LTL '6-HYDROXY-6-METHYL-HEPTAN-3-ONE     ' non-polymer        26  10 .
LTN      LTN 'L-TRYPTOPHANAMIDE                   ' non-polymer        28  15 .
LTT      LTT '4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)' non-polymer        26  15 .
LU       LU  'LUTETIUM (III) ION                  ' non-polymer         1   1 .
LUG      LUG 'N-(5-{3,4-difluoro-2-[(2-fluoro-4-io' non-polymer        39  26 .
LUM      LUM 'LUMICHROME                          ' non-polymer        28  18 .
LUT      LUT '(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDR' non-polymer        98  42 .
LUX      LUX '"(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-' non-polymer       114  42 .
LUZ      LUZ 'pteridine-2,4(1H,3H)-dione          ' non-polymer        16  12 .
LVA      LVA '"(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DI' non-polymer        67  30 .
LVG      LVG 'L-VINYLGLYCINE                      ' peptide            13   7 .
LVN      LVN '(3S)-4-oxo-L-valine                 ' peptide            17   9 .
LVS      LVS '4-IODO-3-NITROPHENYL ACETYL-LEUCINYL' non-polymer        85  42 .
LW4      LW4 '3-(1H-indol-3-yl)-4-[2-(4-methylpipe' non-polymer        55  33 .
LWG      LWG '6,9-dichloro[1]benzothieno[3,2-d]pyr' non-polymer        20  16 .
LWY      LWY '1-[(R)-hydroxy(methyl)phosphoryl]-L-' non-polymer        23  12 .
LX0      LX0 '4-(4-amino-6-{[(1R)-1-naphthalen-2-y' non-polymer        55  32 .
LX1      LX1 'L-XYLULOSE 5-PHOSPHATE              ' non-polymer        24  13 .
LX2      LX2 '"[4-(3-{[2-chloro-3-(trifluoromethyl' non-polymer        75  44 .
LX9      LX9 '6-{3-amino-1-[3-(1H-indol-6-yl)pheny' non-polymer        53  32 .
LXB      LXB '2-(acetylamino)-2-deoxy-beta-D-gulop' pyranose           30  15 .
LXC      LXC 'BETA-L-XYLOPYRANOSE                 ' non-polymer        20  10 .
LXG      LXG '8-[(E)-2-cyclopropylethenyl]-2-[(dim' non-polymer        42  23 .
LXN      LXN 'ALLOXAN                             ' non-polymer        12  10 .
LXP      LXP 'L-XYLITOL 5-PHOSPHATE               ' non-polymer        25  14 .
LXX      LXX '6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4' non-polymer        38  25 .
LXZ      LXZ '2-(acetylamino)-2-deoxy-alpha-D-idop' pyranose           30  15 .
LY0      LY0 '(2R)-3-[(R)-[(1R)-1-aminoethyl](hydr' non-polymer        25  12 .
LY1      LY1 '8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-B' non-polymer        24  13 .
LY2      LY2 '2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN' non-polymer        40  23 .
LY3      LY3 '"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-' non-polymer        53  33 .
LY4      LY4 '(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,1' non-polymer        63  35 .
LY5      LY5 '"(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-' non-polymer        46  24 .
LY7      LY7 'N-[(2S)-2-(4'-cyanobiphenyl-4-yl)pro' non-polymer        46  24 .
LYA      LYA '"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-' non-polymer        50  31 .
LYB      LYB '"2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7' non-polymer        95  58 .
LYC      LYC 'LYCOPENE                            ' non-polymer        96  40 .
LYD      LYD '"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-' non-polymer        51  29 .
LYG      LYG '8-chloro-2-{[(3S)-3-hydroxypyrrolidi' non-polymer        36  22 .
LYL      LYL '2-ALLYL-6-METHYL-PHENOL             ' non-polymer        23  11 .
LYM      LYM 'DEOXY-METHYL-LYSINE                 ' non-polymer        26  10 .
LYN      LYN '2,6-DIAMINO-HEXANOIC ACID AMIDE     ' non-polymer        26  10 .
LYP      LYP 'N~6~-METHYL-N~6~-PROPYL-L-LYSINE    ' non-polymer        35  14 .
LYR      LYR '"N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-' peptide            71  30 .
LYS      LYS 'LYSINE                              ' peptide            22   9 .
LYT      LYT 'BUTYLAMINE                          ' non-polymer        16   5 .
LYW      LYW '1-AMINO-1-CARBONYL PENTANE          ' non-polymer        21   8 .
LYX      LYX '.                                   ' peptide           109  62 .
LYZ      LYZ '5-HYDROXYLYSINE                     ' peptide            24  11 .
LZ0      LZ0 '[1-(2-oxoethyl)-1H-1,2,3-triazol-5-y' non-polymer        37  20 .
LZ1      LZ1 '1H-indazole                         ' non-polymer        15   9 .
LZ2      LZ2 '5-hydroxynaphthalene-1-sulfonamide  ' non-polymer        24  15 .
LZ3      LZ3 'N-(4-sulfamoylphenyl)-1H-indazole-3-' non-polymer        34  22 .
LZ4      LZ4 '4-[(6-chloropyrazin-2-yl)amino]benze' non-polymer        27  18 .
LZ5      LZ5 'N-phenyl-1H-pyrazole-3-carboxamide  ' non-polymer        23  14 .
LZ6      LZ6 'L-gamma-glutamyl-S-(2-{[4-(3-carboxy' non-polymer        70  38 .
LZ7      LZ7 '4-(acetylamino)-N-(4-fluorophenyl)-1' non-polymer        30  19 .
LZ8      LZ8 'N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONY' non-polymer        37  24 .
LZ9      LZ9 '{[(2,6-difluorophenyl)carbonyl]amino' non-polymer        37  26 .
LZA      LZA '{[(2,6-difluorophenyl)carbonyl]amino' non-polymer        42  25 .
LZB      LZB '5-chloro-7-[(1-methylethyl)amino]pyr' non-polymer        26  16 .
LZC      LZC '5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROP' non-polymer        46  23 .
LZD      LZD '4-{[(2,6-difluorophenyl)carbonyl]ami' non-polymer        42  25 .
LZE      LZE '4-{[(2,6-dichlorophenyl)carbonyl]ami' non-polymer        42  25 .
LZF      LZF '5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-' non-polymer        56  34 .
LZG      LZG '"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACI' non-polymer        52  33 .
LZH      LZH '"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACI' non-polymer        56  34 .
LZI      LZI '(4R)-4-{[(5-chlorothiophen-2-yl)carb' non-polymer        66  39 .
LZJ      LZJ '6-(2,6-dibromophenyl)pyrido[2,3-d]py' non-polymer        29  20 .
LZK      LZK '6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]' non-polymer        37  22 .
LZL      LZL '7-(2,5-dihydropyrrol-1-yl)-6-phenyl-' non-polymer        37  22 .
LZM      LZM 'PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONIT' non-polymer        15  11 .
LZP      LZP '4,4'-piperazine-1,4-diylbis{1-[3-(be' non-polymer        82  48 .
LZQ      LZQ '4-[3-(dibenzylamino)phenyl]-2,4-diox' non-polymer        49  29 .
LZR      LZR '6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-' non-polymer        59  33 .
LZS      LZS 'N-{6-(CYCLOPROPYLMETHOXY)-7-METHOXY-' non-polymer        73  41 .
M01      M01 '1-[1-(9H-purin-6-yl)piperidin-4-yl]m' non-polymer        33  17 .
M02      M02 '1-(9H-purin-6-yl)piperidin-4-amine  ' non-polymer        30  16 .
M03      M03 '1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[' non-polymer        44  24 .
M04      M04 '1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[' non-polymer        47  25 .
M05      M05 '4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3' non-polymer        45  24 .
M07      M07 '(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-' non-polymer        42  23 .
M08      M08 '(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-' non-polymer        38  21 .
M09      M09 '(3S,5R,7R,8S,9S,10R)-7-(hydroxymethy' non-polymer        42  24 .
M0E      M0E 'MOENOMYCIN                          ' non-polymer       213 109 .
M0H      M0H 'S-(HYDROXYMETHYL)-L-CYSTEINE        ' peptide            17   9 .
M0N      M0N '(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3' non-polymer        32  20 .
M11      M11 'N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-' non-polymer        49  25 .
M12      M12 '10-METHYLUNDECANOIC ACID            ' non-polymer        37  14 .
M13      M13 'METHYL 3-O-ALPHA-D-MANNOPYRANOSYL-BE' non-polymer        48  24 .
M14      M14 '2-[3-chloro-5-(3-chloro-5-cyanopheno' non-polymer        47  33 .
M18      M18 '"{(2S)-1-[N-(tert-butoxycarbonyl)gly' non-polymer        55  28 .
M1A      M1A '6-AMINO-1-METHYLPURINE              ' non-polymer        19  11 .
M1B      M1B '2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4' non-polymer        45  27 .
M1C      M1C '(3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEP' non-polymer        36  14 .
M1G      M1G '3-(2-DEOXY-BETA-D-RIBOFURANOSYL)-PYR' DNA                38  26 .
M1L      M1L '"2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIH' non-polymer        65  36 .
M1N      M1N '"(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YL' non-polymer        64  32 .
M1P      M1P 'ALPHA-D-MANNOSE 1-PHOSPHATE         ' non-polymer        27  16 .
M1S      M1S '(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8' non-polymer        45  24 .
M1T      M1T '6,6-dihydroxy-1-methoxyhexan-2-one  ' non-polymer        25  11 .
M21      M21 '(10E,12Z)-tetradeca-10,12-dien-1-ol ' non-polymer        41  15 .
M22      M22 '3-chloro-5-[2-chloro-5-(1H-indazol-3' non-polymer        41  28 .
M24      M24 '"5'-O-[(R)-[({3-[5-(2-fluorophenyl)-' non-polymer        63  43 .
M25      M25 'N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}' non-polymer        30  16 .
M28      M28 '3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC' non-polymer        25  15 .
M29      M29 'ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PRO' non-polymer        32  17 .
M2C      M2C '(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PY' non-polymer        31  15 .
M2F      M2F '2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-B' non-polymer        37  24 .
M2G      M2G 'N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHAT' RNA                42  26 .
M2L      M2L '(2R)-2-amino-3-(2-dimethylaminoethyl' peptide            27  12 .
M2M      M2M '1-METHOXY-2-(2-METHOXYETHOXY)ETHANE ' non-polymer        23   9 .
M2P      M2P 'D-MANNITOL-1,6-DIPHOSPHATE          ' non-polymer        32  20 .
M2S      M2S '3-{[(R)-methylsulfinyl]methyl}-L-val' peptide            26  12 .
M2T      M2T '5'-deoxy-5'-(dimethyl-lambda~4~-sulf' non-polymer        40  21 .
M33      M33 '5'-O-[(S)-hydroxy{[(S)-hydroxy(methy' non-polymer        43  27 .
M35      M35 '"1-[3-(aminomethyl)phenyl]-N-[3-fluo' non-polymer        57  37 .
M37      M37 '"1-[2-(aminomethyl)phenyl]-N-(3-fluo' non-polymer        56  37 .
M38      M38 '4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUI' non-polymer        39  25 .
M3C      M3C '(2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1' non-polymer        28  14 .
M3F      M3F '1-methyl-3-(trifluoromethyl)benzo[c]' non-polymer        29  20 .
M3L      M3L 'N-TRIMETHYLLYSINE                   ' peptide            33  13 .
M3M      M3M '3-O-alpha-D-mannopyranosyl-alpha-D-m' saccharide         45  23 .
M3P      M3P '(2E,4E)-2-hydroxy-6-oxohepta-2,4-die' non-polymer        18  11 .
M3R      M3R 'Methyl phosphonated L-Arginine      ' non-polymer        32  16 .
M3S      M3S '2-(acetyloxy)-3-methylbenzoic acid  ' non-polymer        23  14 .
M44      M44 '.                                   ' non-polymer        28  11 .
M4O      M4O '.                                   ' non-polymer       165  87 .
M4S      M4S '4-methoxybenzenesulfonamide         ' non-polymer        21  12 .
M54      M54 '6-(3-aminopropyl)-4-(3-hydroxyphenyl' non-polymer        53  31 .
M5G      M5G '.                                   ' non-polymer       162  84 .
M5M      M5M '2'-(N-ACETAMIDE)-CYTIDINE-5'-MONOPHO' RNA                39  24 .
M5P      M5P '(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTA' non-polymer        30  15 .
M5S      M5S 'alpha-D-mannopyranosyl-(1->3)-[alpha' non-polymer       108  56 .
M66      M66 '.                                   ' non-polymer       110  52 .
M6D      M6D '6-O-phosphono-beta-D-mannopyranose  ' non-polymer        27  16 .
M6P      M6P 'ALPHA-D-MANNOSE-6-PHOSPHATE         ' pyranose           27  16 .
M6R      M6R '5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANN' non-polymer        30  16 .
M6T      M6T '.                                   ' non-polymer        45  27 .
M77      M77 '5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOL' non-polymer        37  20 .
M7G      M7G '7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOS' non-polymer        45  29 .
M7P      M7P 'D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHAT' non-polymer        31  18 .
M80      M80 '3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHE' non-polymer        58  33 .
M84      M84 '3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}P' non-polymer        34  20 .
M8C      M8C 'METHYL ALPHA-D-GALACTOPYRANURONATE  ' pyranose           26  14 .
M8E      M8E '5'-{[4-(aminooxy)butyl](methyl)amino' non-polymer        55  28 .
M8M      M8M '5'-{[2-(aminooxy)ethyl](methyl)amino' non-polymer        48  25 .
M98      M98 '"(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOR' non-polymer        56  38 .
M99      M99 '"(R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOR' non-polymer        56  38 .
MA0      MA0 '(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-PROP' non-polymer        31  15 .
MA1      MA1 '1,4-dithio-alpha-D-glucopyranose    ' pyranose           24  12 .
MA2      MA2 '4-S-methyl-4-thio-alpha-D-glucopyran' pyranose           27  13 .
MA3      MA3 'O1-METHYL-4-DEOXY-4-THIO-ALPHA-D-GLU' pyranose           27  13 .
MA4      MA4 'CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE   ' non-polymer        79  35 .
MA5      MA5 '2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO' non-polymer        67  31 .
MA6      MA6 '6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE' RNA                41  25 .
MA7      MA7 '1N-METHYLADENOSINE-5'-MONOPHOSPHATE ' DNA                38  23 .
MA8      MA8 '"(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROX' non-polymer        57  29 .
MA9      MA9 '(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHEN' non-polymer        53  32 .
MAA      MAA 'N-methyl-L-alanine                  ' non-polymer        15   7 .
MAB      MAB 'MANNOBIOSE                          ' non-polymer        45  23 .
MAC      MAC 'MERCURY ACETATE ION                 ' non-polymer         8   5 .
MA       MA  'METHYL L-ALANINATE                  ' non-polymer        16   7 .
MAD      MAD '6-HYDRO-1-METHYLADENOSINE-5'-MONOPHO' non-polymer        38  24 .
MAE      MAE 'MALEIC ACID                         ' non-polymer        10   8 .
MAF      MAF '2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE    ' non-polymer        23  12 .
MAG      MAG 'BETA-METHYL-N-ACETYL-D-GLUCOSAMINE  ' pyranose           33  16 .
MAH      MAH '3-HYDROXY-3-METHYL-GLUTARIC ACID    ' non-polymer        19  11 .
MAI      MAI 'DEOXO-METHYLARGININE                ' non-polymer        30  12 .
MAJ      MAJ 'indane-5-sulfonamide                ' non-polymer        24  13 .
MAK      MAK 'ALPHA-KETOMALONIC ACID              ' non-polymer         8   8 .
MAL      MAL 'MALTOSE                             ' saccharide         45  23 .
MAN      MAN 'ALPHA-D-MANNOSE                     ' pyranose           24  12 .
MAO      MAO '.                                   ' non-polymer        45  24 .
MAP      MAP 'MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPH' non-polymer        48  32 .
MAQ      MAQ '2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE' non-polymer        22  13 .
MAR      MAR '4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN ' non-polymer        86  47 .
MAS      MAS 'dimethylsulfamic acid               ' non-polymer        14   7 .
MAT      MAT '2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-' pyranose           32  13 .
MAU      MAU 'N-METHYL KIRROMYCIN                 ' non-polymer       120  58 .
MAV      MAV 'alpha-D-mannopyranuronic acid       ' pyranose           22  13 .
MAW      MAW '4-deoxy-alpha-L-erythro-hex-4-enopyr' non-polymer        19  12 .
MAX      MAX 'MATAIRESINOL                        ' non-polymer        48  26 .
MAY      MAY 'METHYL ARACHIDONYL FLUOROPHOSPHONATE' non-polymer        61  25 .
MAZ      MAZ 'FORMIC ACID 3-AMINO-BENZYL ESTER    ' non-polymer        20  11 .
MB1      MB1 '2-chloro-5-nitrobenzenesulfonamide  ' non-polymer        19  14 .
MB3      MB3 '1-methylpyrrolidin-2-one            ' non-polymer        16   7 .
MB9      MB9 '"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,' non-polymer        40  23 .
MBB      MBB '"2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)' non-polymer        66  35 .
MBC      MBC '2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-' non-polymer        42  26 .
MBD      MBD '3-METHYLCATECHOL                    ' non-polymer        17   9 .
MBF      MBF '2-DEOXY-2-FLUORO-BETA-D-MANNOSE     ' non-polymer        23  12 .
MBG      MBG 'METHYL-BETA-GALACTOSE               ' pyranose           27  13 .
MBH      MBH '(1R)-1-benzyl-1-(carboxymethyl)-1-me' non-polymer        28  14 .
MBM      MBM '"N-{N'-(2-methyl-1-benzofuran-5-yl)-' non-polymer        70  38 .
MBN      MBN 'TOLUENE                             ' non-polymer        15   7 .
MBO      MBO 'MERCURIBENZOIC ACID                 ' non-polymer        14  10 .
MBP      MBP '1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-Y' non-polymer        30  17 .
MBQ      MBQ '2-HYDROXY-5-({1-[(4-METHYLPHENOXY)ME' peptide            49  28 .
MBR      MBR 'TRIBROMOMETHANE                     ' non-polymer         5   4 .
MBS      MBS '.                                   ' non-polymer        48  28 .
MBT      MBT '3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5' non-polymer        40  20 .
MBV      MBV 'MESOBILIVERDIN IV ALPHA             ' non-polymer        79  43 .
MBZ      MBZ '1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-BE' DNA                37  22 .
MC1      MC1 'METHICILLIN ACYL-SERINE             ' peptide            58  33 .
MC2      MC2 'N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL' non-polymer        63  33 .
MC3      MC3 '1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPH' non-polymer       118  46 .
MC9      MC9 'CALCIPOTRIOL                        ' non-polymer        70  30 .
MCA      MCA 'METHYLMALONYL-COENZYME A            ' non-polymer        90  55 .
MC       MC  '1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSE' non-polymer        39  23 .
MCD      MCD 'METHYLMALONYL(CARBADETHIA)-COENZYME ' non-polymer        92  55 .
MCF      MCF '(8R)-3-(5-S-methyl-5-thio-beta-D-rib' non-polymer        39  21 .
MCG      MCG '(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGL' peptide            24  15 .
MCH      MCH 'trichloromethane                    ' non-polymer         5   4 .
MCI      MCI '"(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLI' non-polymer        47  29 .
MCJ      MCJ 'N-[(2,3-dihydroxyphenyl)carbonyl]-O-' non-polymer        77  49 .
MCK      MCK 'N-[(2,3-dihydroxyphenyl)carbonyl]-O-' non-polymer        63  39 .
MCL      MCL 'NZ-(1-CARBOXYETHYL)-LYSINE          ' peptide            31  15 .
MCM      MCM '7-AMINO-4-METHYL-CHROMEN-2-ONE      ' non-polymer        22  13 .
MCN      MCN 'PTERIN CYTOSINE DINUCLEOTIDE        ' non-polymer        64  44 .
MCO      MCO '1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PY' non-polymer        28  14 .
MCP      MCP '2-CARBOXY-4-METHYLPIPERIDINE        ' non-polymer        22  10 .
MCR      MCR 'SULFANYLACETIC ACID                 ' non-polymer         8   5 .
MCS      MCS 'MALONYL CYSTEINE                    ' peptide            20  13 .
MCT      MCT '4-METHYLCATECHOL                    ' non-polymer        17   9 .
MCV      MCV '5-[2-(2,5-dimethoxyphenyl)ethyl]thie' non-polymer        41  23 .
MCW      MCW '2-methoxycyclohexa-2,5-diene-1,4-dio' non-polymer        16  10 .
MCY      MCY '5-METHYL-2'-DEOXYCYTIDINE           ' non-polymer        32  17 .
MD1      MD1 '"PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,' non-polymer        71  47 .
MD2      MD2 'N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-' non-polymer        34  14 .
MD7      MD7 '(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclo' non-polymer        39  23 .
MDA      MDA '2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOS' pyranose           25  11 .
MDC      MDC 'N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLA' non-polymer        49  28 .
MDD      MDD 'MALONALDEHYDE                       ' non-polymer         9   5 .
MDE      MDE '5-MERCAPTOETHANOL-2-DECENOYL-COENZYM' non-polymer       114  63 .
MDH      MDH 'N-METHYLDEHYDROBUTYRINE             ' non-polymer        16   8 .
MDJ      MDJ '4-amino-1-(2-deoxy-5-O-phosphono-bet' non-polymer        37  22 .
MDK      MDK '4-amino-1-(2-deoxy-5-O-phosphono-bet' non-polymer        36  21 .
MDL      MDL '[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL' non-polymer        69  40 .
MDM      MDM 'METHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-D-' saccharide         48  24 .
MDN      MDN 'METHYLENEDIPHOSPHONIC ACID          ' non-polymer        15   9 .
MDO      MDO '{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-4-M' non-polymer        26  14 .
MDP      MDP 'N-CARBOXY-N-METHYL-MURAMIC ACID     ' pyranose           39  21 .
MDQ      MDQ '.                                   ' non-polymer        36  22 .
MDR      MDR '9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-M' non-polymer        32  18 .
MDU      MDU '.                                   ' non-polymer        38  23 .
MDV      MDV '(7S,8S)-3-(2-deoxy-5-O-phosphono-bet' non-polymer        40  26 .
MDW      MDW '(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-M' non-polymer        48  28 .
MDX      MDX '11-MERCAPTOUNDECANOIC ACID          ' non-polymer        35  14 .
MDY      MDY '(2Z)-N-(3-chloro-2'-methoxybiphenyl-' non-polymer        39  24 .
MDZ      MDZ 'N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-M' non-polymer        49  25 .
ME0      ME0 'hydroxy-L-methionine                ' peptide            20  10 .
ME1      ME1 '5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)' non-polymer        43  27 .
ME2      ME2 '1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE  ' non-polymer        26  10 .
ME3      ME3 'RUTHENIUM-PYRIDOCARBAZOLE-3         ' non-polymer        54  36 .
ME4      ME4 '"3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYR' non-polymer        60  35 .
ME5      ME5 '"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRI' non-polymer        50  30 .
ME6      ME6 '"[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-' non-polymer        36  21 .
ME8      ME8 '"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-y' non-polymer        53  31 .
MEA      MEA 'N-METHYLPHENYLALANINE               ' non-polymer        25  13 .
MEB      MEB 'ONE HALF OF PARA-XYLENE             ' non-polymer        12   4 .
MEC      MEC 'ETHYL-CARBAMIC ACID METHYL ESTER    ' non-polymer        16   7 .
MED      MED 'D-METHIONINE                        ' peptide            19   9 .
MEE      MEE 'METHANETHIOL                        ' non-polymer         6   2 .
MEF      MEF '"N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,' non-polymer        54  33 .
MEG      MEG '(2S,3S)-2-azanyl-3-methyl-pentanedio' peptide            20  11 .
MEI      MEI '(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLD' non-polymer        46  19 .
MEK      MEK '3,4-difluoro-2-[(2-fluoro-4-iodophen' non-polymer        47  29 .
MEL      MEL '"[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)' non-polymer        61  31 .
MEN      MEN 'N-METHYL ASPARAGINE                 ' peptide            19  10 .
MEQ      MEQ 'N5-METHYLGLUTAMINE                  ' peptide            22  11 .
MER      MER '"(1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMI' non-polymer        52  27 .
MES      MES '2-(N-MORPHOLINO)-ETHANESULFONIC ACID' non-polymer        25  12 .
MET      MET 'METHIONINE                          ' peptide            17   8 .
MEU      MEU 'O-METHYL-GLYCINE                    ' non-polymer        13   6 .
MEV      MEV '(R)-MEVALONATE                      ' non-polymer        21  10 .
MEZ      MEZ '(2E)-2-METHYLBUT-2-ENEDIOIC ACID    ' non-polymer        13   9 .
MF2      MF2 'CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBA' non-polymer        49  19 .
MF3      MF3 '2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BU' peptide            19  12 .
MF4      MF4 'TETRAFLUOROMAGNESATE(2-)            ' non-polymer         5   5 .
MFB      MFB 'BETA-L-METHYL-FUCOSE                ' pyranose           26  12 .
MFC      MFC '5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-MET' non-polymer        39  24 .
MFD      MFD '(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,' non-polymer        52  24 .
MFG      MFG '(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDEN' non-polymer        25  13 .
MFM      MFM '"(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2' non-polymer        36  25 .
MFN      MFN 'N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMM' non-polymer        94  55 .
MFP      MFP '((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2' non-polymer        60  33 .
MFQ      MFQ '((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2' non-polymer        60  33 .
MFR      MFR '4-(4-methoxy-1H-pyrrolo[2,3-b]pyridi' non-polymer        29  18 .
MFS      MFS '(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-' non-polymer        84  47 .
MFT      MFT '.                                   ' non-polymer        37  22 .
MFU      MFU 'ALPHA-L-METHYL-FUCOSE               ' pyranose           26  12 .
MFX      MFX '"1-cyclopropyl-6-fluoro-8-methoxy-7-' non-polymer        52  29 .
MG1      MG1 '.                                   ' DNA                38  24 .
MG7      MG7 '7-METHYLGUANOSINE                   ' non-polymer        37  21 .
MG8      MG8 'N-OCTANOYL-N-METHYLGLUCAMINE        ' non-polymer        53  22 .
MGB      MGB 'METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) ' non-polymer        25  13 .
MGC      MGC 'ALPHA-METHYL-N-ACETYL-D-GALACTOSAMIN' non-polymer        33  16 .
MG       MG  'MAGNESIUM ION                       ' non-polymer         1   1 .
MGD      MGD '"2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7' non-polymer        71  47 .
MGE      MGE '(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-' non-polymer       120  48 .
MGF      MGF 'TRIFLUOROMAGNESATE                  ' non-polymer         4   4 .
MGG      MGG '2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDIN' non-polymer        33  18 .
MGI      MGI 'methyl 4-(2,3-dihydroxy-5-methylphen' non-polymer        38  22 .
MGL      MGL 'O1-METHYL-GLUCOSE                   ' pyranose           27  13 .
MGM      MGM '2-[METHYL-(5-GERANYL-4-METHYL-PENT-3' non-polymer        63  29 .
MGN      MGN '2-METHYL-GLUTAMINE                  ' peptide            22  11 .
MGO      MGO '"[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL' non-polymer        49  33 .
MGP      MGP '7-METHYL-GUANOSINE-5'-TRIPHOSPHATE  ' non-polymer        48  33 .
MGQ      MGQ '7-BENZYL GUANINE MONOPHOSPHATE      ' non-polymer        50  31 .
MGR      MGR 'MALACHITE GREEN                     ' non-polymer        50  25 .
MGS      MGS '1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTY' non-polymer        43  20 .
MGT      MGT '7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHO' non-polymer        49  33 .
MGU      MGU '2-O-[2-O-METHYL-4-[2,4-DIHYDROXY-BUT' non-polymer        77  37 .
MGV      MGV 'P-FLUORO-7-BENZYL GUANINE MONOPHOSPH' RNA                50  32 .
MGX      MGX '1-METHYLGUANIDINE                   ' non-polymer        12   5 .
MH2      MH2 'MANGANESE ION, 1 HYDROXYL COORDINATE' non-polymer         3   2 .
MH4      MH4 '1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-' non-polymer        72  39 .
MH6      MH6 '3-hydroxy-2-iminopropanoic acid     ' non-polymer        11   7 .
MHA      MHA '(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO' non-polymer        21  13 .
MHB      MHB '.                                   ' non-polymer        30  19 .
MHC      MHC '3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-C' non-polymer        34  18 .
MHE      MHE '5,5-dimethyl-2-oxohexanoic acid     ' non-polymer        24  11 .
MHF      MHF '5,10-METHENYL-6,7,8-TRIHYDROFOLIC AC' non-polymer        54  33 .
MHH      MHH 'methyl hydrogen (R)-hexylphosphonate' non-polymer        28  11 .
MHL      MHL 'N-METHYL-4-HYDROXY-LEUCINE          ' M-peptide          25  11 .
MHN      MHN '6-METHYLHEPTAN-1-OL                 ' non-polymer        27   9 .
MHO      MHO 'S-OXYMETHIONINE                     ' peptide            20  10 .
MHR      MHR '4-(4-propoxy-1H-pyrrolo[2,3-b]pyridi' non-polymer        35  20 .
MHS      MHS 'N1-METHYLATED HISTIDINE             ' peptide            22  12 .
MHT      MHT '(3R)-3-(METHYLSULFANYL)-1-AZABICYCLO' non-polymer        25  10 .
MHU      MHU '4-N,N-(DIMETHYLAMINO)-L-PHENYLALANIN' non-polymer        33  16 .
MHV      MHV '4-OXO-L-PIPECOLIC ACID              ' non-polymer        18  10 .
MHW      MHW '3-HYDROXYPICOLINIC ACID             ' non-polymer        14  10 .
MHZ      MHZ '5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METH' non-polymer        49  25 .
MI1      MI1 '3-{(3R,4R)-4-methyl-3-[methyl(7H-pyr' non-polymer        43  23 .
MI2      MI2 '2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBO' non-polymer        34  19 .
MI3      MI3 '.                                   ' non-polymer        59  41 .
MI4      MI4 '(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-h' non-polymer        93  39 .
MI5      MI5 'N-(3-methylisothiazol-5-yl)-3-(1-met' non-polymer        50  28 .
MI6      MI6 '"(2'R,3R,4'R,5'R)-6-chloro-4'-(3-chl' non-polymer        74  39 .
MIA      MIA '2-METHYLTHIO-N6-ISOPENTENYL-ADENOSIN' RNA                54  30 .
MIB      MIB '(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3' non-polymer        28  15 .
MIC      MIC 'ALPHA-METHYLISOCITRIC ACID          ' non-polymer        21  14 .
MID      MID '1-[N-(naphthalen-2-ylsulfonyl)glycyl' non-polymer        68  37 .
MIG      MIG '(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(' non-polymer        31  14 .
MII      MII 'methicillin                         ' non-polymer        45  26 .
MIK      MIK 'METHYL ISONICOTINIMIDATE LYSINE     ' non-polymer        35  18 .
MIL      MIL 'MILRINONE                           ' non-polymer        25  16 .
MIM      MIM '[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-' non-polymer        95  43 .
MIN      MIN 'METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCI' non-polymer        62  28 .
MIR      MIR 'Monoethylphosphorylserine           ' peptide            23  13 .
MIS      MIS 'MONOISOPROPYLPHOSPHORYLSERINE       ' peptide            26  14 .
MIT      MIT '"amino{[(4S)-5-[(2R,4R)-2-carboxy-4-' non-polymer        71  35 .
MIU      MIU 'N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZ' non-polymer        66  34 .
MIX      MIX '1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXY' non-polymer        60  32 .
MIY      MIY '(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAM' non-polymer        60  33 .
MIZ      MIZ '1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-' non-polymer        34  16 .
MJA      MJA '"(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,' non-polymer        53  24 .
MJG      MJG 'N-[5-({5-[(4-acetylpiperazin-1-yl)ca' non-polymer        84  43 .
MJI      MJI '1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYC' non-polymer        75  32 .
MJZ      MJZ '.                                   ' non-polymer        63  40 .
MK1      MK1 '"N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2' non-polymer        92  45 .
MK2      MK2 'N~4~-[7-(1-benzofuran-2-yl)-1H-indaz' non-polymer        40  26 .
MK3      MK3 '6-{5-[(2-aminopyrimidin-4-yl)amino]-' non-polymer        43  28 .
MK8      MK8 '2-methyl-L-norleucine               ' non-polymer        24  10 .
MKC      MKC '6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL ' non-polymer        44  22 .
MKE      MKE '(4S)-4-AMINO-5-OXOHEXANOIC ACID     ' non-polymer        20  10 .
MKK      MKK '1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL' non-polymer        67  34 .
MKR      MKR '1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-' non-polymer        66  35 .
ML0      ML0 '"4-{2-amino-6-[(1R)-2,2,2-trifluoro-' non-polymer        59  38 .
ML1      ML1 'N-[2-(5-methoxy-1H-indol-3-yl)ethyl]' non-polymer        33  17 .
ML2      ML2 'N-[2-(2-iodo-5-methoxy-1H-indol-3-yl' non-polymer        33  18 .
ML3      ML3 '2-{[(2R)-2-amino-2-carboxyethyl]sulf' peptide            31  13 .
ML4      ML4 '4-(5-{[(2'-methylbiphenyl-2-yl)methy' non-polymer        58  33 .
ML8      ML8 '8-cyclopentyl-6-[3-(hydroxymethyl)ph' non-polymer        51  27 .
ML9      ML9 '2-amino-8-[trans-4-(2-hydroxyethoxy)' non-polymer        58  31 .
MLA      MLA 'MALONIC ACID                        ' non-polymer         9   7 .
MLC      MLC 'MALONYL-COENZYME A                  ' non-polymer        87  54 .
MLD      MLD 'GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-' non-polymer       120  64 .
MLE      MLE 'N-METHYLLEUCINE                     ' M-peptide          24  10 .
MLG      MLG 'N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-' non-polymer        32  17 .
MLI      MLI 'MALONATE ION                        ' non-polymer         9   7 .
MLK      MLK 'METHYLLYCACONITINE                  ' non-polymer        99  49 .
MLL      MLL 'METHYL L-LEUCINATE                  ' non-polymer        25  10 .
MLM      MLM '3-AMINO-3-OXOPROPANOIC ACID         ' non-polymer        11   7 .
MLN      MLN '(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-' non-polymer        56  30 .
MLP      MLP '1-AMINOCYCLOPROPYLPHOSPHONATE       ' non-polymer        15   8 .
MLR      MLR 'MALTOTRIOSE                         ' non-polymer        66  34 .
MLT      MLT 'MALATE ION                          ' non-polymer        13   9 .
MLY      MLY 'N-DIMETHYL-LYSINE                   ' peptide            29  12 .
MLZ      MLZ 'N-METHYL-LYSINE                     ' peptide            26  11 .
MM0      MM0 'N,N'-(dibenzo[b,j][1,7]phenanthrolin' non-polymer        62  32 .
#MM1      MM1 '1,4,8,11-TETRAAZA-CYCLOTETRADECANE C' non-polymer        39  15 .
#MM2      MM2 '"1,1'-[1,4-PHENYLENEBIS(METHYLENE)]B' non-polymer        92  38 .
MM3      MM3 'N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFO' non-polymer        46  24 .
MM4      MM4 'MOLYBDENUM (IV) OXIDE               ' non-polymer         3   3 .
#MM5      MM5 '1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BI' non-polymer        86  38 .
MM6      MM6 'NICKEL(II)(1,4,8,11-TETRAAZACYCLOTET' non-polymer        35  15 .
MMA      MMA 'O1-METHYL-MANNOSE                   ' pyranose           27  13 .
MMB      MMB '"(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,' non-polymer        59  32 .
MMC      MMC 'METHYL MERCURY ION                  ' non-polymer         5   2 .
MME      MME 'N-METHYL METHIONINE                 ' non-polymer        22  10 .
MMG      MMG '4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin' non-polymer        37  24 .
MMH      MMH 'N-[3-(acetylamino)phenyl]-5-{(2E)-2-' non-polymer        52  30 .
MMI      MMI 'N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMIN' non-polymer       114  52 .
MMM      MMM '"(S,E)-3-HYDROXY-2-((3-HYDROXY-2-MET' non-polymer        37  23 .
MMN      MMN '5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMIN' non-polymer        34  15 .
MMO      MMO 'N~5~-(DIAMINOMETHYLENE)-N~2~-METHYLO' non-polymer        28  13 .
MMP      MMP 'N-METHYLMESOPORPHYRIN               ' non-polymer        81  43 .
MMQ      MMQ 'MERCAPTOMETHYL PHOSPHONATE          ' non-polymer         9   6 .
MMR      MMR 'N-((2R,3R,4S,6S)-6-(HYDROXYMETHYL)-2' non-polymer        40  19 .
MMT      MMT '5'-O-(DIMETHYLAMINO)-THYMIDINE      ' non-polymer        39  20 .
MMU      MMU '1,3-dimethylurea                    ' non-polymer        14   6 .
MMZ      MMZ '1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-' non-polymer        13   7 .
MN1      MN1 '4-CARBOXYPIPERIDINE                 ' non-polymer        19   9 .
MN2      MN2 '1-CARBOXYETHYLAMINOMETHYL-4-AMINOMET' non-polymer        31  15 .
MN3      MN3 'MANGANESE (III) ION                 ' non-polymer         1   1 .
MN7      MN7 '1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZE' non-polymer        31  15 .
MN8      MN8 '2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BE' non-polymer        38  21 .
MNA      MNA '2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURA' non-polymer        42  22 .
MNB      MNB '5-MERCAPTO-2-NITRO-BENZOIC ACID     ' non-polymer        17  13 .
MNC      MNC 'METHYL ISOCYANIDE                   ' non-polymer         6   3 .
MN       MN  'MANGANESE (II) ION                  ' non-polymer         1   1 .
MND      MND 'N-methyl-D-asparagine               ' peptide            19  10 .
MNG      MNG 'MENOGARIL                           ' non-polymer        70  39 .
MNH      MNH 'MANGANESE PROTOPORPHYRIN IX         ' non-polymer        73  43 .
MNI      MNI 'N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-5-(H' non-polymer        45  22 .
MNL      MNL '4,N-DIMETHYLNORLEUCINE              ' non-polymer        27  11 .
MNM      MNM '(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYD' non-polymer        24  11 .
MNN      MNN '(S)-MANDELIC ACID NITRILE           ' non-polymer        17  10 .
MNO      MNO '(3S)-N-METHANESULFONYL-3-({1-[N-(2-N' non-polymer        70  38 .
MNP      MNP '2-(3-NITROPHENYL)ACETIC ACID        ' non-polymer        19  13 .
MNQ      MNQ 'M-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer        34  25 .
MNR      MNR 'PROTOPORPHYRIN IX CONTAINING MN     ' non-polymer        73  43 .
MNS      MNS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer        31  17 .
MNT      MNT '2'(3')-O-N-METHYLANTHRANILOYL-ADENOS' non-polymer        55  36 .
MNU      MNU '"(2R,4S)-1-[(4R)-3,4-DIHYDROXYTETRAH' RNA                40  24 .
MNV      MNV 'N-METHYL-C-AMINO VALINE             ' non-polymer        23   9 .
MNX      MNX '1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE' non-polymer        27  20 .
MNY      MNY '5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUI' non-polymer        30  20 .
MO6      MO6 'MAGNESIUM ION, 6 WATERS COORDINATED ' non-polymer        13   7 .
MO7      MO7 'HEPTAMOLYBDATE                      ' non-polymer        31  31 .
MO8      MO8 '4-methyl-7,8-dihydro-5H-thiopyrano[4' non-polymer        23  12 .
MO9      MO9 '"(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-' non-polymer        52  31 .
MOA      MOA 'MYCOPHENOLIC ACID                   ' non-polymer        42  23 .
MOB      MOB '.                                   ' non-polymer        35  22 .
MOC      MOC '"CARBAMIC ACID 2,6-DIAMINO-5-METHYL-' non-polymer        38  22 .
MO       MO  'MOLYBDENUM ATOM                     ' non-polymer         1   1 .
MOD      MOD 'L-METHIONYL ADENYLATE               ' non-polymer        56  30 .
MOE      MOE 'METHOXY-ETHOXYL                     ' non-polymer        12   5 .
MOF      MOF 'MOMETASONE FUROATE                  ' non-polymer        65  35 .
MOG      MOG '5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PY' non-polymer        18  12 .
MOH      MOH 'METHANOL                            ' non-polymer         6   2 .
MOI      MOI '(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A' non-polymer        40  21 .
MOJ      MOJ '"(5E,7S)-2-amino-7-(4-fluoro-2-pyrid' non-polymer        45  27 .
MOM      MOM 'HYDROXY(DIOXO)MOLYBDENUM            ' non-polymer         5   4 .
MON      MON '4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]' non-polymer        62  33 .
MOO      MOO 'MOLYBDATE ION                       ' non-polymer         5   5 .
MOP      MOP '4-METHYLPENTANAL                    ' non-polymer        19   7 .
MOQ      MOQ 'MOTUPORIN                           ' non-polymer       116  55 .
MOR      MOR 'morpholine-4-carboxylic acid        ' non-polymer        18   9 .
MOS      MOS 'DIOXOTHIOMOLYBDENUM(VI) ION         ' non-polymer         5   4 .
MOT      MOT 'N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDI' non-polymer        52  32 .
MOU      MOU '.                                   ' non-polymer       101  49 .
MOW      MOW 'Oxo(sulfanyl)molybdenum(IV) ION     ' non-polymer         4   3 .
MOX      MOX '"7-METHOXY-3-METHYL-7-(3-METHYL-2-PH' non-polymer        45  29 .
MOY      MOY '[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETH' non-polymer        42  24 .
MP1      MP1 'N-METHYLMESOPORPHYRIN CONTAINING COP' non-polymer        81  44 .
MP2      MP2 'N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLG' non-polymer        36  21 .
MP5      MP5 '(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METH' non-polymer        22  14 .
MP8      MP8 '(4R)-4-methyl-L-proline             ' P-peptide          19   9 .
MP9      MP9 '2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-' non-polymer        37  24 .
MPA      MPA '(1R)-MENTHYL HEXYL PHOSPHONATE GROUP' non-polymer        53  20 .
MPB      MPB '4-HYDROXY-BENZOIC ACID METHYL ESTER ' non-polymer        19  11 .
MPC      MPC '(1S)-MENTHYL HEXYL PHOSPHONATE GROUP' non-polymer        53  20 .
MPD      MPD '(4S)-2-METHYL-2,4-PENTANEDIOL       ' non-polymer        22   8 .
MPE      MPE '(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIM' non-polymer        31  18 .
MPG      MPG '1-MONOOLEOYL-RAC-GLYCEROL           ' non-polymer        65  25 .
MPH      MPH '(1-AMINO-3-METHYLSULFANYL-PROPYL)-PH' non-polymer        22  10 .
MPI      MPI 'IMIDAZO[1,2-A]PYRIDINE              ' non-polymer        16   9 .
MPJ      MPJ '(1-AMINO-3-METHYLSULFANYL-PROPYL)-PH' non-polymer        21   9 .
MPL      MPL 'N-METHYL-PYRIDOXAL-5'-PHOSPHATE     ' non-polymer        28  17 .
MPM      MPM '"(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5' non-polymer        42  24 .
MPN      MPN '"PHOSPHORIC ACID MONO-(2-AMINO-4-OXO' non-polymer        34  24 .
MPO      MPO '3[N-MORPHOLINO]PROPANE SULFONIC ACID' non-polymer        28  13 .
MPP      MPP '3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACI' non-polymer        28  15 .
MPQ      MPQ 'N-METHYL-ALPHA-PHENYL-GLYCINE       ' non-polymer        22  12 .
MPR      MPR '2-MERCAPTO-PROPION ALDEHYDE         ' non-polymer        11   5 .
MPT      MPT 'BETA-MERCAPTOPROPIONIC ACID         ' non-polymer        11   6 .
MPU      MPU 'D-MONAPTERIN                        ' non-polymer        29  18 .
MPX      MPX '4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]C' non-polymer        40  21 .
MPY      MPY '(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-' non-polymer        68  37 .
MPZ      MPZ '4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N' non-polymer        65  36 .
MQ0      MQ0 '(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-D' non-polymer        48  28 .
MQ1      MQ1 '5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINE' non-polymer        35  21 .
MQ7      MQ7 'MENAQUINONE-7                       ' non-polymer       112  48 .
MQ8      MQ8 'MENAQUINONE 8                       ' non-polymer       125  53 .
MQ9      MQ9 'MENAQUINONE-9                       ' non-polymer       138  58 .
MQA      MQA '.                                   ' non-polymer        44  25 .
MQD      MQD '2-METHYLPENTANE-1,2,4-TRIOL         ' non-polymer        23   9 .
MQI      MQI '8-HYDROSULFONYL-2-METHYLQUINOLINE   ' non-polymer        23  14 .
MQQ      MQQ 'N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHE' non-polymer        83  44 .
MQU      MQU '7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]' non-polymer        41  22 .
MR0      MR0 'N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)' non-polymer        84  44 .
MR1      MR1 '1-(1,3-BENZODIOXOL-5-YL)METHANAMINE ' non-polymer        20  11 .
MR2      MR2 '3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCH' non-polymer        46  31 .
MR3      MR3 '1-METHYL-1H-PYRROLE                 ' non-polymer        13   6 .
MR4      MR4 '4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYL' non-polymer        31  18 .
MR5      MR5 '4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOP' non-polymer        25  18 .
MR6      MR6 '2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZO' non-polymer        30  17 .
MR9      MR9 '4-METHYL-3-({3-[2-(METHYLAMINO)PYRIM' non-polymer        68  41 .
MRA      MRA '2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-' non-polymer        38  25 .
MRC      MRC 'MUPIROCIN                           ' non-polymer        78  35 .
MRD      MRD '(4R)-2-METHYLPENTANE-2,4-DIOL       ' non-polymer        22   8 .
MRE      MRE '2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBEN' non-polymer        34  20 .
MRG      MRG 'N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOS' DNA                45  27 .
MRK      MRK '2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMI' non-polymer        35  23 .
MRM      MRM '4-AMINOPIPERIDINE-1-CARBOXYLIC ACID ' non-polymer        22  10 .
MRP      MRP '3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE ' pyranose           26  12 .
MRR      MRR '(R)-2-METHYLMYRISTOYL-COENZYME A    ' non-polymer       124  64 .
MRS      MRS '(S)-2-METHYLMYRISTOYL-COENZYME A    ' non-polymer       124  64 .
MRT      MRT '"(5R,9S,12S,15S,18S,21S)-21-benzyl-1' non-polymer       138  75 .
MRU      MRU '5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RI' non-polymer        26  15 .
MRX      MRX '5-bromo-3-(pyrrolidin-1-ylsulfonyl)-' non-polymer        35  21 .
MRY      MRY 'MESO-ERYTHRITOL                     ' non-polymer        18   8 .
MS0      MS0 '(6-methoxy-1-benzofuran-3-yl)acetic ' non-polymer        24  15 .
MS1      MS1 '.                                   ' non-polymer        87  57 .
MS2      MS2 '"2,2-DICHLORO-1-METHANESULFINYL-3-ME' non-polymer        37  21 .
MS3      MS3 'N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VA' non-polymer       108  56 .
MS4      MS4 '.                                   ' non-polymer        38  26 .
MS5      MS5 '7-methoxy-2-(3-methoxybenzyl)-1,2,3,' non-polymer        48  26 .
MS7      MS7 'O-benzyl-N-methyl-L-tyrosinamide    ' non-polymer        41  21 .
MS8      MS8 '"(2R,3aR,7aR)-2-[(2S)-2-amino-3-hydr' non-polymer        33  18 .
MS9      MS9 'methyl 2-amino-4-chlorobenzoate     ' non-polymer        20  12 .
MSA      MSA '(2-S-METHYL) SARCOSINE              ' M-peptide          16   8 .
MSB      MSB '1-METHYLOXY-4-SULFONE-BENZENE       ' non-polymer        19  11 .
MSC      MSC '"2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXAN' non-polymer        83  47 .
MSD      MSD '1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-P' non-polymer        45  27 .
MSE      MSE 'SELENOMETHIONINE                    ' peptide            19   9 .
MSF      MSF '[METHYLSELENO]ACETATE               ' non-polymer        11   6 .
MSG      MSG '7-METHYL-6-THIO-GUANOSINE           ' non-polymer        36  21 .
MSH      MSH '3-METHANESULFONYL-HEXANE            ' non-polymer        26  10 .
MSI      MSI '1-METHYL-5-(2-PHENOXYMETHYL-PYRROLID' non-polymer        48  28 .
MSL      MSL '(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)' peptide            22  11 .
MSM      MSM '(METHYLSULFANYL)METHANE             ' non-polymer         9   3 .
MSN      MSN '(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTH' non-polymer        24  11 .
MSO      MSO 'SELENOMETHIONINE SELENOXIDE         ' peptide            20  10 .
MSP      MSP '5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENO' non-polymer        56  31 .
MSQ      MSQ '4-[3-METHYLSULFANYLANILINO]-6,7-DIME' non-polymer        40  23 .
MSR      MSR '4-(1H-IMIDAZOL-1-YL)PHENOL          ' non-polymer        20  12 .
MSS      MSS '(MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM  ' non-polymer        36  26 .
MST      MST '2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYL' non-polymer        35  16 .
MSU      MSU 'SUCCINIC ACID MONOMETHYL ESTER      ' non-polymer        16   9 .
MT0      MT0 '1-CHLORO-4-METHYLPHTHALAZINE        ' non-polymer        19  12 .
MT1      MT1 '"N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6' non-polymer        54  33 .
MT2      MT2 '[(3S)-3-amino-3-carboxypropyl](ethyl' peptide            27  11 .
MT3      MT3 '2-benzyl-5-{4-[(6,7-dimethoxyquinoli' non-polymer        61  37 .
MT4      MT4 '5-{4-[(6,7-dimethoxyquinolin-4-yl)ox' non-polymer        60  38 .
MT5      MT5 'N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETR' non-polymer        52  22 .
MT7      MT7 'alpha-D-glucopyranosyl-(1->4)-alpha-' non-polymer       150  78 .
MT9      MT9 '"(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-1' non-polymer        76  33 .
MTA      MTA '5'-DEOXY-5'-METHYLTHIOADENOSINE     ' non-polymer        35  20 .
MTB      MTB '.                                   ' non-polymer        39  22 .
MTC      MTC '"[1,8-DIHYDROXY-11-OXO-13-(2-METHYLT' non-polymer        43  26 .
MTD      MTD '[METHYLTELLURO]ACETATE              ' non-polymer        11   6 .
MTE      MTE '"PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DI' non-polymer        36  24 .
MTF      MTF 'N-METHYLTHIOFORMAMIDE               ' non-polymer         9   4 .
MTG      MTG '[METHYLTHIO]ACETATE                 ' non-polymer        11   6 .
MTH      MTH '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7' non-polymer        36  20 .
MTI      MTI '3,4-DIHYDROXY-2-[(METHYLSULFANYL)MET' non-polymer        37  20 .
MTJ      MTJ 'N,O-DIMETHYL-L-TYROSINE             ' non-polymer        29  15 .
MTK      MTK 'MONTELUKAST                         ' non-polymer        76  41 .
MTL      MTL 'D-MANNITOL                          ' non-polymer        26  12 .
MTM      MTM '(3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]' non-polymer        39  20 .
MTN      MTN '2,2,5,5-TETRAMETHYL-3-(SULFANYLMETHY' non-polymer        29  12 .
MTP      MTP '2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-' non-polymer        34  20 .
MTQ      MTQ '(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYB' non-polymer        33  27 .
MTR      MTR '"(5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN' DNA                34  20 .
MTS      MTS '(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYD' non-polymer        32  18 .
MTT      MTT 'MALTOTETRAOSE                       ' non-polymer        87  45 .
MTU      MTU '9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AM' non-polymer        35  23 .
MTV      MTV '(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYB' non-polymer        34  27 .
MTW      MTW 'HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4' non-polymer        43  28 .
MTX      MTX 'METHOTREXATE                        ' non-polymer        53  33 .
MTY      MTY 'META-TYROSINE                       ' peptide            23  13 .
MTZ      MTZ '4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-Y' non-polymer        46  26 .
MU0      MU0 '(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROX' non-polymer        93  48 .
MU1      MU1 'N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-' non-polymer        92  48 .
MU2      MU2 'N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAM' non-polymer        65  34 .
MUA      MUA '9-METHYL URIC ACID                  ' non-polymer        19  13 .
MUB      MUB 'N-ACETYLMURAMIC ACID                ' non-polymer        38  20 .
MUC      MUC '[(2S)-5-oxo-2,5-dihydrofuran-2-yl]ac' non-polymer        15  10 .
MUD      MUD 'N-{[(1R)-1-carboxy-2-(methylsulfanyl' non-polymer        33  20 .
MUF      MUF '"(8alpha,10alpha,13alpha,17beta)-17-' non-polymer        62  31 .
MUG      MUG '4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE' non-polymer        42  24 .
MUH      MUH 'N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRI' non-polymer        51  33 .
MUI      MUI '(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1' non-polymer        84  45 .
MUL      MUL 'TIAMULIN                            ' non-polymer        81  34 .
MUP      MUP 'METHOXYUNDECYLPHOSPHINIC ACID       ' non-polymer        43  16 .
MUR      MUR 'MURAMIC ACID                        ' non-polymer        33  17 .
MUS      MUS '"4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(A' non-polymer        57  33 .
MUT      MUT '(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1' non-polymer        84  45 .
MUU      MUU '"N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYL' non-polymer        71  36 .
MUV      MUV '"N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYL' non-polymer        64  33 .
MUW      MUW 'N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]S' non-polymer        91  45 .
MV7      MV7 '.                                   ' non-polymer       118  63 .
MVA      MVA 'N-METHYLVALINE                      ' M-peptide          21   9 .
MVB      MVB '"(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYD' non-polymer        48  22 .
MVD      MVD '2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VI' non-polymer        77  31 .
MVL      MVL '(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hy' non-polymer        27  14 .
MX1      MX1 '"(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDR' non-polymer        45  30 .
MX3      MX3 '(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUT' non-polymer        39  21 .
MX4      MX4 '{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDR' non-polymer        35  20 .
MX5      MX5 '{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)' non-polymer        40  22 .
MXA      MXA '6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PY' non-polymer        43  24 .
MXC      MXC '"(2S,3R)-2-[(7-aminocarbonyl-2-metha' non-polymer        46  29 .
MXD      MXD '6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMI' non-polymer        30  15 .
MXE      MXE '2-METHOXYETHANOL                    ' non-polymer        13   5 .
MXF      MXF '"(2S,3R)-4-(2-aminoethylcarbamoyloxy' non-polymer        50  29 .
MXG      MXG '"2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYL' non-polymer        74  40 .
MXL      MXL 'MOXALACTAM                          ' non-polymer        54  36 .
MXN      MXN '(2R)-hydroxy(phenyl)ethanenitrile   ' non-polymer        17  10 .
MXP      MXP 'Myxopyronin B                       ' non-polymer        61  30 .
MXS      MXS '"(2S)-2-[[2-methanoyl-7-(methoxycarb' non-polymer        45  27 .
MXT      MXT '1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPE' non-polymer        40  18 .
MXX      MXX '5,8-dimethoxy-1,4-dimethylquinolin-2' non-polymer        32  17 .
MXY      MXY '2-O-METHYL FUCOSE                   ' pyranose           26  12 .
MXZ      MXZ '6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPY' non-polymer        26  12 .
MY1      MY1 '[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBO' non-polymer        50  28 .
MY2      MY2 '{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-O' non-polymer        36  21 .
MY3      MY3 '[N-(3-BENZYLCARBAMOYL-OXIRANECARBONY' non-polymer        37  21 .
MY4      MY4 '"(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHEN' non-polymer        40  22 .
MY5      MY5 '"{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1' non-polymer        47  26 .
MY6      MY6 '2-amino-7-methyl-1,7-dihydro-6H-puri' non-polymer        19  12 .
MY9      MY9 '"N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4' non-polymer        86  46 .
MYA      MYA 'TETRADECANOYL-COA                   ' non-polymer       121  63 .
MYC      MYC '3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXY' non-polymer        33  23 .
MYD      MYD '"{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDR' non-polymer        72  43 .
MYE      MYE 'N2-({[(4-BROMOPHENYL)METHYL]OXY}CARB' non-polymer        56  27 .
MYF      MYF '5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHE' non-polymer        32  22 .
MYG      MYG 'GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITO' non-polymer        46  23 .
MYL      MYL 'Mycalamide A                        ' non-polymer        76  35 .
MYN      MYN '(2S)-amino[(4R)-2-amino-1,4,5,6-tetr' peptide            23  12 .
MYP      MYP '"4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBO' non-polymer        83  41 .
MYQ      MYQ '(S)-(1,2-DICARBOXYETHYLTHIO)GOLD    ' non-polymer        13  10 .
MYR      MYR 'MYRISTIC ACID                       ' non-polymer        43  16 .
MYS      MYS 'PENTADECANE                         ' non-polymer        47  15 .
MYT      MYT 'METYRAPONE                          ' non-polymer        31  17 .
MYU      MYU '3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROX' non-polymer        33  23 .
MYX      MYX '"(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYL' non-polymer        66  33 .
MYY      MYY '(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANO' non-polymer       105  42 .
MZ1      MZ1 'N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HY' non-polymer        67  39 .
MZ2      MZ2 '(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3' non-polymer        64  40 .
MZ3      MZ3 'N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3' non-polymer        71  40 .
MZ4      MZ4 'N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3' non-polymer        70  40 .
MZ5      MZ5 '(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL' non-polymer        74  37 .
MZ6      MZ6 'N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YL' non-polymer        72  39 .
MZ7      MZ7 'N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZO' non-polymer        80  40 .
MZ8      MZ8 'N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YL' non-polymer        69  38 .
MZ9      MZ9 'N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4' non-polymer        77  37 .
MZB      MZB '(1R,2R,3R,4S,5R)-4-amino-5-[(R)-meth' non-polymer        25  12 .
MZL      MZL 'N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyra' non-polymer        47  28 .
MZM      MZM '5-ACETAMIDO-4-METHYL-1,3,4-THIADIAZO' non-polymer        23  14 .
MZO      MZO 'N-(3-methoxyphenyl)-9H-purin-6-amine' non-polymer        29  18 .
MZP      MZP '4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-I' non-polymer        34  22 .
N10      N10 'O-[(HEXYLAMINO)CARBONYL]-L-SERINE   ' peptide            35  16 .
N11      N11 '6-[(7-nitro-2,1,3-benzoxadiazol-4-yl' non-polymer        35  20 .
N12      N12 'N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)MET' non-polymer        69  34 .
N16      N16 '(3Z,5S)-5-benzyl-3-[1-(phenylamino)e' non-polymer        41  23 .
N1C      N1C '.                                   ' non-polymer        53  35 .
N1H      N1H '.                                   ' non-polymer        45  30 .
N1T      N1T '.                                   ' non-polymer        43  26 .
N20      N20 '6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYA' non-polymer        46  25 .
N22      N22 '5-[3-(2,5-dimethoxyphenyl)prop-1-yn-' non-polymer        43  23 .
N23      N23 'N-[2-(2-methyl-1H-indol-3-yl)ethyl]t' non-polymer        36  20 .
N24      N24 '(2S)-2-(3-bromophenyl)-3-(5-chloro-2' non-polymer        32  21 .
N25      N25 '"1,3-BIS-(4-METHOXY-BENZENESULFONYL)' non-polymer        61  34 .
N2A      N2A 'N-[2-chloro-5-(1-{3-[4-(6-chloro-3-m' non-polymer        79  46 .
N2C      N2C 'N,S-DIMETHYLCYSTEINE                ' M-peptide          19   9 .
N2D      N2D 'N-[2-chloro-5-(1-{3-[4-(6-chloro-3-m' non-polymer        79  45 .
N2G      N2G '.                                   ' non-polymer        54  34 .
N2M      N2M '5-AMINO-NAPHTALENE-2-MONOSULFONATE  ' non-polymer        24  15 .
N2O      N2O 'NITROUS OXIDE                       ' non-polymer         3   3 .
N2P      N2P 'PENTANE-1,5-DIAMINE                 ' non-polymer        21   7 .
N2T      N2T '(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL' non-polymer        54  29 .
N30      N30 '"(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-' non-polymer        65  31 .
N31      N31 'N-[3-(1H-benzimidazol-1-yl)propanoyl' non-polymer        52  28 .
N32      N32 '"(5S)-5-({3-[(2S,4aS,8S,8aS)-8-methy' non-polymer        57  31 .
N33      N33 '.                                   ' non-polymer        73  35 .
N34      N34 'N-{3-[1-(3,3-Dimethyl-butyl)-4-hydro' non-polymer        63  34 .
N35      N35 'N-{3-[5-hydroxy-2-(3-methylbutyl)-3-' non-polymer        63  35 .
N3A      N3A '"2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR' non-polymer        58  32 .
N3B      N3B '"N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CA' non-polymer        60  38 .
N3C      N3C '"4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHY' non-polymer       101  56 .
N3D      N3D 'N-methylpropane-1,3-diamine         ' non-polymer        18   6 .
N3E      N3E '1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEO' non-polymer        45  25 .
N3H      N3H 'N-{3-[5-hydroxy-2-(3-methylbutyl)-3-' non-polymer        58  35 .
N3P      N3P 'N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)N' non-polymer        36  25 .
N3T      N3T '.                                   ' non-polymer        43  26 .
N41      N41 '4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YL' non-polymer        49  27 .
N4B      N4B 'N-BUTYLBENZENE                      ' non-polymer        24  10 .
N4D      N4D 'N,4-dimethyl-3-[(1-phenyl-1H-pyrazol' non-polymer        45  27 .
N4E      N4E 'N-(4-ethoxyphenyl)acetamide         ' non-polymer        26  13 .
N4T      N4T '(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DI' non-polymer        46  26 .
N5A      N5A '.                                   ' non-polymer        40  23 .
N5B      N5B 'N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BEN' non-polymer        30  17 .
N5C      N5C '.                                   ' non-polymer        43  32 .
N5F      N5F '"(2S)-2-[({3-hydroxy-2-methyl-5-[(ph' non-polymer        43  26 .
N5G      N5G '"N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2' non-polymer        72  38 .
N5I      N5I '1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' non-polymer        37  24 .
N5M      N5M '.                                   ' RNA                35  24 .
N5O      N5O '.                                   ' non-polymer        39  23 .
N5P      N5P '1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYD' non-polymer        45  32 .
N5T      N5T '(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIME' non-polymer        42  24 .
N69      N69 '6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H' non-polymer        44  21 .
N6C      N6C '1-nitrohexane                       ' non-polymer        22   9 .
N6G      N6G '"((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PU' RNA                37  24 .
N6R      N6R '.                                   ' non-polymer        52  31 .
N6S      N6S '.                                   ' non-polymer        52  31 .
N76      N76 '3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YL' non-polymer        50  28 .
N7O      N7O '"(S)-[(1S)-1-(5-chloro-1-benzothioph' non-polymer        43  28 .
N7P      N7P '1-ACETYL-D-PROLINE                  ' non-polymer        21  11 .
N7R      N7R 'N-[(3R,6S)-6-(2,3-difluorophenyl)-2-' non-polymer        67  40 .
N8C      N8C '1-nitrooctane                       ' non-polymer        28  11 .
N8E      N8E '3,6,9,12,15-PENTAOXATRICOSAN-1-OL   ' non-polymer        62  24 .
N8M      N8M '5'-deoxy-5'-(dimethylamino)-8-methyl' non-polymer        42  22 .
N8T      N8T 'N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YL' non-polymer        79  38 .
N9H      N9H '(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUO' non-polymer        52  28 .
NA0      NA0 '3-ACETYLPYRIDINE ADENINE DINUCLEOTID' non-polymer        74  48 .
NA1      NA1 'METHYL N-ACETYL ALLOSAMINE          ' non-polymer        33  16 .
NA3      NA3 '(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBON' non-polymer        25  17 .
NA4      NA4 '4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAM' non-polymer        37  25 .
NA7      NA7 '"[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        59  39 .
NA8      NA8 '(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHA' non-polymer        29  16 .
NA9      NA9 'N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALA' non-polymer        65  32 .
NAA      NAA 'N-ACETYL-D-ALLOSAMINE               ' pyranose           30  15 .
NAB      NAB '.                                   ' non-polymer        33  22 .
NA       NA  'SODIUM ION                          ' non-polymer         1   1 .
NAD      NAD 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE   ' non-polymer        70  44 .
NAE      NAE 'NICOTINAMIDE ADENINE DINUCLEOTIDE AC' non-polymer        78  48 .
NAF      NAF 'M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRI' non-polymer        32  17 .
NAG      NAG 'N-ACETYL-D-GLUCOSAMINE              ' pyranose           30  15 .
MAN-b-D  MAN 'beta_D_mannose                      ' pyranose           24  12 .
NAG-b-D  NAG 'beta_D_N-acetyl-Glucosamine         ' pyranose           30  15 .
FUC-a-L  FUC 'alpha_L_fucose                      ' pyranose           23  11 .
GAL-b-D  GAL 'beta_D_galactose                    ' pyranose           24  12 .
GLC-b-D  GLC 'beta_D_glucose                      ' pyranose           24  12 .
NAI      NAI '1,4-DIHYDRONICOTINAMIDE ADENINE DINU' non-polymer        71  44 .
NAJ      NAJ 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE (A' non-polymer        71  44 .
NAK      NAK 'AMINO-ACRYLATE                      ' non-polymer        11   6 .
NAL      NAL 'BETA-(2-NAPHTHYL)-ALANINE           ' peptide            28  16 .
NAM      NAM 'NAM NAPTHYLAMINOALANINE             ' non-polymer        30  16 .
NAP      NAP 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTI' non-polymer        73  48 .
NAQ      NAQ 'NICOTINAMIDE ADENINE DINUCLEOTIDE 3-' non-polymer        84  50 .
NAR      NAR 'NARINGENIN                          ' non-polymer        32  20 .
NAS      NAS '2-NAPHTHALENESULFONIC ACID          ' non-polymer        22  14 .
NAT      NAT '"ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-' non-polymer        36  20 .
NAU      NAU '4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARB' non-polymer        41  21 .
NAV      NAV '6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXA' non-polymer        38  20 .
NAX      NAX 'BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICO' non-polymer        74  45 .
NAY      NAY '6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXA' non-polymer        38  20 .
NAZ      NAZ 'N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-' non-polymer        59  34 .
NB1      NB1 '(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)' non-polymer        33  16 .
NBA      NBA '3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}' non-polymer        40  15 .
NBB      NBB 'N-BUTYL-BENZENESULFONAMIDE          ' non-polymer        29  14 .
NBC      NBC 'S-4-NITROBUTYRYL-COA                ' non-polymer        93  56 .
NBD      NBD 'N6-BENZYL-NICOTINAMIDE-ADENINE-DINUC' non-polymer        83  51 .
NBE      NBE 'NITROSOBENZENE                      ' non-polymer        13   8 .
NBF      NBF '[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLB' non-polymer        36  20 .
NBG      NBG '1-N-ACETYL-BETA-D-GLUCOSAMINE       ' pyranose           30  15 .
NBL      NBL 'N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-' non-polymer        52  26 .
NBN      NBN 'N-BUTYL ISOCYANIDE                  ' non-polymer        15   6 .
NBP      NBP 'NICOTINAMIDE 8-BROMO-ADENINE DINUCLE' non-polymer        73  49 .
NBQ      NBQ '2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METH' peptide            52  31 .
NBS      NBS '.                                   ' non-polymer        52  34 .
NBT      NBT '(2S)-2-NITROBUTANE                  ' non-polymer        16   7 .
NBU      NBU 'N-BUTANE                            ' non-polymer        14   4 .
NBV      NBV '(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETH' non-polymer        36  15 .
NBX      NBX 'N-{[(4-aminophenyl)carbonyl]carbamoy' non-polymer        43  24 .
NBY      NBY 'N-{[(4-nitrophenyl)carbonyl]carbamoy' non-polymer        43  26 .
NBZ      NBZ 'NITROBENZENE                        ' non-polymer        14   9 .
NC1      NC1 'NITROCEFIN ACYL-SERINE              ' peptide            63  42 .
NC3      NC3 'N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE' non-polymer        29  14 .
NC4      NC4 '4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}' non-polymer        35  16 .
NC5      NC5 '3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-' non-polymer        85  40 .
NC6      NC6 '6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}' non-polymer        41  18 .
NC7      NC7 '7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}' non-polymer        44  19 .
NCA      NCA 'NICOTINAMIDE                        ' non-polymer        15   9 .
NCB      NCB 'N-CARBAMOYL-ALANINE                 ' non-polymer        16   9 .
NCC      NCC '.                                   ' non-polymer        70  41 .
NCD      NCD 'N-CARBAMOYL-L-ASPARTATE             ' non-polymer        18  12 .
NCE      NCE '3,6-Bis[(3-morpholinopropionamido)] ' non-polymer        69  36 .
NCF      NCF '"(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACE' non-polymer        34  21 .
NCG      NCG '.                                   ' non-polymer       118  68 .
NCH      NCH 'P-NITROPHENYL-PHOSPHOCHOLINE        ' non-polymer        37  20 .
NCI      NCI '3,6-Bis{3-[(2R)-(2-ethylpiperidino)]' non-polymer        85  40 .
N        N   '.                                   ' RNA                22  13 .
NCJ      NCJ '3,6-Bis{3-[(2R)-2-methylpiperidino)]' non-polymer        79  38 .
NCK      NCK '3,6-Bis[3-(4-methylpiperidino)propio' non-polymer        79  38 .
NCL      NCL '3,6-Bis{3-(3-[(3R)-methylpiperidino)' non-polymer        79  38 .
NCM      NCM 'NORCAMPHOR                          ' non-polymer        18   8 .
NCN      NCN 'NICOTINATE MONONUCLEOTIDE           ' non-polymer        34  22 .
NCO      NCO 'COBALT HEXAMMINE(III)               ' non-polymer        25   7 .
NCP      NCP 'CIS-DIAMINODICHLOROPLATINUM         ' non-polymer         9   5 .
NCQ      NCQ '3,6-Bis[3-(azepan-1-yl)propionamido]' non-polymer        79  38 .
NCR      NCR '2-NITRO-P-CRESOL                    ' non-polymer        18  11 .
NCS      NCS '.                                   ' non-polymer        84  48 .
NCT      NCT '(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRID' non-polymer        26  12 .
NCV      NCV 'N-Methyl-6-(1,3-dihydroxy-isobutyl)t' non-polymer        32  16 .
NCW      NCW '(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-' non-polymer        50  22 .
NCX      NCX '"1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                41  27 .
NCY      NCY 'N-METHYLCYSTEINE                    ' M-peptide          16   8 .
NCZ      NCZ '"2-HYDROXY-7-METHOXY-5-METHYL-NAPHTH' non-polymer        42  24 .
ND4      ND4 'AMMONIUM CATION WITH D              ' non-polymer        13   5 .
NDA      NDA '3-AMINOMETHYL-PYRIDINIUM-ADENINE-DIN' non-polymer        71  43 .
NDB      NDB 'N-(2-hydroxyethyl)-N,N-dimethyl-3-su' non-polymer        31  13 .
NDC      NDC 'NICOTINAMIDE ADENINE DINUCLEOTIDE CY' non-polymer        85  51 .
NDD      NDD '2,6-DICARBOXYNAPHTHALENE            ' non-polymer        22  16 .
NDE      NDE '.                                   ' non-polymer        83  54 .
NDF      NDF 'N-(CARBOXYCARBONYL)-D-PHENYLALANINE ' non-polymer        26  17 .
NDG      NDG '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYR' pyranose           30  15 .
NDH      NDH '(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYD' non-polymer        22  12 .
NDL      NDL 'N-BENZOYL-L-NORLEUCYL-L-LYSYL-L-ARGI' non-polymer       100  48 .
NDM      NDM '7,9-DIMETHYLGUANINE                 ' non-polymer        27  13 .
NDN      NDN '.                                   ' non-polymer        33  23 .
NDO      NDO 'NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-AD' non-polymer        72  48 .
NDP      NDP 'NADPH DIHYDRO-NICOTINAMIDE-ADENINE-D' non-polymer        74  48 .
NDR      NDR '(14beta,17alpha)-17-ethynyl-17-hydro' non-polymer        48  22 .
NDS      NDS 'ETHYL DIMETHYL AMMONIO PROPANE SULFO' non-polymer        29  12 .
NDT      NDT '2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1' non-polymer        34  21 .
NDU      NDU '.                                   ' DNA                35  23 .
NDZ      NDZ '"(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-' non-polymer        35  20 .
NE1      NE1 '2',3,3',4',5-PENTACHLOROBIPHENYL-4-O' non-polymer        23  18 .
NE2      NE2 '3,3',4',5-TETRACHLOROBIPHENYL-4-OL  ' non-polymer        23  17 .
NE6      NE6 '"methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-' non-polymer        61  30 .
NE8      NE8 '6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDR' non-polymer        38  23 .
NEA      NEA '5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADEN' non-polymer        40  22 .
NEB      NEB '2-DEOXY-D-STREPTAMINE               ' non-polymer        26  11 .
NEC      NEC '.                                   ' non-polymer        38  22 .
NEG      NEG 'NEGAMYCIN                           ' non-polymer        36  17 .
NEH      NEH 'ETHANAMINE                          ' non-polymer        10   3 .
NEI      NEI '(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-P' non-polymer        38  23 .
NEN      NEN '1-ETHYL-PYRROLIDINE-2,5-DIONE       ' non-polymer        18   9 .
NEO      NEO 'NEOPTERIN                           ' non-polymer        29  18 .
NEP      NEP 'N1-PHOSPHONOHISTIDINE               ' peptide            24  15 .
NEQ      NEQ 'N-ETHYLMALEIMIDE                    ' non-polymer        16   9 .
NER      NER '(15E)-TETRACOS-15-ENOIC ACID        ' non-polymer        71  26 .
NES      NES '2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETH' non-polymer        29  14 .
NET      NET 'TETRAETHYLAMMONIUM ION              ' non-polymer        29   9 .
NEU      NEU 'L-NEOPTERIN                         ' non-polymer        29  18 .
NEX      NEX '.                                   ' non-polymer       100  44 .
NEZ      NEZ '6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-' non-polymer        41  24 .
NF2      NF2 '(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-M' RNA                35  22 .
NFA      NFA 'PHENYLALANINE AMIDE                 ' non-polymer        24  12 .
NFC      NFC 'NI-FE ACTIVE CENTER A-FORM          ' non-polymer        12  10 .
NF       NF  'N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHA' non-polymer        69  39 .
NFD      NFD 'Nicotinamide 2-fluoro-adenine dinucl' non-polymer        70  45 .
NFE      NFE 'NI-FE ACTIVE CENTER                 ' non-polymer        10   9 .
NFG      NFG '2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-B' non-polymer        37  24 .
NFL      NFL '2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}' non-polymer        28  20 .
NFM      NFM 'N-[(4-amino-2-methylpyrimidin-5-yl)m' non-polymer        22  12 .
NFN      NFN '6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONY' non-polymer        50  29 .
NFO      NFO 'NI-FE OXIDIZED ACTIVE CENTER        ' non-polymer        11   9 .
NFP      NFP '(1E,3S)-5-phenyl-1-(phenylsulfonyl)p' non-polymer        40  21 .
NFR      NFR 'NI-FE REDUCED ACTIVE CENTER         ' non-polymer        10   8 .
NFS      NFS 'FE(4)-NI(1)-S(5) CLUSTER            ' non-polymer        14  10 .
NFT      NFT '"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(' non-polymer        62  33 .
NFV      NFV 'NI-FE OXIDIZED ACTIVE CENTER        ' non-polymer         9   9 .
NFX      NFX '"7-[(3R)-3-aminopyrrolidin-1-yl]-8-c' non-polymer        41  25 .
NFZ      NFZ 'NITROFURAZONE                       ' non-polymer        20  14 .
NG1      NG1 'N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHO' pyranose           33  19 .
NG6      NG6 'N-ACETYL-D-GALACTOSAMINE 6-SULFATE  ' pyranose           34  19 .
NGA      NGA 'N-ACETYL-D-GALACTOSAMINE            ' pyranose           30  15 .
NGC      NGC '"3,5-dideoxy-5-[(hydroxyacetyl)amino' pyranose           40  22 .
NGD      NGD '.                                   ' non-polymer        71  45 .
NGH      NGH 'N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONY' non-polymer        41  21 .
NGK      NGK '2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-AL' non-polymer        34  19 .
NGM      NGM 'NOGALAMYCIN                         ' non-polymer       105  56 .
NGO      NGO '2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-AL' non-polymer        28  14 .
NGP      NGP 'NOGALAMYCIN (PROTONATED FORM)       ' non-polymer       108  56 .
NGR      NGR '3-O-alpha-D-glucopyranosyl-alpha-D-g' non-polymer        45  23 .
NGS      NGS '2-(acetylamino)-2-deoxy-6-O-sulfo-be' pyranose           34  19 .
NGT      NGT '3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-M' non-polymer        27  14 .
NGU      NGU 'U-58872, HYDROXY DERIVATIVE OF NOGAL' non-polymer       106  57 .
NGV      NGV '"METHYL 5,7-DIHYDROXY-2-METHYL-4,6,1' non-polymer        42  28 .
NGY      NGY '2-(acetylamino)-2-deoxy-6-O-sulfo-al' pyranose           34  19 .
NGZ      NGZ '2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GLUC' non-polymer        30  15 .
NH1      NH1 '3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHE' non-polymer        72  35 .
NH2      NH2 'AMINO GROUP                         ' non-polymer         4   1 .
NH3      NH3 'AMMONIA                             ' non-polymer         4   1 .
NH4      NH4 'AMMONIUM ION                        ' non-polymer         5   1 .
NH7      NH7 '2-[(S)-(4-chlorophenyl)(hydroxy)(1-m' non-polymer        66  39 .
NH8      NH8 '3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1' non-polymer        53  36 .
NHB      NHB 'N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)' non-polymer        41  26 .
NHC      NHC '(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicy' non-polymer        27  15 .
NHD      NHD 'NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE' non-polymer        69  44 .
NHE      NHE '2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC' non-polymer        30  13 .
NHF      NHF '1,5-anhydro-D-fructose              ' pyranose           21  11 .
NHK      NHK 'N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~' non-polymer        36  20 .
NHL      NHL '(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC' peptide            36  21 .
NHM      NHM 'S-(2-OXO)PENTADECYLCOA              ' non-polymer       124  64 .
NHN      NHN '.                                   ' non-polymer       113  57 .
NHO      NHO 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-' non-polymer        86  54 .
NHP      NHP '4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONI' non-polymer        32  16 .
NHQ      NHQ '.                                   ' non-polymer       123  65 .
NHR      NHR '"2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOL' non-polymer        54  35 .
NHS      NHS '10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID ' non-polymer        54  35 .
NHT      NHT '(3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-' non-polymer        32  16 .
NHV      NHV '(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hy' non-polymer        42  22 .
NHX      NHX 'N-{(2R)-2-[2-(hydroxyamino)-2-oxoeth' non-polymer        65  33 .
NHY      NHY 'N-HYDROXYUREA                       ' non-polymer         9   5 .
NI9      NI9 '3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHON' non-polymer        29  18 .
NIA      NIA '"((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1' non-polymer        33  22 .
NIC      NIC 'NITROISOCITRIC ACID                 ' non-polymer        18  13 .
NI       NI  'NICKEL (II) ION                     ' non-polymer         1   1 .
NID      NID '4-NITRO-INDEN-1-ONE                 ' non-polymer        18  13 .
NIE      NIE 'nitroethane                         ' non-polymer        10   5 .
NIG      NIG 'N-(IMINOMETHYL)-L-GLUTAMIC ACID     ' non-polymer        20  12 .
NII      NII '2,7-bis[3-(dimethylamino)propyl]-4,9' non-polymer        84  42 .
NIL      NIL 'Nilotinib                           ' non-polymer        61  39 .
NIM      NIM '4-NITRO-2-PHENOXYMETHANESULFONANILID' non-polymer        33  21 .
NIN      NIN 'DINITROPHENYLENE                    ' non-polymer        16  12 .
NIO      NIO 'NICOTINIC ACID                      ' non-polymer        13   9 .
NIP      NIP '4-HYDROXY-5-IODO-3-NITROPHENYLACETYL' non-polymer        39  23 .
NIR      NIR '3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-' non-polymer        35  17 .
NIS      NIS '2-NITROPROPANE                      ' non-polymer        13   6 .
NIT      NIT '4-NITROANILINE                      ' non-polymer        16  10 .
NIU      NIU '6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PH' non-polymer        44  22 .
NIX      NIX 'NALIDIXIC ACID                      ' non-polymer        28  17 .
NIY      NIY 'META-NITRO-TYROSINE                 ' .                  26  16 .
NIZ      NIZ 'pyridine-4-carbohydrazide           ' non-polymer        17  10 .
NJ8      NJ8 '3-chloro-4-(2-hydroxy-4-propylphenox' non-polymer        34  20 .
NK1      NK1 '(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.' non-polymer        28  12 .
NK2      NK2 '(1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0' non-polymer        27  11 .
NK       NK  'SALICYLALDEHYDE                     ' non-polymer        15   9 .
NKK      NKK 'N~2~-(naphthalen-2-ylcarbonyl)-L-lys' non-polymer        85  41 .
NKS      NKS 'N-(3-{[2-(4-chlorophenyl)-5-methyl-1' non-polymer        61  37 .
NKX      NKX '"(2S)-2,3-bis(nitrooxy)propyl ethyl[' non-polymer        53  33 .
NLA      NLA 'NAPHTHALEN-1-YL-ACETIC ACID         ' non-polymer        23  14 .
NLC      NLC '2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-G' non-polymer        51  26 .
NLE      NLE 'NORLEUCINE                          ' peptide            21   9 .
NLG      NLG 'N-ACETYL-L-GLUTAMATE                ' non-polymer        22  13 .
NLH      NLH '(2R,5S)-5-amino-2-butyl-4,4-dihydrox' non-polymer        44  18 .
NLK      NLK '(2R,5S)-5-amino-2-butyl-4-oxononanoi' non-polymer        41  17 .
NLN      NLN 'NORLEUCINE AMIDE                    ' non-polymer        23   9 .
NLO      NLO 'O-METHYL-L-NORLEUCINE               ' non-polymer        25  10 .
NLP      NLP '(1-AMINO-PENTYL)-PHOSPHONIC ACID    ' non-polymer        24  10 .
NLQ      NLQ 'N~2~-ACETYL-L-GLUTAMINE             ' non-polymer        24  13 .
NLT      NLT 'N-DODECANOYL-L-TYROSINE             ' non-polymer        58  26 .
NLX      NLX '(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17' non-polymer        49  25 .
NM1      NM1 '3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-' non-polymer        82  45 .
NM2      NM2 '3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AM' non-polymer        25  10 .
NMA      NMA 'N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer        38  22 .
NMB      NMB '2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENO' non-polymer        75  41 .
NMC      NMC 'N-CYCLOPROPYLMETHYL GLYCINE         ' M-peptide          19   9 .
NMD      NMD 'N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIME' non-polymer        72  42 .
NME      NME 'METHYLAMINE                         ' non-polymer         7   2 .
NMG      NMG 'GUANIDINO ACETATE                   ' non-polymer        14   8 .
NMH      NMH '(R)-N-(1-METHYL-HEXYL)-FORMAMIDE    ' non-polymer        27  10 .
NML      NML 'N-METHYLACETAMIDE                   ' non-polymer        12   5 .
NMM      NMM '(2S)-2-amino-5-[(N-methylcarbamimido' peptide            28  13 .
NMN      NMN 'BETA-NICOTINAMIDE RIBOSE MONOPHOSPHA' non-polymer        36  22 .
NMP      NMP '2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETY' non-polymer        59  27 .
NMQ      NMQ 'N-METHYL O-NITROPHENYL AMINOETHYLDIP' non-polymer        37  26 .
NMS      NMS '"1-(O2-(2-METHYLAMINO-2-OXO-ETHYL)-O' DNA                45  27 .
NMT      NMT '1-(O2-(METHYLCARBAMOYL)-O5-HYDROXYPH' DNA                44  26 .
NMU      NMU 'N-METHYLUREA                        ' non-polymer        11   5 .
NMX      NMX 'NITROMETHYLDETHIA COENZYME A        ' non-polymer        84  51 .
NMY      NMY 'NEOMYCIN                            ' non-polymer        88  42 .
NN1      NN1 '2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHY' non-polymer        56  29 .
NN2      NN2 '1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXID' non-polymer        48  30 .
NN3      NN3 '"3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHE' non-polymer        53  27 .
NN4      NN4 '(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHE' non-polymer        58  28 .
NNB      NNB '"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoi' non-polymer        37  24 .
NNC      NNC '"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoi' non-polymer        37  24 .
NND      NND '(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NO' non-polymer        51  20 .
NNF      NNF '2-[4-(4-fluorophenyl)piperazin-1-yl]' non-polymer        38  21 .
NNG      NNG '2-DEOXY-2-{[(S)-HYDROXY(METHYL)PHOSP' non-polymer        35  20 .
NNH      NNH 'NOR-N-OMEGA-HYDROXY-L-ARGININE      ' peptide            23  12 .
NNI      NNI '"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoi' non-polymer        37  24 .
NNL      NNL 'N-[2-(4-chlorophenyl)ethyl]-6-methyl' non-polymer        34  20 .
NNN      NNN '(2R)-2-{[4-(benzylamino)-8-(1-methyl' non-polymer        52  26 .
NNO      NNO '6-HYDROXYISONICOTINIC ACID N-OXIDE  ' non-polymer        15  11 .
NNR      NNR 'Nicotinamide riboside               ' non-polymer        33  18 .
NO1      NO1 '4-(hydroxymethyl)-3-methyl-1H-indole' non-polymer        25  15 .
NO2      NO2 'NITRITE ION                         ' non-polymer         3   3 .
NO3      NO3 'NITRATE ION                         ' non-polymer         4   4 .
NOA      NOA 'NAPHTHYLOXYACETIC ACID              ' non-polymer        24  15 .
NOB      NOB '(dihydroxyboranyloxy-hydroxy-boranyl' non-polymer        11   8 .
NOC      NOC '3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETH' non-polymer        34  19 .
NO       NO  'NITRIC OXIDE                        ' non-polymer         3   2 .
NOD      NOD 'N-ETHYLHYDROXY-DOXORUBICIN          ' non-polymer        75  42 .
NOE      NOE 'NITROSOETHANE                       ' non-polymer         9   4 .
NOG      NOG '13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BE' non-polymer        51  23 .
NOJ      NOJ '1-DEOXYNOJIRIMYCIN                  ' non-polymer        24  11 .
NOK      NOK '2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN   ' non-polymer        30  14 .
NOL      NOL 'N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTY' non-polymer        93  43 .
NOM      NOM '7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAH' non-polymer        34  22 .
NON      NON 'METHYL NONANOATE (ESTER)            ' non-polymer        32  12 .
NOP      NOP 'PYRIDOXAL-5'-PHOSPHATE-N-OXIDE      ' non-polymer        25  17 .
NOQ      NOQ '(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METH' non-polymer        50  24 .
NOR      NOR 'CYCLOHEXYL-NORSTATINE               ' non-polymer        42  17 .
NOS      NOS 'INOSINE                             ' non-polymer        31  19 .
NOT      NOT '6-azido-L-norleucine                ' peptide            23  12 .
NOV      NOV 'NOVOBIOCIN                          ' non-polymer        80  44 .
NOW      NOW 'Nalpha-[(3-tert-butyl-1-methyl-1H-py' non-polymer        57  28 .
NOX      NOX 'N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIP' non-polymer        49  24 .
NOY      NOY '(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPER' non-polymer        24  11 .
NP1      NP1 'N-(3-AMINOPROPYL)-4-METHYL-2-NITROBE' non-polymer        30  15 .
NP2      NP2 'N-(3-AMINOPROPYL)-2-NITROBENZENAMINE' non-polymer        27  14 .
NP3      NP3 '1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITR' non-polymer        31  20 .
NP4      NP4 '(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8' non-polymer        39  22 .
NP5      NP5 '(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8' non-polymer        39  22 .
NP6      NP6 '"[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4' non-polymer        50  27 .
NPA      NPA '2-(4-HYDROXY-3-NITROPHENYL)ACETIC AC' non-polymer        20  14 .
NPB      NPB '3-NITROPHENYLBORONIC ACID           ' non-polymer        18  12 .
NPC      NPC '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer        39  22 .
NP       NP  '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer        39  22 .
NPD      NPD '2-METHYL-3-NAPHTHALEN-1-YL-PROPIONAL' non-polymer        29  15 .
NPE      NPE '5-(PARA-NITROPHENYL PHOSPHONATE)-PEN' non-polymer        32  20 .
NPF      NPF 'ORTHONITROPHENYL-BETA-D-FUCOPYRANOSI' non-polymer        35  20 .
NPG      NPG 'N-SUCCINYL PHENYLGLYCINE            ' non-polymer        29  18 .
NPH      NPH 'CYSTEINE-METHYLENE-CARBAMOYL-1,10-PH' peptide            40  25 .
NPI      NPI '2-AMINOPIMELIC ACID                 ' non-polymer        23  12 .
NPJ      NPJ '4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRAN' non-polymer        57  32 .
NPL      NPL 'N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5' non-polymer        31  17 .
NPM      NPM 'N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-' non-polymer        49  29 .
NPN      NPN 'N-PROPYL ISOCYANIDE                 ' non-polymer        12   5 .
NPO      NPO 'P-NITROPHENOL                       ' non-polymer        15  10 .
NPP      NPP '"N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2' non-polymer        55  28 .
NPR      NPR '2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDR' non-polymer        31  18 .
NPS      NPS '(2S)-2-(6-methoxynaphthalen-2-yl)pro' non-polymer        30  17 .
NPT      NPT 'NEOPENTYLAMINE                      ' non-polymer        19   6 .
NPV      NPV '4-[8-(3-nitrophenyl)-1,7-naphthyridi' non-polymer        40  28 .
NPY      NPY 'NAPHTHALENE                         ' non-polymer        18  10 .
NPZ      NPZ '1-methyl-3-naphthalen-2-yl-1H-pyrazo' non-polymer        34  21 .
NQ       NQ  '2-HYDROXYNAPHTHOQUINONE             ' non-polymer        19  13 .
NQG      NQG '5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYD' non-polymer        83  44 .
NQI      NQI 'N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDRO' non-polymer        83  43 .
NR2      NR2 'N-({[4-(AMINOSULFONYL)PHENYL]AMINO}C' non-polymer        39  24 .
NR3      NR3 '"(1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)' non-polymer        51  26 .
NR4      NR4 '"(1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)' non-polymer        51  26 .
NR9      NR9 '(5Z)-5-(quinolin-6-ylmethylidene)-2-' non-polymer        37  24 .
NRB      NRB 'NARBOMYCIN                          ' non-polymer        83  36 .
NRG      NRG 'N-OMEGA-NITRO-L-ARGININE            ' non-polymer        27  15 .
NRI      NRI 'PHOSPHORIC ACID MONO-(4-HYDROXY-PYRR' non-polymer        22  12 .
NRM      NRM 'N-(3-methylisothiazol-5-yl)-3-(1H-py' non-polymer        32  21 .
NRO      NRO '3-[5-(2-nitropent-1-en-1-yl)furan-2-' non-polymer        36  22 .
NRP      NRP '"{4-[(4-hydroxyphenyl)methylidene]-2' non-polymer        42  24 .
NRQ      NRQ '"{(4Z)-4-(4-hydroxybenzylidene)-2-[3' non-polymer        40  24 .
NRT      NRT '6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-P' non-polymer        30  17 .
NRU      NRU 'RUTHENIUM (III) HEXAAMINE ION       ' non-polymer        25   7 .
NS1      NS1 '15-trans-1,2-dihydroneurosporene    ' non-polymer       100  40 .
NS3      NS3 '"(3S)-3-cyclopentyl-6-methyl-7-[(4-m' non-polymer        56  28 .
NS5      NS5 '15-cis-1,2-dihydroneurosporene      ' non-polymer       100  40 .
NS6      NS6 '"(3R)-3-cyclopentyl-7-[(4-methylpipe' non-polymer        54  27 .
NS7      NS7 '"(3R)-3-cyclopentyl-6-methyl-7-[(4-m' non-polymer        57  28 .
NSA      NSA '2,2-DICHLORO-N-PHENYL-ACETAMIDE     ' non-polymer        19  12 .
NSB      NSB 'N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMIN' non-polymer        27  11 .
NSC      NSC 'N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-' non-polymer        48  28 .
NSD      NSD 'N-(3-aminopropyl)propane-1,3-diamine' non-polymer        26   9 .
NSH      NSH 'Nosiheptide                         ' non-polymer       125  82 .
NSI      NSI '3-(4-METHOXYPHENYL)-N-(PHENYLSULFONY' non-polymer        63  40 .
NSK      NSK 'N-SUCCINYL LYSINE                   ' non-polymer        33  17 .
NSM      NSM 'NITROSOMETHANE                      ' non-polymer         6   3 .
NSN      NSN 'N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDE' non-polymer        25  14 .
NSP      NSP '5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-' non-polymer        20  10 .
NSS      NSS '5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADE' non-polymer        52  31 .
NST      NST '3-{[(3-NITROANILINE]SULFONYL}THIOPHE' non-polymer        28  21 .
NSX      NSX 'N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L' non-polymer       135  71 .
NSY      NSY 'N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L' non-polymer       134  70 .
NSZ      NSZ 'N-(biphenyl-4-ylacetyl)-S-methyl-L-c' non-polymer       102  53 .
NT1      NT1 'HEPARIN HEPTASACCHARIDE             ' non-polymer       213 115 .
NT2      NT2 '2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE   ' non-polymer        40  28 .
NTA      NTA 'NITRILOTRIACETIC ACID               ' non-polymer        19  13 .
NTB      NTB 'TERTIARY-BUTYLAMINE                 ' non-polymer        16   5 .
NTC      NTC '2-HYDROXY-2-NITROMETHYL SUCCINIC ACI' non-polymer        18  13 .
NT       NT  'NETROPSIN                           ' non-polymer        57  31 .
NTD      NTD '2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHY' non-polymer        33  23 .
NTF      NTF 'N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANO' pyranose           30  18 .
NTH      NTH '"SUCCINIC ACID MONO-(13-METHYL-3-OXO' non-polymer        56  27 .
NTJ      NTJ 'R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE ' non-polymer        20   8 .
NTM      NTM 'QUINOLINIC ACID                     ' non-polymer        15  12 .
NTN      NTN 'ISONICOTINAMIDINE                   ' non-polymer        16   9 .
NTO      NTO 'TRISULFOAMINO HEPARIN PENTASACCHARID' non-polymer       142  91 .
NTP      NTP 'HEPARIN PENTASACCHARIDE             ' non-polymer       158 100 .
NTS      NTS 'NAPHTHALENE TRISULFONATE            ' non-polymer        27  22 .
NTU      NTU 'N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)T' non-polymer        62  24 .
NTZ      NTZ 'NOJIRIMYCINE TETRAZOLE              ' non-polymer        24  14 .
NU1      NU1 '8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLI' non-polymer        21  13 .
NU5      NU5 '3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H' non-polymer        66  34 .
NUP      NUP '.                                   ' non-polymer        34  22 .
NVA      NVA 'NORVALINE                           ' peptide            18   8 .
NVB      NVB 'N-methyl-4-[3-(3,4,5-trimethoxypheny' non-polymer        56  33 .
NVC      NVC 'N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2' non-polymer        51  26 .
NVG      NVG '4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-' non-polymer        52  30 .
NVI      NVI '1-VINYLIMIDAZOLE                    ' non-polymer        14   7 .
NVP      NVP '"11-CYCLOPROPYL-5,11-DIHYDRO-4-METHY' non-polymer        34  20 .
NW1      NW1 '6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRI' non-polymer        35  18 .
NWA      NWA '4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-' non-polymer        31  11 .
NXA      NXA 'N-CARBOXYALANINE                    ' non-polymer        15   9 .
NXC      NXC '"(2,6-bis[(dimethylamino-kappaN)meth' non-polymer        67  34 .
NXD      NXD '"METHYL 5-(ACETYLAMINO)-9-{[AMINO(OX' non-polymer        49  27 .
NXN      NXN '2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAP' non-polymer        27  16 .
NXX      NXX '.                                   ' non-polymer        68  44 .
NYA      NYA '(1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-h' non-polymer        87  37 .
NYB      NYB 'N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-C' M-peptide          28  12 .
NYC      NYC '"[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYP' non-polymer        42  25 .
NYG      NYG '"[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROP' non-polymer        39  24 .
NYH      NYH '1-nitrocyclohexene                  ' non-polymer        18   9 .
NYL      NYL 'N-ALLYL-ANILINE                     ' non-polymer        21  10 .
NYM      NYM '.                                   ' non-polymer        35  21 .
NYP      NYP 'N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROP' non-polymer        30  12 .
NYS      NYS 'S-{5-[(1R)-2-amino-1-hydroxyethyl]-2' peptide            34  19 .
NYT      NYT '"beta-D-fructofuranosyl-(2->1)-beta-' pyranose           87  45 .
NZA      NZA '5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENY' non-polymer        42  28 .
NZH      NZH '(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL' non-polymer        24  15 .
NZO      NZO 'nocodazole                          ' non-polymer        32  21 .
NZQ      NZQ '5,6-DIHYDROXY-NADP                  ' non-polymer        78  50 .
O04      O04 '(E)-4-((tetrahydro-2H-pyran-2-yloxyi' non-polymer        35  18 .
O09      O09 '(E)-2-(4-carbamimidoylbenzylideneami' non-polymer        26  16 .
O12      O12 'N~5~-dodecanoyl-L-ornithine         ' peptide            55  22 .
O13      O13 '(E)-4-((1-methylpiperidin-3-yloxyimi' non-polymer        39  19 .
O14      O14 '(E)-4-((1-methylpiperidin-4-yloxyimi' non-polymer        39  19 .
O15      O15 '(E)-2-(4-carbamimidoylbenzylideneami' non-polymer        32  18 .
O16      O16 '3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIO' non-polymer        50  34 .
O1C      O1C '2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-D' non-polymer        84  34 .
O25      O25 '2-[({4-[(ethylamino)methyl]-3-(trifl' non-polymer        51  29 .
O26      O26 '2-[({3-tert-butyl-4-[(methylamino)me' non-polymer        57  28 .
O27      O27 'N-[(3R)-pyrrolidin-3-yl]-2-({[3-(tri' non-polymer        62  34 .
O28      O28 '2-({[3-(trifluoromethyl)-4,5,6,7-tet' non-polymer        50  29 .
O29      O29 'N-[2-(dimethylamino)ethyl]-2-({[3-(t' non-polymer        64  34 .
O2C      O2C '3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE  ' non-polymer        32  20 .
O2G      O2G '2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OX' RNA                41  25 .
O30      O30 'N-(3-aminopropyl)-2-({[3-(trifluorom' non-polymer        61  33 .
O33      O33 '(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydr' non-polymer        99  54 .
O40      O40 '"4-{[methyl(3-{[7-propyl-3-(trifluor' non-polymer        57  34 .
O48      O48 'decyl sulfamate                     ' non-polymer        38  15 .
O59      O59 'octane-1,8-diyl disulfamate         ' non-polymer        38  18 .
O60      O60 'decane-1,10-diyl disulfamate        ' non-polymer        44  20 .
O62      O62 '"6-(4-{[3-(2,6-dichlorophenyl)-5-(1-' non-polymer        59  37 .
O75      O75 'N-benzyl-3-(2-cyano-6-propylpyrimidi' non-polymer        64  36 .
O8A      O8A 'N-cyclopropyl-5-[2-methyl-5-(trifluo' non-polymer        40  26 .
O8G      O8G '1-(azidoacetyl)-4-(3-thiophen-2-yl-1' non-polymer        36  22 .
O8H      O8H '4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen' non-polymer        58  36 .
O8M      O8M '2-[{[(2R,3S,4R,5R)-5-(6-amino-8-meth' non-polymer        46  25 .
O90      O90 '"{3-chloro-4-[(3-{[7-propyl-3-(trifl' non-polymer        52  32 .
OA1      OA1 '(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPH' non-polymer        22  15 .
OA2      OA2 '2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OX' non-polymer        40  23 .
OA3      OA3 '4-amino-7,7-dimethyl-7,8-dihydroquin' non-polymer        27  14 .
OA4      OA4 '5-methyl-6-phenylquinazoline-2,4-dia' non-polymer        33  19 .
OA5      OA5 '6-(2-phenoxyethoxy)-1,3,5-triazine-2' non-polymer        31  18 .
OAA      OAA 'OXALOACETATE ION                    ' non-polymer        11   9 .
OAC      OAC 'TRANS-O-HYDROXY-ALPHA-METHYL CINNAMA' non-polymer        24  13 .
OAD      OAD '.                                   ' non-polymer        62  39 .
OAF      OAF '2,2-difluoro-3,3-dihydroxybutanedioi' non-polymer        14  12 .
OAI      OAI '6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXY' non-polymer        24  18 .
OAK      OAK 'N-(phenylcarbonyl)-beta-D-glucopyran' non-polymer        37  20 .
OAL      OAL '(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYD' non-polymer        31  22 .
OAN      OAN 'O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANO' non-polymer        44  25 .
OAP      OAP '"4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]' non-polymer        72  36 .
OAR      OAR 'N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDI' non-polymer        27  11 .
OAS      OAS 'O-ACETYLSERINE                      ' peptide            18  10 .
OAW      OAW '2-amino-4-methyl-8-(1-methylethyl)-6' non-polymer        36  21 .
OBA      OBA '2-(OXALYL-AMINO)-BENZOIC ACID       ' non-polymer        20  15 .
OBE      OBE '3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-' non-polymer        41  22 .
OBF      OBF '(2S)-2-amino-4,4-difluorobutanoic ac' peptide            15   9 .
OBI      OBI '1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYR' non-polymer        37  21 .
OBN      OBN 'OUABAIN                             ' non-polymer        85  41 .
OBP      OBP '.                                   ' non-polymer        26  16 .
OBS      OBS '"(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)' peptide            49  26 .
OBZ      OBZ 'O-benzylhydroxylamine               ' non-polymer        18   9 .
OC9      OC9 'OCTAN-1-OL                          ' non-polymer        27   9 .
OCA      OCA 'OCTANOIC ACID (CAPRYLIC ACID)       ' non-polymer        25  10 .
OCB      OCB 'OCTANOYLCARNITINE                   ' non-polymer        49  20 .
OCC      OCC '2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-' non-polymer        85  35 .
OCG      OCG '5-amino-N-[5-(isoxazol-3-ylcarbamoyl' non-polymer        48  30 .
OCH      OCH 'QUINOLIN-2(1H)-ONE                  ' non-polymer        18  11 .
O        O   'OXYGEN ATOM                         ' non-polymer         1   1 .
OCP      OCP 'OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLC' non-polymer        98  39 .
OCQ      OCQ '(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXO' non-polymer        27  13 .
OCR      OCR '(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,1' non-polymer        52  23 .
OCS      OCS 'CYSTEINESULFONIC ACID               ' peptide            16  10 .
OCT      OCT 'N-OCTANE                            ' non-polymer        26   8 .
OCV      OCV 'N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYL' non-polymer        46  24 .
OCX      OCX '(5E,11E,14E)-8-oxoicosa-5,9,11,14-te' non-polymer        52  23 .
OCY      OCY 'HYDROXYETHYLCYSTEINE                ' peptide            20  10 .
ODA      ODA '9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZ' non-polymer        31  17 .
ODD      ODD '(10E,12Z)-OCTADECA-10,12-DIENOIC ACI' non-polymer        51  20 .
ODE      ODE '"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYD' non-polymer        55  31 .
ODI      ODI 'OCTANE-1,8-DIOL                     ' non-polymer        28  10 .
ODK      ODK '3-pyridin-2-yl-1H-pyrazole-5-carboxy' non-polymer        20  14 .
ODP      ODP '4-OXO-NICOTINAMIDE-ADENINE DINUCLEOT' non-polymer        74  49 .
ODS      ODS '4-methylpiperazine-1-carboxylic acid' non-polymer        22  10 .
ODT      ODT '(11E,13E,15Z)-OCTADECA-11,13,15-TRIE' non-polymer        49  20 .
OEC      OEC 'OXYGEN EVOLVING SYSTEM              ' non-polymer         9   9 .
OEF      OEF '3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)B' non-polymer        41  24 .
OEG      OEG '.                                   ' non-polymer        13   9 .
OES      OES 'N-OCTYL-2-HYDROXYETHYL SULFOXIDE    ' non-polymer        35  13 .
OEV      OEV '(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(o' non-polymer        49  20 .
OFF      OFF '2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENY' non-polymer        51  33 .
OFI      OFI 'N-[6-(4-hydroxyphenyl)-1H-indazol-3-' non-polymer        39  22 .
OFL      OFL 'O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ' non-polymer        29  20 .
OFO      OFO 'HYDROXY DIIRON-OXO MOIETY           ' non-polymer         5   4 .
OGA      OGA 'N-OXALYLGLYCINE                     ' non-polymer        13  10 .
OGG      OGG '2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAM' non-polymer        24  12 .
OGK      OGK '"(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS' non-polymer        49  23 .
OGX      OGX '2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfan' non-polymer        46  27 .
OHA      OHA '10-oxohexadecanoic acid             ' non-polymer        48  19 .
OH       OH  'HYDROXIDE ION                       ' non-polymer         2   1 .
OHH      OHH '"2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERI' non-polymer        84  49 .
OHI      OHI '3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE' peptide            18  12 .
OHM      OHM '3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]D' non-polymer        49  21 .
OHN      OHN 'N-3-OXO-DODECANOYL-L-HOMOSERINE LACT' non-polymer        48  21 .
OHO      OHO 'CYCLOHEXANE AMINOCARBOXYLIC ACID    ' non-polymer        23  10 .
OHP      OHP '(2-HYDROXYPHENYL)ACETIC ACID        ' non-polymer        18  11 .
OHS      OHS 'O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERI' peptide            19  13 .
OHT      OHT '4-HYDROXYTAMOXIFEN                  ' non-polymer        58  29 .
OI1      OI1 '3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYD' non-polymer        75  40 .
OI7      OI7 '1,7-di-O-phosphono-beta-D-altro-hept' non-polymer        34  22 .
OIC      OIC 'OCTAHYDROINDOLE-2-CARBOXYLIC ACID   ' P-peptide          26  12 .
OID      OID '10-(1H-imidazol-1-yl)decanoic acid  ' non-polymer        38  17 .
OIN      OIN '(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]' non-polymer        44  21 .
OIO      OIO '8-(1H-imidazol-1-yl)octanoic acid   ' non-polymer        32  15 .
OIR      OIR 'N-(3-PHENYL-2-SULFANYLPROPANOYL)PHEN' non-polymer        51  28 .
OIS      OIS '(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(' non-polymer        94  48 .
OKA      OKA 'OKADAIC ACID                        ' non-polymer       124  57 .
OKD      OKD '"N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,1' non-polymer        79  41 .
OL1      OL1 '7-phenyl-1-(5-pyridin-2-yl-1,3-oxazo' non-polymer        50  26 .
OL2      OL2 '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        53  31 .
OLA      OLA 'OLEIC ACID                          ' non-polymer        53  20 .
OLC      OLC '(2R)-2,3-dihydroxypropyl (9Z)-octade' non-polymer        65  25 .
OLN      OLN '(S)-2-ACETAMIDO-5-UREIDOPENTANOIC AC' non-polymer        29  15 .
OLO      OLO 'OLOMOUCINE                          ' non-polymer        40  22 .
OLP      OLP '2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROA' non-polymer        43  24 .
OLT      OLT 'O-METHYL-L-THREONINE                ' peptide            19   9 .
OLU      OLU '2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-' non-polymer        22  16 .
OLZ      OLZ 'O-(2-aminoethyl)-L-serine           ' peptide            21  10 .
OMC      OMC 'O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE' RNA                36  22 .
OMD      OMD '2-(3,6-DIHYDROXYPHENYL)ACETIC ACID  ' non-polymer        19  12 .
OMG      OMG 'O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE' RNA                39  25 .
OMH      OMH 'O-[(S)-hydroxy(methoxy)phosphoryl]-L' peptide            20  12 .
OMN      OMN '"4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-' non-polymer        27  22 .
OMO      OMO 'MO(VI)(=O)(OH)2 CLUSTER             ' non-polymer         6   4 .
OMP      OMP 'OROTIDINE-5'-MONOPHOSPHATE          ' non-polymer        34  24 .
OMT      OMT 'S-DIOXYMETHIONINE                   ' peptide            21  11 .
OMU      OMU '.                                   ' RNA                35  22 .
OMX      OMX '(betaR)-beta-hydroxy-L-Tyrosine     ' peptide            24  14 .
OMY      OMY '(betaR)-3-chloro-beta-hydroxy-L-tyro' peptide            24  15 .
ON1      ON1 '2-(3,4-dichlorobenzyl)-5,6-dihydroxy' non-polymer        27  20 .
ONA      ONA '.                                   ' non-polymer        60  41 .
ONE      ONE '1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-O' RNA                32  20 .
ONL      ONL '5-OXO-L-NORLEUCINE                  ' peptide            20  10 .
ONM      ONM '3'-O-(N-METHYLANTHRANILOYL)-GUANOSIN' non-polymer        61  42 .
ONO      ONO '"2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMI' non-polymer        69  39 .
ONP      ONP 'O-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer        34  25 .
OOA      OOA '3-OXOOCTANOIC ACID                  ' non-polymer        24  11 .
OPA      OPA '2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIE' non-polymer        25  18 .
OPB      OPB '4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYL' non-polymer        44  24 .
OPC      OPC '"(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMET' non-polymer       141  55 .
OPD      OPD '9R,13R-12-OXOPHYTODIENOIC ACID      ' non-polymer        48  21 .
OPE      OPE 'PHOSPHORIC ACID MONO-(2-AMINO-ETHYL)' non-polymer        14   8 .
OPG      OPG 'OXIRANPSEUDOGLUCOSE                 ' non-polymer        24  12 .
OPH      OPH '2-HYDROXY-3-PHENYL-PROPIONIC ACID ME' non-polymer        25  13 .
OPI      OPI 'PANTOTHENYL-AMINOETHANOL-11-PIVALIC ' non-polymer        54  24 .
OPM      OPM 'O1-PENTYL-MANNOSE                   ' pyranose           39  17 .
OPN      OPN '"{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-DIHY' non-polymer        38  22 .
OPP      OPP '1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETH' non-polymer        25  17 .
OPQ      OPQ '((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-' non-polymer        82  37 .
OPR      OPR 'C-(3-OXOPROPYL)ARGININE             ' non-polymer        33  15 .
OPS      OPS '3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPA' non-polymer        19  10 .
OPT      OPT 'S-benzyl-N-(biphenyl-4-ylacetyl)-L-c' non-polymer       115  60 .
OPY      OPY '(3S)-4-oxo-4-piperidin-1-ylbutane-1,' non-polymer        32  13 .
OQB      OQB '"4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMI' non-polymer        58  37 .
ORD      ORD 'D-ORNITHINE                         ' peptide            20   9 .
ORE      ORE '4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-X' non-polymer        38  30 .
ORG      ORG '4-(cyclohexylamino)-6-piperazin-1-yl' non-polymer        42  21 .
ORH      ORH '3,5-dioxo-4-(3-piperidin-1-ylpropyl)' non-polymer        49  29 .
ORN      ORN 'ORNITHINE                           ' peptide            22   9 .
ORO      ORO 'OROTIC ACID                         ' non-polymer        14  11 .
ORP      ORP '2-DEOXY-5-PHOSPHONO-RIBOSE          ' non-polymer        22  13 .
ORQ      ORQ 'N~5~-ACETYL-L-ORNITHINE             ' peptide            25  12 .
ORX      ORX 'N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPH' non-polymer        43  24 .
OS4      OS4 'OSMIUM 4+ ION                       ' non-polymer         1   1 .
OSB      OSB '2-SUCCINYLBENZOATE                  ' non-polymer        24  16 .
OSC      OSC '(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO' non-polymer        89  45 .
OS       OS  'OSMIUM ION                          ' non-polymer         1   1 .
OSE      OSE 'O-SULFO-L-SERINE                    ' peptide            17  11 .
OSF      OSF 'octyl sulfate                       ' non-polymer        30  13 .
OSM      OSM '1-(OXIDOSULFANYL)METHANAMINE        ' non-polymer         9   4 .
OSP      OSP 'SULTHIAME                           ' non-polymer        32  18 .
OSS      OSS '6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHY' non-polymer        40  18 .
OST      OST 'METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PH' non-polymer        40  22 .
OSU      OSU 'N-OCTANOYLSUCROSE                   ' non-polymer        68  32 .
OTA      OTA '2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-' non-polymer        26  18 .
OTD      OTD '2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4' non-polymer        17  13 .
OTG      OTG 'ORTHO-TOLUOYLGLUCOSAMINE            ' non-polymer        40  21 .
OTH      OTH 'N,O-dimethyl-L-threonine            ' non-polymer        22  10 .
OTK      OTK '"(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-' non-polymer        74  36 .
OTP      OTP '"(2E,6E,10E,14E,18E,22E,26E)-3,7,11,' non-polymer       114  49 .
OTR      OTR '4-(2R-AMINO-1-HYDROXYETHYL)PHENOL   ' non-polymer        22  11 .
OTS      OTS '4-(2S-AMINO-1-HYDROXYETHYL)PHENOL   ' non-polymer        22  11 .
OTT      OTT '(2E,4E,6E)-octa-2,4,6-trienoic acid ' non-polymer        19  10 .
OTY      OTY '2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-' peptide            24  14 .
OUT      OUT 'CARBAMIC ACID                       ' non-polymer         7   4 .
OVA      OVA '"3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-' non-polymer        47  21 .
OWL      OWL 'N-1H-imidazol-2-yl-N'-[4-(1H-imidazo' non-polymer        42  25 .
OX1      OX1 '.                                   ' non-polymer        37  22 .
OX2      OX2 '2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1' pyranose           31  17 .
OX3      OX3 '4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLC' non-polymer        35  18 .
OX4      OX4 '3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CY' non-polymer        35  19 .
OX5      OX5 '4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHY' non-polymer        34  17 .
OX6      OX6 'TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-O' non-polymer        36  17 .
OX7      OX7 'TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-O' non-polymer        36  17 .
OXC      OXC 'OXONIC ACID                         ' non-polymer        15  11 .
OXD      OXD 'OXALIC ACID                         ' non-polymer         6   6 .
OXE      OXE 'ORTHO-XYLENE                        ' non-polymer        18   8 .
OXG      OXG '8-OXOGUANINE                        ' non-polymer        15  12 .
OXI      OXI 'OXOLINIC ACID                       ' non-polymer        29  19 .
OXK      OXK 'OXALYL-COENZYME A                   ' non-polymer        84  53 .
OXL      OXL 'OXALATE ION                         ' non-polymer         6   6 .
OXM      OXM 'OXAMIC ACID                         ' non-polymer         8   6 .
OXN      OXN 'OXTOXYNOL-10                        ' non-polymer       107  45 .
OXP      OXP '2-OXO-3-PENTENOIC ACID              ' non-polymer        13   8 .
OXQ      OXQ '4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXY' non-polymer        10   9 .
OXR      OXR '4-OXORETINOL                        ' non-polymer        50  22 .
OXS      OXS '2-OXALOSUCCINIC ACID                ' non-polymer        16  13 .
OXT      OXT '.                                   ' non-polymer       124  76 .
OXX      OXX 'OXALYL-ASPARTYL ANHYDRIDE           ' peptide            19  14 .
OXY      OXY 'OXYGEN MOLECULE                     ' non-polymer         2   2 .
OXZ      OXZ 'TETRAHYDROOXAZINE                   ' non-polymer        21  10 .
OYA      OYA 'OCTANAL                             ' non-polymer        25   9 .
OYJ      OYJ '"(3R,4R)-1-METHANESULFONYL-PYRROLIDI' non-polymer        58  37 .
OZ2      OZ2 '"(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypr' non-polymer       116  48 .
OZT      OZT '(4S,5R)-5-methyl-2-oxo-1,3-oxazolidi' non-polymer        16  10 .
P01      P01 '2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOP' non-polymer        52  27 .
P03      P03 '2-[3-[3-(2-hydroxyethoxy)propoxy]pro' non-polymer        37  15 .
P04      P04 '19-(cyclopropylamino)-4,6,7,15-tetra' non-polymer        48  27 .
P0E      P0E 'PHOSPHATIDYL ETHANOL                ' non-polymer       121  49 .
P0P      P0P '"[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-ME' non-polymer        27  17 .
P10      P10 '"[1-(3-HYDROXY-2-OXO-1-PHENETHYL-PRO' non-polymer        64  35 .
P11      P11 '"IMIDAZOLE-PYRROLE-BETA ALANINE-IMID' non-polymer       122  66 .
P12      P12 '4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMON' non-polymer        52  23 .
P13      P13 'N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-' non-polymer        63  30 .
P14      P14 'N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AM' non-polymer        56  25 .
P15      P15 '2,5,8,11,14,17-HEXAOXANONADECAN-19-O' non-polymer        48  20 .
P16      P16 '6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROX' non-polymer        45  29 .
P17      P17 '6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(' non-polymer        45  29 .
P19      P19 'N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]T' non-polymer        37  23 .
P1A      P1A '2,3,14,20,22-PENTAHYDROXYCHOLEST-7-E' non-polymer        77  33 .
P1C      P1C 'DEACETOXYCEPHALOSPORIN-C            ' non-polymer        41  24 .
P1D      P1D '"((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6' non-polymer        41  25 .
P1E      P1E '4-{[4-{[(1R,2R)-2-(dimethylamino)cyc' non-polymer        56  31 .
P1G      P1G '"((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,' non-polymer        42  26 .
P1H      P1H '.                                   ' non-polymer        91  55 .
P1L      P1L 'S-PALMITOYL-L-CYSTEINE              ' peptide            60  24 .
P1O      P1O '1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOC' non-polymer        94  38 .
P1P      P1P '3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1' non-polymer        15   8 .
P1R      P1R 'PYRIMIDINE                          ' non-polymer        10   6 .
P1S      P1S '(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3' non-polymer        37  23 .
P1T      P1T '"2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHO' non-polymer        33  21 .
P1Z      P1Z '4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,' non-polymer        43  23 .
P20      P20 '2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-C' non-polymer        28  17 .
P21      P21 '4-chloro-N-(3-methoxypropyl)-N-[(3S)' non-polymer        60  29 .
P22      P22 'ETHYL DIHYDROGEN DIPHOSPHATE        ' non-polymer        16  11 .
P23      P23 'PROPYL TRIHYDROGEN DIPHOSPHATE      ' non-polymer        19  12 .
P24      P24 '1-(AMINOETHYL)AMINO-4-AMINOBUTANE   ' non-polymer        26   9 .
P25      P25 'PENTYL TRIHYDROGEN DIPHOSPHATE      ' non-polymer        25  14 .
P26      P26 '"4-[2-(1,1,3,3-tetramethyl-2,3-dihyd' non-polymer        52  27 .
P27      P27 '"{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-' non-polymer        69  46 .
P28      P28 '3',5'-DINITRO-N-ACETYL-L-THYRONINE  ' non-polymer        43  29 .
P29      P29 '4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2' non-polymer        41  26 .
P2A      P2A '1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHAT' non-polymer        27  16 .
P2C      P2C '2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL' non-polymer        29  21 .
P2G      P2G '"(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6' non-polymer        39  25 .
P2H      P2H '1-(2-hydroxy-2,2-diphosphonoethyl)-3' non-polymer        39  23 .
P2I      P2I '1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOIN' non-polymer        49  27 .
P2M      P2M 'N-(pyridin-2-ylmethyl)naphthalene-1-' non-polymer        35  21 .
P2N      P2N '(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7' non-polymer        42  23 .
P2O      P2O '3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ON' non-polymer        16   9 .
P2P      P2P 'N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDR' non-polymer        34  23 .
P2Q      P2Q '2-hydroxy-5-{[(1S,2E)-1-formyl-4-phe' peptide            49  28 .
P2S      P2S '(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL' non-polymer        38  21 .
P2T      P2T '.                                   ' DNA                44  25 .
P2U      P2U '2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHA' DNA                31  20 .
P2Y      P2Y '(2S)-PYRROLIDIN-2-YLMETHYLAMINE     ' non-polymer        19   7 .
P32      P32 '4-{[(2S)-3-(tert-butylamino)-2-hydro' non-polymer        42  21 .
P33      P33 '3,6,9,12,15,18-HEXAOXAICOSANE-1,20-D' non-polymer        52  22 .
P34      P34 'N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-D' non-polymer        39  22 .
P36      P36 '1-benzyl-4-(benzyloxy)-3-bromopyridi' non-polymer        39  23 .
P37      P37 'N-cyclopropyl-3-{[1-(2,4-difluorophe' non-polymer        54  33 .
P38      P38 '5-methyl-4-[(2-methyl-5-{[(2-morphol' non-polymer        76  44 .
P39      P39 '5-methyl-4-[(2-methyl-5-{[(3-morphol' non-polymer        79  44 .
P3A      P3A 'PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL' non-polymer       136  58 .
P3D      P3D '"(4-{(E)-[(5-AMINOPENTYL)IMINO]METHY' non-polymer        42  22 .
P3F      P3F '"PHOSPHORIC ACID MONO-(5-HYDROXY-6-M' non-polymer        49  33 .
P3G      P3G '3,6,9,12,15-PENTAOXAHEPTADECANE     ' non-polymer        43  17 .
P3M      P3M '1-3 SUGAR RING OF PENTAMANNOSYL 6-PH' non-polymer        69  38 .
P3P      P3P '(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)' non-polymer        25  15 .
P3Q      P3Q '2-hydroxy-5-{[(1E)-1-(2-oxoethyliden' peptide            51  28 .
P3S      P3S 'L-METHIONINE-S-SULFOXIMINE PHOSPHATE' non-polymer        27  15 .
P3T      P3T '"(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-' non-polymer        41  21 .
P3Y      P3Y '5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,' non-polymer        48  28 .
P40      P40 'N-cyclopropyl-4-methyl-3-{2-[(2-morp' non-polymer        61  32 .
P41      P41 '6-[4-(2-fluorophenyl)-1,3-oxazol-5-y' non-polymer        41  25 .
P42      P42 '"(2S)-2-{[(1R)-1-hydroxyhexadecyl]ox' non-polymer       140  52 .
P44      P44 '2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLA' non-polymer        47  26 .
P45      P45 '2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMI' non-polymer        41  27 .
P47      P47 '(2Z)-5-(4-chlorophenyl)-3-phenylpent' non-polymer        34  20 .
P48      P48 'N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLP' non-polymer        66  34 .
P49      P49 '"1-methyl-8-(phenylamino)-4,5-dihydr' non-polymer        38  24 .
P4A      P4A '4-[4-(4-methoxyphenyl)-5-methyl-1H-p' non-polymer        38  22 .
P4C      P4C 'O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL ' non-polymer        50  22 .
P4G      P4G '1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE   ' non-polymer        29  11 .
P4L      P4L '2-pyridin-2-yl-7,8-dihydro-5H-thiopy' non-polymer        28  17 .
P4O      P4O '2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,' non-polymer        42  26 .
P4P      P4P 'TETRAPHENYLPHOSPHONIUM              ' non-polymer        45  25 .
P4T      P4T '2-PHENYLAMINO-4-METHYL-5-ACETYL THIA' non-polymer        28  16 .
P55      P55 '2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLA' non-polymer        46  26 .
P5A      P5A ''5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOS' non-polymer        51  30 .
P5B      P5B 'N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-' non-polymer        72  39 .
P5C      P5C '2-{[(1R,2S)-2-aminocyclohexyl]amino}' non-polymer        49  25 .
P5P      P5P '.                                   ' RNA                33  22 .
P63      P63 'N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOL' non-polymer        45  29 .
P66      P66 '4-chloro-N-cyclopropyl-3-{[1-(2,6-di' non-polymer        46  31 .
P6C      P6C '2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARB' non-polymer        27  17 .
P6F      P6F '1,6-di-O-phosphono-D-fructose       ' non-polymer        30  20 .
P6G      P6G 'HEXAETHYLENE GLYCOL                 ' non-polymer        45  19 .
P6L      P6L '"(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL' non-polymer       125  51 .
P6P      P6P '6-O-phosphono-alpha-D-fructofuranose' non-polymer        27  16 .
P6T      P6T '1,6-di-O-phosphono-D-tagatose       ' non-polymer        30  20 .
P77      P77 '2-chloro-10-[3-(4-methylpiperazin-1-' non-polymer        49  25 .
P83      P83 '1-(9-ethyl-9H-carbazol-3-yl)-N-methy' non-polymer        36  18 .
P89      P89 '1-{[(1E)-(3-HYDROXY-2-METHYL-5-{[(TR' non-polymer        61  28 .
P8D      P8D 'phosphinate pseudodipeptide L-Ala-D-' non-polymer        27  15 .
P8H      P8H '3-bromo-5-[(4-pyrrolidin-1-ylpiperid' non-polymer        40  20 .
P90      P90 '"{4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-Y' non-polymer        67  42 .
P91      P91 '8-bromo-4-(2-chlorophenyl)-N-(2-hydr' non-polymer        44  29 .
P99      P99 '2-[2,6-difluoro-4-({2-[(phenylsulfon' non-polymer        42  26 .
P9A      P9A '"3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-di' non-polymer        60  32 .
P9C      P9C '"3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6' non-polymer        70  38 .
PA0      PA0 'Phenylarsine oxide                  ' non-polymer        13   8 .
PA1      PA1 'PAROMOMYCIN (RING 1)                ' non-polymer        25  12 .
PA2      PA2 'PAROMOMYCIN (RING 2)                ' non-polymer        24  10 .
PA3      PA3 'PAROMOMYCIN (RING 3)                ' non-polymer        18   8 .
PA5      PA5 '5-PHOSPHOARABINONIC ACID            ' non-polymer        23  15 .
PA6      PA6 '(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PR' non-polymer        33  18 .
PA7      PA7 'N-PROPYL CARBOXYAMIDO ADENOSINE     ' non-polymer        41  23 .
PA8      PA8 '1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHAT' non-polymer        63  28 .
PA9      PA9 'N~2~-acetyl-N~5~-(phosphonoacetyl)-L' non-polymer        35  19 .
PAA      PAA '(N-METHYLPYRIDYL)ACETIC ACID        ' non-polymer        20  11 .
PAB      PAB '4-AMINOBENZOIC ACID                 ' non-polymer        16  10 .
PAC      PAC '2-PHENYLACETIC ACID                 ' non-polymer        17  10 .
PAD      PAD '5-BETA-D-RIBOFURANOSYLPICOLINAMIDE A' non-polymer        70  44 .
PAE      PAE 'PHOSPHONOACETIC ACID                ' non-polymer        12   8 .
PAF      PAF 'PANTOATE                            ' non-polymer        21  10 .
PAH      PAH 'PHOSPHONOACETOHYDROXAMIC ACID       ' non-polymer        15   9 .
PAI      PAI '"{[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-TE' non-polymer        46  25 .
PAJ      PAJ 'PANTOYL ADENYLATE                   ' non-polymer        55  32 .
PAK      PAK '9-CYANO PAULLONE                    ' non-polymer        32  21 .
PAL      PAL 'N-(PHOSPHONACETYL)-L-ASPARTIC ACID  ' non-polymer        24  16 .
PAM      PAM 'PALMITOLEIC ACID                    ' non-polymer        47  18 .
PAN      PAN '5-PHOSPHO-D-ARABINOHYDROXAMIC ACID  ' non-polymer        26  16 .
PAO      PAO 'N-(PHOSPHONOACETYL)-L-ORNITHINE     ' non-polymer        30  16 .
PAP      PAP '3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHAT' non-polymer        42  31 .
PAQ      PAQ '2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDI' peptide            37  22 .
PAR      PAR 'PAROMOMYCIN                         ' non-polymer        87  42 .
PAT      PAT 'ALPHA-PHOSPHONO-TRYPTOPHAN          ' peptide            31  19 .
PAU      PAU 'PANTOTHENOIC ACID                   ' non-polymer        31  15 .
PAV      PAV '(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROX' non-polymer        20  10 .
PAW      PAW 'N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHY' non-polymer        36  13 .
PAX      PAX '.                                   ' non-polymer        74  51 .
PAY      PAY 'OCTANE-1,3,5,7-TETRACARBOXYLIC ACID ' non-polymer        34  20 .
PAZ      PAZ 'N-[(2R)-2-hydroxy-3,3-dimethyl-4-(ph' non-polymer        34  19 .
PB1      PB1 '3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPT' non-polymer        34  16 .
PB2      PB2 '1-(biphenyl-4-ylmethyl)-1H-imidazole' non-polymer        32  18 .
PB3      PB3 'N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4' non-polymer        50  28 .
PB4      PB4 'N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYR' non-polymer        50  30 .
PB5      PB5 'N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDI' non-polymer        42  26 .
PB6      PB6 '3-[(1E)-but-1-en-1-yl]-1-(2,2-diphos' non-polymer        38  20 .
PB9      PB9 '"methyl 4-{[{(3S)-6-cyano-1-[(1-meth' non-polymer        73  40 .
PBA      PBA 'PHENYLETHANE BORONIC ACID           ' non-polymer        22  11 .
PBB      PBB 'S-(4-BROMOBENZYL)CYSTEINE           ' peptide            26  15 .
PBC      PBC 'PHENYL BORONIC ACID                 ' non-polymer        16   9 .
PB       PB  'LEAD (II) ION                       ' non-polymer         1   1 .
PBE      PBE '1,1-DIMETHYL-PROLINIUM              ' non-polymer        23  10 .
PBF      PBF 'PARA-(BENZOYL)-PHENYLALANINE        ' peptide            34  20 .
PBG      PBG '3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)' non-polymer        28  16 .
PBH      PBH '(11aS)-7-methoxy-8-(3-{4-[6-(4-methy' non-polymer        84  44 .
PBI      PBI '"[2-AMINOMETHYL-5-OXO-4-(4-OXO-CYCLO' non-polymer        34  19 .
PBM      PBM 'TRIMETHYL LEAD ION                  ' non-polymer        13   4 .
PBN      PBN '4-PHENYLBUTYLAMINE                  ' non-polymer        26  11 .
PBO      PBO '1-PYRIDIN-3-YLBUTAN-1-ONE           ' non-polymer        22  11 .
PBP      PBP '1-(4-BROMO-PHENYL)-ETHANONE         ' non-polymer        17  10 .
PBQ      PBQ 'PENTABROMOPSEUDILIN                 ' non-polymer        21  17 .
PBR      PBR 'PENTABROMOPHENOL                    ' non-polymer        13  12 .
PBS      PBS '(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GA' non-polymer       105  42 .
PBT      PBT '"[3-HYDROXY-5-(5-METHYL-2,4-DIOXOTET' non-polymer        36  21 .
PBU      PBU '"(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,' non-polymer        67  39 .
PBZ      PBZ 'P-AMINO BENZAMIDINE                 ' non-polymer        20  10 .
PC0      PC0 '1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)' non-polymer        42  23 .
PC1      PC1 '1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLI' non-polymer       142  54 .
PC3      PC3 'COPROPORPHYRIN I CONTAINING CO(III) ' non-polymer        81  49 .
PC4      PC4 'TETRACHLOROPLATINATE(II)            ' non-polymer         5   5 .
PC5      PC5 '1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITH' non-polymer        64  28 .
PC6      PC6 '"7-[(DODECANOYLOXY)METHYL]-4-HYDROXY' non-polymer       145  55 .
PC7      PC7 '"(7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OX' non-polymer       136  52 .
PC8      PC8 '1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOC' non-polymer        82  34 .
PC9      PC9 '"(7R,14S)-14,15-DIBROMO-4-HYDROXY-N,' non-polymer       136  54 .
PCA      PCA 'PYROGLUTAMIC ACID                   ' peptide            15   9 .
PCB      PCB '4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5' non-polymer        34  24 .
PC       PC  'PHOSPHOCHOLINE                      ' non-polymer        24  11 .
PCD      PCD '(MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE' non-polymer        72  48 .
PCE      PCE '2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BU' non-polymer        43  19 .
PCF      PCF '1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLIN' non-polymer       130  50 .
PCG      PCG 'CYCLIC GUANOSINE MONOPHOSPHATE      ' non-polymer        34  23 .
PCH      PCH '3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-4-YL' non-polymer        43  19 .
PCI      PCI 'PENTACHLOROPHENOL                   ' non-polymer        13  12 .
P        P   '.                                   ' DNA                42  26 .
PCJ      PCJ '"(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOY' non-polymer       167  62 .
PCK      PCK '"(7R,18S,19R)-18,19-DIBROMO-7-{[(9S,' non-polymer       142  58 .
PCL      PCL 'PLATINUM(II) DI-CHLORIDE            ' non-polymer         3   3 .
PCM      PCM '1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUC' non-polymer        85  43 .
PCN      PCN '"2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-ME' non-polymer        44  26 .
PCO      PCO '2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYL' non-polymer        38  18 .
PCP      PCP '1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALP' non-polymer        32  22 .
PCQ      PCQ '3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-' non-polymer        24  18 .
PCR      PCR 'P-CRESOL                            ' non-polymer        16   8 .
PCS      PCS 'PHENYLALANYLMETHYLCHLORIDE          ' non-polymer        25  13 .
PCT      PCT 'PHOSPHONOACETAMIDE                  ' non-polymer        14   8 .
PCU      PCU 'CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PO' non-polymer        89  53 .
PCV      PCV '5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-' non-polymer        27  14 .
PCW      PCW '1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHO' non-polymer       138  54 .
PCX      PCX 'DEOXYGUANIDINOPROCLAVAMINIC ACID    ' non-polymer        31  16 .
PCY      PCY 'PACTAMYCIN                          ' non-polymer        78  40 .
PCZ      PCZ 'PCNOTAXIME GROUP                    ' non-polymer        40  27 .
PD1      PD1 '1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHE' non-polymer        79  38 .
PD2      PD2 'PYRIDINE-2,4-DICARBOXYLIC ACID      ' non-polymer        15  12 .
PD3      PD3 '1-{3-[(4-amino-1-cyclopentyl-1H-pyra' non-polymer        60  36 .
PD4      PD4 '6-(6-methoxypyridin-3-yl)-2-[(2-morp' non-polymer        66  34 .
PD5      PD5 '1-{4-[4-amino-1-(1-methylethyl)-1H-p' non-polymer        53  33 .
PD6      PD6 '5-amino-1-butyl-7-phenyl-1,6-naphthy' non-polymer        41  22 .
PD7      PD7 '(2R)-3-(phosphonooxy)propane-1,2-diy' non-polymer        57  26 .
PD8      PD8 'PHOSPHORYLATED DIHYDROPTEROATE      ' non-polymer        38  27 .
PDA      PDA '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        35  21 .
PDB      PDB '1-(2-methylphenyl)-6-[(2R)-3,3,3-tri' non-polymer        39  24 .
PDC      PDC 'PYRIDINE-2,6-DICARBOXYLIC ACID      ' non-polymer        15  12 .
PD       PD  'PALLADIUM ION                       ' non-polymer         1   1 .
PDD      PDD 'N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE   ' non-polymer        35  21 .
PDE      PDE 'PARA-NITROPHENYL PHOSPHONOBUTANOYL D' non-polymer        40  24 .
PDG      PDG '"N-({3-HYDROXY-2-METHYL-5-[(PHOSPHON' non-polymer        40  25 .
PDH      PDH '(2S)-2-AMINO-3-PHENYL-1-PROPANOL    ' non-polymer        24  11 .
PDI      PDI 'PHOSPHORIC ACID MONO-(3-HYDROXY-PROP' non-polymer        16   9 .
PDJ      PDJ '(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPY' non-polymer       120  45 .
PDK      PDK '"(10S,13R)-3-{2-[{2-[bis(carboxymeth' non-polymer       151  69 .
PDM      PDM '4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHE' non-polymer        36  21 .
PDN      PDN '17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11' non-polymer        52  26 .
PDO      PDO '1,3-PROPANDIOL                      ' non-polymer        13   5 .
PDP      PDP 'PYRIDOXAL-5'-DIPHOSPHATE            ' non-polymer        28  20 .
PDQ      PDQ '3-amino-7-{(3R)-3-[(1S)-1-aminoethyl' non-polymer        50  26 .
PDR      PDR '3-(4-chloro-1H-pyrrolo[2,3-b]pyridin' non-polymer        39  24 .
PDS      PDS '3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-MET' non-polymer        61  33 .
PDT      PDT '1,3-PROPANEDITHIOL                  ' non-polymer        13   5 .
PDU      PDU '5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONO' DNA                40  23 .
PDV      PDV 'Divanadate ion                      ' non-polymer        10   9 .
PDX      PDX '2,3-DI-O-SULFO-ALPHA-D-GLUCOPYRANOSE' non-polymer        32  20 .
PDY      PDY 'N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-' non-polymer        53  27 .
PDZ      PDZ '6-(4-chloro-2-fluoro-3-phenoxybenzyl' non-polymer        35  23 .
PE0      PE0 'PTERINE                             ' non-polymer        17  12 .
PE1      PE1 'N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPH' non-polymer        46  25 .
PE2      PE2 '9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-' non-polymer        33  18 .
PE3      PE3 '3,6,9,12,15,18,21,24,27,30,33,36,39-' non-polymer       101  43 .
PE4      PE4 '2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-E' non-polymer        58  24 .
PE5      PE5 '3,6,9,12,15,18,21,24-OCTAOXAHEXACOSA' non-polymer        65  27 .
PE6      PE6 'PHOSPHORYL-HEXAETHYLENE GLYCOL      ' non-polymer        48  23 .
PE7      PE7 '1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL ' non-polymer        52  22 .
PE8      PE8 '3,6,9,12,15,18,21-HEPTAOXATRICOSANE-' non-polymer        59  25 .
PE9      PE9 'PENTAN-1-OL                         ' non-polymer        18   6 .
PEA      PEA '2-PHENYLETHYLAMINE                  ' non-polymer        21   9 .
PEB      PEB 'PHYCOERYTHROBILIN                   ' non-polymer        81  43 .
PEC      PEC 'S,S-PENTYLTHIOCYSTEINE              ' peptide            29  13 .
PED      PED 'PENTANE-3,4-DIOL-5-PHOSPHATE        ' non-polymer        23  12 .
PEE      PEE 'PHOSPHATIDYLETHANOLAMINE            ' non-polymer       133  51 .
PEF      PEF 'DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANO' non-polymer       120  47 .
PEG      PEG 'DI(HYDROXYETHYL)ETHER               ' non-polymer        17   7 .
PEH      PEH 'DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOL' non-polymer       132  51 .
PEJ      PEJ 'PERIODATE                           ' non-polymer         5   5 .
PEK      PEK '"(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PH' non-polymer       130  53 .
PEL      PEL '2-PHENYL-ETHANOL                    ' non-polymer        19   9 .
PEM      PEM '2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHEN' non-polymer        44  25 .
PEO      PEO 'HYDROGEN PEROXIDE                   ' non-polymer         4   2 .
PEP      PEP 'PHOSPHOENOLPYRUVATE                 ' non-polymer        12  10 .
PEQ      PEQ 'L-PHOSPHOLACTATE                    ' non-polymer        14  10 .
PER      PER 'PEROXIDE ION                        ' non-polymer         2   2 .
PET      PET '1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTA' non-polymer        47  25 .
PEU      PEU '2,5,8,11,14,17,20,23,26,29,32,35,38,' non-polymer       195  83 .
PEV      PEV '"(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PH' non-polymer       126  49 .
PEW      PEW '"(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PH' non-polymer       126  51 .
PEX      PEX '1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOE' non-polymer        84  35 .
PEY      PEY 'PHENANTHRENE                        ' non-polymer        24  14 .
PEZ      PEZ '2-(PHOSPHONOOXY)BUTANOIC ACID       ' non-polymer        17  11 .
PF1      PF1 'N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        29  15 .
PF2      PF2 '2-(4-{(3S,5S)-5-[(3,3-difluoropyrrol' non-polymer        50  26 .
PF3      PF3 '"(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-' non-polymer        50  31 .
PF4      PF4 '4,5-bis(4-methoxyphenyl)-2-thiophen-' non-polymer        44  26 .
PF5      PF5 '2,3,4,5,6-PENTAFLUORO-L-PHENYLALANIN' peptide            22  17 .
PF6      PF6 '2-({4-[4-(pyridin-4-ylmethyl)-1H-pyr' non-polymer        50  30 .
PF7      PF7 '4-(quinolin-3-ylmethyl)piperidine-1-' non-polymer        38  20 .
PF8      PF8 '2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-y' non-polymer        47  29 .
PF9      PF9 '2-{[4-(1-methyl-4-pyridin-4-yl-1H-py' non-polymer        50  30 .
PFA      PFA '[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3' non-polymer        48  27 .
PFB      PFB '2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL ' non-polymer        16  13 .
PFC      PFC 'PHENYLFERRICROCIN-IRON              ' non-polymer       104  56 .
PFD      PFD '5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHEN' non-polymer        48  29 .
PFE      PFE '{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLA' non-polymer        52  30 .
PFF      PFF '4-FLUORO-L-PHENYLALANINE            ' peptide            22  13 .
PFG      PFG '10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLU' non-polymer       101  62 .
PFH      PFH '6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLO' non-polymer        53  30 .
PFI      PFI '(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-' non-polymer        53  26 .
PFJ      PFJ '6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-' non-polymer        51  30 .
PFL      PFL '2,6-BIS(1-METHYLETHYL)PHENOL        ' non-polymer        31  13 .
PFM      PFM '1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOS' non-polymer        41  25 .
PFN      PFN 'FENOPROFEN                          ' non-polymer        31  18 .
PFP      PFP '2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2' non-polymer        50  29 .
PFQ      PFQ '2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN' non-polymer        42  25 .
PFS      PFS '1-O-OCTADECYL-2-ACETYL-SN-GLYCEROL-3' non-polymer        89  35 .
PFT      PFT '4-(1,3-dihydro-2H-isoindol-2-ylcarbo' non-polymer        32  19 .
PFU      PFU '(1S)-1,4-anhydro-1-(5-carbamoyl-4-hy' non-polymer        34  22 .
PFX      PFX '(2S)-1-({2-[2-(carboxymethoxy)ethoxy' non-polymer        49  26 .
PFY      PFY '(3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL' non-polymer        77  43 .
PFZ      PFZ '1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DI' non-polymer        44  22 .
PG0      PG0 '2-(2-METHOXYETHOXY)ETHANOL          ' non-polymer        20   8 .
PG1      PG1 'PENICILLIN G ACYL-SERINE            ' peptide            53  30 .
PG2      PG2 'PROSTAGLANDIN D2                    ' non-polymer        56  25 .
PG3      PG3 'GUANIDINE-3-PROPANOL                ' non-polymer        20   8 .
PG4      PG4 'TETRAETHYLENE GLYCOL                ' non-polymer        31  13 .
PG5      PG5 '1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ET' non-polymer        30  12 .
PG6      PG6 '1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METH' non-polymer        44  18 .
PG8      PG8 '1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO' non-polymer        75  33 .
PG9      PG9 'D-PHENYLGLYCINE                     ' peptide            19  11 .
PGA      PGA '2-PHOSPHOGLYCOLIC ACID              ' non-polymer        11   9 .
PGD      PGD '"2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7' non-polymer        69  47 .
PGE      PGE 'TRIETHYLENE GLYCOL                  ' non-polymer        24  10 .
PGF      PGF '2,5,8,11-TETRAOXATRIDECANE          ' non-polymer        33  13 .
PGG      PGG 'PARA-NITROPHENYLPHOSPHONOBUTANOYL-GL' non-polymer        37  23 .
PGH      PGH 'PHOSPHOGLYCOLOHYDROXAMIC ACID       ' non-polymer        14  10 .
PGI      PGI '(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2' non-polymer        43  22 .
PGJ      PGJ '2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-' non-polymer        49  31 .
PGK      PGK '"(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL' non-polymer       129  53 .
PGL      PGL '(aminomethyl)phosphonic acid        ' non-polymer        12   6 .
PGM      PGM '1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[' non-polymer        76  32 .
PGN      PGN '2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE ' DNA                38  27 .
PGO      PGO 'S-1,2-PROPANEDIOL                   ' non-polymer        13   5 .
PGP      PGP 'GUANOSINE-3',5'-DIPHOSPHATE         ' RNA                39  28 .
PGR      PGR 'R-1,2-PROPANEDIOL                   ' non-polymer        13   5 .
PGS      PGS '.                                   ' non-polymer        40  27 .
PGT      PGT '"(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL' non-polymer       129  51 .
PGU      PGU '"N-({3-hydroxy-2-methyl-5-[(phosphon' non-polymer        40  25 .
PGV      PGV '"(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL' non-polymer       127  51 .
PGW      PGW '"(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypr' non-polymer       127  51 .
PGX      PGX '"7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3' non-polymer        57  26 .
PH0      PH0 'N-{(2S)-3-[(R)-[(1R)-1-amino-2-pheny' non-polymer        65  35 .
PH1      PH1 '1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADE' non-polymer       133  45 .
PH2      PH2 '2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-' non-polymer        23  14 .
PH3      PH3 'N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE' non-polymer        20  12 .
PH4      PH4 '3-{hydroxy[(phosphonooxy)acetyl]amin' non-polymer        27  18 .
PH5      PH5 '2-PHENYL-PROP5AC                    ' non-polymer        55  29 .
PH7      PH7 '(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOP' non-polymer        43  28 .
PH9      PH9 '"(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]' non-polymer        59  32 .
PHA      PHA 'PHENYLALANINAL                      ' non-polymer        22  11 .
PHB      PHB 'P-HYDROXYBENZOIC ACID               ' non-polymer        15  10 .
PHC      PHC 'N-METHYL-N-(METHYLBENZYL)FORMAMIDE  ' non-polymer        25  12 .
PHD      PHD 'ASPARTYL PHOSPHATE                  ' peptide            18  13 .
PHE      PHE 'PHENYLALANINE                       ' peptide            20  11 .
PHF      PHF 'HF-OXO-PHOSPHATE CLUSTER PHF        ' non-polymer        40  29 .
PHG      PHG 'PHENYLMERCURY                       ' non-polymer        12   7 .
PHH      PHH '4,5,6,7-TETRACHLORO-PHTHALIDE       ' non-polymer        16  14 .
PHI      PHI 'IODO-PHENYLALANINE                  ' peptide            22  13 .
PHJ      PHJ 'N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE' non-polymer        19  11 .
PHK      PHK '(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BU' non-polymer        27  13 .
PHL      PHL 'L-PHENYLALANINOL                    ' non-polymer        24  11 .
PHM      PHM '(3S)-3-amino-1-chloro-4-phenylbutan-' non-polymer        25  13 .
PHN      PHN '1,10-PHENANTHROLINE                 ' non-polymer        22  14 .
PHO      PHO 'PHEOPHYTIN A                        ' non-polymer       138  64 .
PHP      PHP '(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMI' non-polymer       106  55 .
PHQ      PHQ 'benzyl chlorocarbonate              ' non-polymer        18  11 .
PHR      PHR '3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-' non-polymer        57  32 .
PHS      PHS 'PHOSPHONIC ACID                     ' non-polymer         7   4 .
PHT      PHT 'PHTHALIC ACID                       ' non-polymer        16  12 .
PHW      PHW '"BETA-PHENYL-N-{[(PHENYLMETHYL)OXY]C' non-polymer        99  53 .
PHX      PHX '4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4' non-polymer        31  20 .
PHY      PHY '1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHO' non-polymer        28  16 .
PHZ      PHZ '1-PHENYLHYDRAZINE                   ' non-polymer        16   8 .
PI0      PI0 '(2S)-N-[(4-carbamimidoylphenyl)methy' non-polymer        74  38 .
PI1      PI1 '.                                   ' non-polymer       102  49 .
PI2      PI2 '"2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLA' non-polymer        68  32 .
PI3      PI3 '"11-[1-HYDROXY-2-(3-METHYL-BUTYLAMIN' non-polymer        70  31 .
PI4      PI4 '"1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2' non-polymer        82  39 .
PI5      PI5 '"N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-' non-polymer       102  49 .
PI6      PI6 '"[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO' non-polymer        91  43 .
PI7      PI7 '"N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-' non-polymer       101  48 .
PI8      PI8 '"N-13-[(10S,13S)-9,12-DIOXO-10-(2-BU' non-polymer       105  51 .
PI9      PI9 '.                                   ' non-polymer        91  43 .
PIA      PIA '{2-(1-AMINOETHYL)-4-[(4-HYDROXYPHENY' non-polymer        35  21 .
PIB      PIB '"2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4' non-polymer        64  35 .
PIC      PIC '6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTH' non-polymer        28  20 .
PI       PI  'HYDROGENPHOSPHATE ION               ' non-polymer         5   5 .
PID      PID 'PERIDININ                           ' non-polymer        96  46 .
PIE      PIE '1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSI' non-polymer       137  57 .
PIF      PIF '"(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,' non-polymer        88  43 .
PIH      PIH 'IODOPHENYL                          ' non-polymer        12   7 .
PII      PII '"2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,' non-polymer       136  56 .
PIL      PIL '3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPY' non-polymer        43  25 .
PIM      PIM '4-PHENYL-1H-IMIDAZOLE               ' non-polymer        19  11 .
PIN      PIN '.                                   ' non-polymer        36  18 .
PIO      PIO '"L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4' non-polymer        91  47 .
PIP      PIP 'PIPERIDINE                          ' non-polymer        17   6 .
PIQ      PIQ '2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5' non-polymer        29  17 .
PIR      PIR '2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-P' non-polymer        32  16 .
PIS      PIS 'TRIHYDROGEN THIODIPHOSPHATE         ' non-polymer        10   9 .
PIT      PIT 'PICEATANNOL                         ' non-polymer        30  18 .
PIU      PIU '1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}' non-polymer        42  21 .
PIV      PIV 'PIVALIC ACID                        ' non-polymer        16   7 .
PIW      PIW '1-phenyl-1H-imidazole               ' non-polymer        19  11 .
PIX      PIX '4-(3-{[5-(trifluoromethyl)pyridin-2-' non-polymer        46  27 .
PIY      PIY '2-phenyl-1H-imidazole               ' non-polymer        19  11 .
PJ2      PJ2 '(5Z,12Z,15S)-15-hydroxy-11-oxoprosta' non-polymer        53  24 .
PK2      PK2 '6-amino-4-{2-[(cyclohexylmethyl)amin' non-polymer        54  27 .
PK3      PK3 '6-amino-4-(2-hydroxyethyl)-2-(methyl' non-polymer        34  20 .
PKF      PKF 'CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-' non-polymer       104  52 .
PKR      PKR '(2S)-1-methylpyrrolidine-2-carbaldeh' non-polymer        19   9 .
PL0      PL0 '1-phenylguanidine                   ' non-polymer        19  10 .
PL1      PL1 'COBALT (III)-DEGLYCOPEPLEOMYCIN     ' non-polymer       148  80 .
PL2      PL2 '"(4-{[(4-{[AMINO(IMINO)METHYL]AMINO}' non-polymer        46  24 .
PL3      PL3 'HEXADECAN-1-OL                      ' non-polymer        51  17 .
PL4      PL4 '"(2S,6S)-2-amino-6-[({3-hydroxy-2-me' non-polymer        48  28 .
PL5      PL5 '"(2S,6S)-2-amino-6-{[(1E)-{3-hydroxy' non-polymer        46  28 .
PL6      PL6 '"(E)-N-({3-hydroxy-2-methyl-5-[(phos' non-polymer        38  25 .
PL7      PL7 '(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYA' non-polymer        42  27 .
PL9      PL9 '2,3-DIMETHYL-5-(3,7,11,15,19,23,27,3' non-polymer       135  55 .
PLA      PLA '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        40  25 .
PLB      PLB '2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PY' non-polymer        37  27 .
PLC      PLC 'DIUNDECYL PHOSPHATIDYL CHOLINE      ' non-polymer       106  42 .
PLD      PLD 'DIUNDECYL PHOSPHATIDYL CHOLINE      ' non-polymer       160  60 .
PLE      PLE '[(1R)-1-amino-3-methylbutyl]phosphon' non-polymer        24  10 .
PLG      PLG 'N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOS' non-polymer        32  20 .
PLH      PLH 'METHYLAMINO-PHENYLALANYL-LEUCYL-HYDR' non-polymer        52  25 .
PLI      PLI '"(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-' non-polymer        33  21 .
PLL      PLL 'Palladium(II) allyl complex         ' non-polymer         9   4 .
PLM      PLM 'PALMITIC ACID                       ' non-polymer        49  18 .
PLO      PLO '(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE  ' non-polymer        55  23 .
PLP      PLP 'PYRIDOXAL-5'-PHOSPHATE              ' non-polymer        24  16 .
PLQ      PLQ '1,4-benzoquinone                    ' non-polymer        12   8 .
PLR      PLR '(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)' non-polymer        25  15 .
PLS      PLS '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer        36  22 .
PLT      PLT '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer        47  30 .
PLU      PLU 'LEUCINE PHOSPHONIC ACID             ' non-polymer        24  10 .
PLV      PLV 'N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONO' non-polymer        39  23 .
PLX      PLX '(9R,11S)-9-({[(1S)-1-HYDROXYHEXADECY' non-polymer       140  52 .
PLZ      PLZ '"4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHO' non-polymer        38  22 .
PM1      PM1 '[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IM' non-polymer        41  28 .
PM2      PM2 '1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3' non-polymer        59  30 .
PM3      PM3 '2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)' peptide            30  17 .
PM4      PM4 '"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXI' non-polymer        61  28 .
PM5      PM5 '"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXI' non-polymer        64  29 .
PM6      PM6 '9H-purine-6-thiol                   ' non-polymer        14  10 .
PM8      PM8 '"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXI' non-polymer        73  32 .
PM9      PM9 '"(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-' non-polymer        40  24 .
PMA      PMA 'PYROMELLITIC ACID                   ' non-polymer        20  18 .
PMB      PMB 'PARA-MERCURY-BENZENESULFONIC ACID   ' non-polymer        16  11 .
PMC      PMC '3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOX' non-polymer        21  14 .
PMD      PMD '[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL' non-polymer        45  28 .
PME      PME 'N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1' non-polymer        38  21 .
PMG      PMG '"N-({3-HYDROXY-2-METHYL-5-[(PHOSPHON' non-polymer        43  26 .
PMH      PMH '"(5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4' non-polymer        34  22 .
PMI      PMI '(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)P' non-polymer        26  14 .
PML      PML 'PIMELIC ACID                        ' non-polymer        21  11 .
PMM      PMM 'PTERIN-6-YL-METHYL-MONOPHOSPHATE    ' non-polymer        24  18 .
PMN      PMN 'PLATENSIMYCIN                       ' non-polymer        58  32 .
PMO      PMO 'N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METH' non-polymer        39  24 .
PMP      PMP '4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPH' non-polymer        27  16 .
PMR      PMR 'Protochlorophyllide                 ' non-polymer        76  45 .
PMS      PMS 'phenylmethanesulfonic acid          ' non-polymer        19  11 .
PMT      PMT '"PHOSPHORIC ACID MONO-[3-(3-{[5-(4-A' non-polymer        66  39 .
PMV      PMV '(3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONO' non-polymer        24  14 .
PMY      PMY 'AGLYCON OF PEPLOMYCIN               ' non-polymer       144  77 .
PMZ      PMZ '1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-P' non-polymer        45  23 .
PN1      PN1 '"(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLET' non-polymer        42  24 .
PN2      PN2 '.                                   ' non-polymer        52  27 .
PN5      PN5 '"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4' non-polymer        54  24 .
PNA      PNA '4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSI' pyranose           36  21 .
PNB      PNB '4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYC' non-polymer        40  24 .
PNC      PNC 'PARA-NITROBENZYL GLUTARYL GLYCINIC A' non-polymer        39  23 .
PND      PND 'P-NITROPHENYLHYDRAZINE              ' non-polymer        18  11 .
PNE      PNE 'PARA-NITROPHENYL PHOSPHONOBUTANOYL L' non-polymer        40  24 .
PNF      PNF '6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOS' non-polymer        49  27 .
PNG      PNG '4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSI' pyranose           36  21 .
PNH      PNH 'pentan-2-one                        ' non-polymer        16   6 .
PNI      PNI 'TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NI' non-polymer        89  53 .
PNJ      PNJ 'PNP-BETA-D-GLUCOSAMINE              ' non-polymer        38  21 .
PNK      PNK '"(2R,4S)-2-{(R)-carboxy[(phenylacety' non-polymer        42  24 .
PNM      PNM 'OPEN FORM - PENICILLIN G            ' non-polymer        42  23 .
PNN      PNN 'PENICILLIN G                        ' non-polymer        40  23 .
PNO      PNO 'P-METHYL AMINOPHOSPHINIC ACID       ' non-polymer        11   5 .
PNP      PNP 'METHYL-PHOSPHONIC ACID MONO-(4-NITRO' non-polymer        22  14 .
PNQ      PNQ 'P-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer        34  25 .
PNS      PNS '4'-PHOSPHOPANTETHEINE               ' non-polymer        43  22 .
PNT      PNT '1,5-BIS(4-AMIDINOPHENOXY)PENTANE    ' non-polymer        49  25 .
PNU      PNU '6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-Y' non-polymer        31  20 .
PNV      PNV '"(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-' non-polymer        41  24 .
PNW      PNW '4-nitrophenyl beta-D-glucopyranoside' pyranose           36  21 .
PNX      PNX '3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHY' non-polymer        38  20 .
PNZ      PNZ 'P-NITRO-BENZYLAMINE                 ' non-polymer        19  11 .
PO0      PO0 '1-BENZYL-(R)-PROPYLAMINE            ' non-polymer        26  11 .
PO1      PO1 '"(9BETA,13ALPHA,14BETA,17ALPHA)-2-ME' non-polymer        58  30 .
PO2      PO2 'HYPOPHOSPHITE                       ' non-polymer         3   3 .
PO3      PO3 'PHOSPHITE ION                       ' non-polymer         4   4 .
PO4      PO4 'PHOSPHATE ION                       ' non-polymer         5   5 .
PO5      PO5 '(2S)-1-(dimethylamino)-3-(4-{[4-(6-m' non-polymer        66  36 .
POA      POA 'PHOSPHONOACETALDEHYDE               ' non-polymer        12   7 .
POB      POB '2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHI' non-polymer        29  17 .
POD      POD '"9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL' non-polymer        52  30 .
POF      POF '"(4aS,4bR,10bS,12aS)-12a-methyl-1,3-' non-polymer        60  33 .
POG      POG '(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,' non-polymer        73  29 .
POH      POH '5,10,15,20-TETRA-(4-N-METHYLPYRIDYL)' non-polymer       108  52 .
POI      POI 'N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHY' non-polymer        48  27 .
POL      POL 'N-PROPANOL                          ' non-polymer        12   4 .
POM      POM 'CIS-5-METHYL-4-OXOPROLINE           ' P-peptide          18  10 .
PON      PON 'IMIDO DIPHOSPHATE                   ' non-polymer        11   9 .
POO      POO '"3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYL' non-polymer        75  37 .
POP      POP 'PYROPHOSPHATE 2-                    ' non-polymer         9   9 .
POQ      POQ '"BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHO' non-polymer        69  39 .
POR      POR 'PORPHYRIN FE(III)                   ' non-polymer        37  25 .
POS      POS '1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]' non-polymer        70  38 .
POT      POT '(1S)-1-(PHENOXYMETHYL)PROPYL METHYLP' non-polymer        32  16 .
POV      POV '"(2S)-3-(hexadecanoyloxy)-2-[(9Z)-oc' non-polymer       134  52 .
POX      POX '"4-amino-6-{[1-(3-fluorobenzyl)-1H-i' non-polymer        54  32 .
POZ      POZ '.                                   ' non-polymer        93  51 .
PP0      PP0 '"ethyl 4-[(4-benzylpiperazin-1-yl)ca' non-polymer        60  29 .
PP1      PP1 '1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,' non-polymer        40  21 .
PP2      PP2 '1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-' non-polymer        38  21 .
PP3      PP3 'ALANYL-PYRIDOXAL-5'-PHOSPHATE       ' non-polymer        35  21 .
PP4      PP4 '"METHYL (2S)-[1-((N-FORMYL)-L-VALYL)' non-polymer        70  38 .
PP5      PP5 '"METHYL (2S)-[1-((N-(NAPHTHALENEACET' non-polymer        70  38 .
PP6      PP6 'METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)' non-polymer        71  39 .
PP7      PP7 '"METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-' non-polymer        91  44 .
PP8      PP8 '"2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-V' non-polymer        90  43 .
PP9      PP9 'PROTOPORPHYRIN IX                   ' non-polymer        74  42 .
PPB      PPB '"1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-' non-polymer        59  32 .
PPC      PPC '5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) ' non-polymer        35  22 .
PPD      PPD '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        37  24 .
PPE      PPE '4-[(1,3-DICARBOXY-PROPYLAMINO)-METHY' non-polymer        41  25 .
PPF      PPF 'PHOSPHONOFORMIC ACID                ' non-polymer        10   7 .
PPG      PPG '"4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-' non-polymer        45  26 .
PPH      PPH '[(1R)-1-amino-2-phenylethyl]phosphon' non-polymer        25  13 .
PPI      PPI 'PROPANOIC ACID                      ' non-polymer        10   5 .
PPJ      PPJ 'N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PH' non-polymer        40  24 .
PPK      PPK '(DIPHOSPHONO)AMINOPHOSPHONIC ACID   ' non-polymer        17  13 .
PPL      PPL 'PIPERIDINE-2-CARBOXYLIC ACID TERT-BU' non-polymer        33  13 .
PPN      PPN 'PARA-NITROPHENYLALANINE             ' peptide            24  15 .
PPO      PPO '3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL    ' non-polymer        14  10 .
PPP      PPP '3-PHENYL-1,2-PROPANDIOL             ' non-polymer        23  11 .
PPQ      PPQ 'PHOSPHINOTHRICIN                    ' non-polymer        22  11 .
PPR      PPR 'PHOSPHONOPYRUVATE                   ' non-polymer        14  10 .
PPS      PPS '.                                   ' non-polymer        43  31 .
PPT      PPT '3-(P-TOLYL)PROPIONIC ACID           ' non-polymer        23  12 .
PPU      PPU 'PUROMYCIN-5'-MONOPHOSPHATE          ' non-polymer        66  38 .
PPV      PPV 'PYROPHOSPHATE                       ' non-polymer         9   9 .
PPW      PPW '7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-M' DNA                35  23 .
PPX      PPX '[PHENYLALANINYL-PROLINYL]-[2-(PYRIDI' non-polymer        55  28 .
PPY      PPY '3-PHENYLPYRUVIC ACID                ' non-polymer        19  12 .
PPZ      PPZ '2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETH' non-polymer        28  17 .
PQ0      PQ0 '2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO' non-polymer        18  13 .
PQ1      PQ1 '"PHOSPHORIC ACID MONO-[5-(2-AMINO-5-' RNA                42  26 .
PQ9      PQ9 '5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15' non-polymer       109  45 .
PQA      PQA '[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZ' non-polymer        49  28 .
PQB      PQB '[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZ' non-polymer        45  27 .
PQE      PQE '3,6,12,15,18,21,24-HEPTAOXAHEXATRIAC' non-polymer        97  37 .
PQN      PQN 'PHYLLOQUINONE                       ' non-polymer        79  33 .
PQQ      PQQ 'PYRROLOQUINOLINE QUINONE            ' non-polymer        27  24 .
PR0      PR0 '3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL   ' non-polymer        27  12 .
PR1      PR1 '4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]P' non-polymer        49  30 .
PR2      PR2 '"THIENO[3,2-B]PYRIDINE-2-SULFONIC AC' non-polymer        46  29 .
PR3      PR3 'S,S-PROPYLTHIOCYSTEINE              ' non-polymer        23  10 .
PR8      PR8 '5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2' non-polymer        50  30 .
PR9      PR9 'D-PROLINAMIDE                       ' non-polymer        18   8 .
PRA      PRA '3-PHENYLPROPYLAMINE                 ' non-polymer        24  10 .
PRB      PRB '13-ACETYLPHORBOL                    ' non-polymer        59  29 .
PRC      PRC 'N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PY' non-polymer        47  29 .
PR       PR  'PRASEODYMIUM ION                    ' non-polymer         1   1 .
PRD      PRD 'N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-' non-polymer        45  25 .
PRE      PRE 'PREPHENIC ACID                      ' non-polymer        24  16 .
PRF      PRF '7-DEAZA-7-AMINOMETHYL-GUANINE       ' non-polymer        22  13 .
PRH      PRH '6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOS' non-polymer        34  19 .
PRI      PRI 'PYRROLIDINE-2-CARBALDEHYDE          ' non-polymer        16   7 .
PRK      PRK 'N~6~-propanoyl-L-lysine             ' peptide            31  14 .
PRL      PRL 'PROFLAVIN                           ' non-polymer        27  16 .
PRM      PRM '3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONI' non-polymer        65  31 .
PRN      PRN '.                                   ' DNA                32  21 .
PRO      PRO 'PROLINE                             ' peptide            14   7 .
PRP      PRP 'ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC A' non-polymer        30  22 .
PRQ      PRQ '(3S)-3-amino-3-(2-nitrophenyl)propan' non-polymer        24  15 .
PRR      PRR '3-(METHYL-PYRIDINIUM)ALANINE        ' peptide            25  13 .
PRS      PRS 'THIOPROLINE                         ' non-polymer        14   8 .
PRT      PRT 'PHOSPHORIBOSYL ATP                  ' non-polymer        63  44 .
PRV      PRV '(2R)-amino(2-nitrophenyl)ethanoic ac' peptide            21  14 .
PRW      PRW '(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOI' non-polymer        17   9 .
PRX      PRX '.                                   ' non-polymer        45  26 .
PRY      PRY '2-PROPYL-ANILINE                    ' non-polymer        23  10 .
PRZ      PRZ '2-ISOBUTYL-3-METHOXYPYRAZINE        ' non-polymer        26  12 .
PS0      PS0 '3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL   ' non-polymer        27  12 .
PS1      PS1 '1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO' non-polymer        86  38 .
PS2      PS2 'O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOO' non-polymer       128  54 .
PS4      PS4 'N-({(2S)-1-[(3R)-3-amino-4-(3-chloro' non-polymer        60  32 .
PS5      PS5 'PENTASULFIDE-SULFUR                 ' non-polymer         5   5 .
PS6      PS6 'O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tet' non-polymer        86  38 .
PS9      PS9 'octathiocane                        ' non-polymer         8   8 .
PSA      PSA '3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ' non-polymer        29  15 .
PSB      PSB '3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO' non-polymer        57  36 .
PSC      PSC '"(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMET' non-polymer       132  52 .
PSD      PSD '5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE' non-polymer        52  30 .
PSE      PSE 'O-PHOSPHOETHANOLAMINE               ' non-polymer        18  10 .
PSF      PSF '1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERI' non-polymer        62  30 .
PSG      PSG 'PARA-NITROPHENYL 1-THIO-BETA-D-GLUCO' non-polymer        36  21 .
PSH      PSH '1-thiophosphono-L-histidine         ' peptide            24  15 .
PSI      PSI '"(2S,5S,8R,10S,11S,14R,17R)-8,17-dia' non-polymer        88  41 .
PSJ      PSJ 'D-psicose                           ' non-polymer        24  12 .
PSK      PSK '[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEX' non-polymer        27  12 .
PSL      PSL 'PYROSULFATE                         ' non-polymer         9   9 .
PSM      PSM 'N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFA' non-polymer        65  32 .
PSN      PSN 'BENZYL 2-FORMYLPHENYL HYDROGEN PHOSP' non-polymer        32  20 .
PSO      PSO '4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSO' non-polymer        33  19 .
PSP      PSP '1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDIN' non-polymer        39  21 .
PSQ      PSQ 'NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-' non-polymer        31  17 .
PSR      PSR '"THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY' non-polymer        54  27 .
PSS      PSS '(2S)-2-[(3R)-3-benzyl-2-oxopiperazin' non-polymer        45  22 .
PST      PST 'THYMIDINE-5'-THIOPHOSPHATE          ' non-polymer        36  21 .
PSU      PSU 'PSEUDOURIDINE-5'-MONOPHOSPHATE      ' RNA                32  21 .
PSV      PSV 'alpha-D-psicofuranose               ' non-polymer        24  12 .
PSW      PSW '3-(SULFANYLSELANYL)-L-ALANINE       ' peptide            14   8 .
PSX      PSX '[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHE' non-polymer        30  13 .
PSY      PSY 'phenyl ethenesulfonate              ' non-polymer        20  12 .
PSZ      PSZ '"4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHO' non-polymer        36  24 .
PT1      PT1 'PTEROIC ACID                        ' non-polymer        34  23 .
PT2      PT2 '"[ethane-1,2-diaminato(2-)-kappa~2~N' non-polymer        33  19 .
PT3      PT3 'N-PROPYL-TARTRAMIC ACID             ' non-polymer        25  13 .
PT4      PT4 'PLATINUM (IV) ION                   ' non-polymer         1   1 .
PT5      PT5 '"(1S)-2-{[(R)-hydroxy{[(1R,2R,3S,4R,' non-polymer       149  69 .
PTA      PTA '[(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PH' non-polymer        28  13 .
PTB      PTB '(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[' non-polymer        33  16 .
PTC      PTC '2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-' non-polymer        32  21 .
PT       PT  'PLATINUM (II) ION                   ' non-polymer         1   1 .
PTD      PTD 'PENTANEDIAL                         ' non-polymer        15   7 .
PTE      PTE 'TUNGSTOPTERIN COFACTOR              ' non-polymer        77  52 .
PTF      PTF '[(METHYLSULFANYL)METHYL]BENZENE     ' non-polymer        19   9 .
PTG      PTG '(5E,14E)-11-oxoprosta-5,9,12,14-tetr' non-polymer        50  23 .
PTH      PTH 'CE1-METHYLENE-HYDROXY-PHOSPHOTYROSIN' peptide            30  19 .
PTI      PTI '2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHO' non-polymer        64  32 .
PTK      PTK 'pyrene-1,3,6,8-tetrasulfonic acid   ' non-polymer        42  32 .
PTL      PTL 'PENTANAL                            ' non-polymer        16   6 .
PTM      PTM 'ALPHA-METHYL-O-PHOSPHOTYROSINE      ' peptide            29  18 .
PTN      PTN 'PLATINUM TRIAMINE ION               ' non-polymer        13   4 .
PTO      PTO 'PSEUDOTROPINE                       ' non-polymer        25  10 .
PTR      PTR 'O-PHOSPHOTYROSINE                   ' peptide            26  17 .
PTS      PTS '"(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-' non-polymer        29  17 .
PTT      PTT '.                                   ' non-polymer        78  52 .
PTU      PTU '2-ETHYL-1-PHENYL-ISOTHIOUREA        ' non-polymer        24  12 .
PTX      PTX '"{[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)' non-polymer        29  18 .
PTY      PTY 'PHOSPHATIDYLETHANOLAMINE            ' non-polymer       129  50 .
PU0      PU0 '9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-F' non-polymer        48  26 .
PU1      PU1 '8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)' non-polymer        51  30 .
PU2      PU2 '8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H' non-polymer        36  22 .
PU3      PU3 '9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9' non-polymer        52  27 .
PU4      PU4 '9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN' non-polymer        44  23 .
PU5      PU5 '9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN' non-polymer        44  23 .
PU6      PU6 '8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUT' non-polymer        43  24 .
PU7      PU7 '9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-' non-polymer        48  25 .
PU8      PU8 '9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY' non-polymer        52  28 .
PU9      PU9 '8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)' non-polymer        51  29 .
PUA      PUA 'ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-UR' non-polymer        71  50 .
PUB      PUB 'PHYCOUROBILIN                       ' non-polymer        83  43 .
PU       PU  'PUROMYCIN-N-AMINOPHOSPHONIC ACID    ' non-polymer        68  38 .
PUG      PUG '3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-' non-polymer        35  21 .
PUL      PUL '.                                   ' non-polymer       126  60 .
PUR      PUR 'PURINE RIBOSIDE                     ' non-polymer        31  18 .
PUT      PUT '1,4-DIAMINOBUTANE                   ' non-polymer        18   6 .
PUX      PUX '8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUT' non-polymer        43  25 .
PUY      PUY 'PUROMYCIN                           ' non-polymer        63  34 .
PUZ      PUZ '8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-' non-polymer        47  27 .
PVA      PVA '1-AMINO-2-METHYL-PROPYLPHOSPHONIC AC' non-polymer        21   9 .
PVB      PVB 'PURVALANOL B                        ' non-polymer        54  30 .
PVC      PVC '(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(P' non-polymer        69  30 .
PVD      PVD '.                                   ' non-polymer       178  94 .
PVE      PVE '(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOY' non-polymer        43  27 .
PVH      PVH 'HISTIDINE-METHYL-ESTER              ' non-polymer        24  12 .
PVN      PVN 'PHYCOVIOLOBILIN                     ' non-polymer        82  44 .
PVS      PVS '(ethenylsulfonyl)benzene            ' non-polymer        19  11 .
PX1      PX1 '(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-' non-polymer        36  23 .
PX2      PX2 '1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE' non-polymer        87  36 .
PX4      PX4 '1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHO' non-polymer       118  46 .
PX5      PX5 '4-(1,3-benzothiazol-2-yl)-4-hydroxyc' non-polymer        26  17 .
PX6      PX6 '1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHA' non-polymer       111  44 .
PX8      PX8 '1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHAT' non-polymer       123  48 .
PXA      PXA '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer        33  22 .
PXB      PXB 'parecoxib                           ' non-polymer        44  26 .
PXC      PXC 'phenazine-1,6-dicarboxylic acid     ' non-polymer        26  20 .
PXF      PXF '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer        34  23 .
PXG      PXG '3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZ' non-polymer        39  25 .
PXI      PXI '4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-ME' non-polymer        75  32 .
PXL      PXL '3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYL' non-polymer        21  12 .
PXM      PXM '4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-' non-polymer        24  12 .
PXN      PXN '(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy' non-polymer        61  25 .
PXO      PXO '(1Z)-propanal oxime                 ' non-polymer        12   5 .
PXP      PXP 'PYRIDOXINE-5'-PHOSPHATE             ' non-polymer        26  16 .
PXS      PXS '(2S)-propane-1,2-diyl dihexadecanoat' non-polymer       107  39 .
PXT      PXT 'PECTENOTOXIN-2                      ' non-polymer       129  61 .
PXX      PXX 'N-1,10-phenanthrolin-5-ylacetamide  ' non-polymer        29  18 .
PXY      PXY 'PARA-XYLENE                         ' non-polymer        18   8 .
PXZ      PXZ '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer        34  22 .
PY0      PY0 '(1S,2S)-1-amino-1,2-dihydroxypropan-' non-polymer        15   7 .
PY1      PY1 '4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QU' non-polymer        33  21 .
PY2      PY2 '3-(MERCAPTOMETHYLENE)PYRIDINE       ' non-polymer        15   8 .
PY3      PY3 '5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AM' non-polymer        88  48 .
PY4      PY4 '2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTY' non-polymer        38  22 .
PY5      PY5 '2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTA' non-polymer        41  23 .
PY6      PY6 '2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXAN' non-polymer        44  24 .
PY7      PY7 'PYRIDIN-4-YLMETHANOL                ' non-polymer        15   8 .
PY8      PY8 '"6-BROMO-13-THIA-2,4,8,12,19-PENTAAZ' non-polymer        36  22 .
PY9      PY9 '4-{[(2R)-2-(2-methylphenyl)pyrrolidi' non-polymer        41  22 .
PYA      PYA '3-(1,10-PHENANTHROL-2-YL)-L-ALANINE ' peptide            32  20 .
PYB      PYB '4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYL' non-polymer        17  10 .
PYC      PYC 'PYRROLE-2-CARBOXYLATE               ' non-polymer        12   8 .
PYD      PYD '2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE    ' non-polymer        18   9 .
PYE      PYE 'TETRAHYDROPYRAN                     ' non-polymer        16   6 .
PYF      PYF '3-PYRIDINYLCARBINOL                 ' non-polymer        15   8 .
PYG      PYG 'BENZENE-1,2,3-TRIOL                 ' non-polymer        15   9 .
PYH      PYH 'N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-' non-polymer        38  18 .
PYI      PYI '1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        45  27 .
PYL      PYL 'PHENYLETHANE                        ' non-polymer        18   8 .
PYM      PYM 'PYRUVAMIDE                          ' non-polymer        11   6 .
PYN      PYN '3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN' non-polymer        67  34 .
PYO      PYO '1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2' RNA                31  20 .
PYP      PYP '2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOP' non-polymer        45  28 .
PYQ      PYQ 'PYROQUILON                          ' non-polymer        24  13 .
PYR      PYR 'PYRUVIC ACID                        ' non-polymer         9   6 .
PYS      PYS '2-PYRIDINETHIOL                     ' non-polymer        12   7 .
PYT      PYT '2-AMINOPROP-2-ENAMIDE               ' non-polymer        12   6 .
PYU      PYU '2-(1H-pyrrol-1-ylcarbonyl)benzene-1,' non-polymer        25  16 .
PYV      PYV '4-bromo-N-(pyridin-2-ylmethyl)naphth' non-polymer        35  22 .
PYX      PYX 'S-[S-THIOPYRIDOXAMINYL]CYSTEINE     ' peptide            35  19 .
PYY      PYY 'D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSP' non-polymer        32  19 .
PYZ      PYZ '4-IODOPYRAZOLE                      ' non-polymer         9   6 .
PZ1      PZ1 '(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DI' non-polymer        84  43 .
PZ2      PZ2 '3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyri' non-polymer        41  27 .
PZA      PZA 'PYRAZINE-2-CARBOXAMIDE              ' non-polymer        14   9 .
PZD      PZD '(11aS)-7,8-dimethoxy-2-naphthalen-2-' non-polymer        51  29 .
PZF      PZF '(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)' non-polymer        47  29 .
PZI      PZI '2-(2-oxopyrrolidin-1-yl)acetamide   ' non-polymer        20  10 .
PZL      PZL '3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3' non-polymer        38  28 .
PZM      PZM '1-(4-METHOXYPHENYL)METHANAMINE      ' non-polymer        21  10 .
PZN      PZN '"3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FUR' non-polymer        85  41 .
PZO      PZO 'PYRAZOLE                            ' non-polymer         9   5 .
PZP      PZP '[5-hydroxy-4-(iminomethyl)-6-methyl-' non-polymer        25  16 .
PZQ      PZQ 'PRAZIQUANTEL                        ' non-polymer        47  23 .
PZZ      PZZ '3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDO' non-polymer        37  17 .
Q22      Q22 '(4aS)-5-[(2,4-diaminopteridin-6-yl)m' non-polymer        48  29 .
Q2Y      Q2Y '"4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLA' non-polymer        62  38 .
Q4A      Q4A 'N-(1-benzylpiperidin-4-yl)-6,7-dimet' non-polymer        74  36 .
Q50      Q50 '"{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-' non-polymer        97  50 .
Q74      Q74 '"2-(3-((4,5,7-trifluorobenzo[d]thiaz' non-polymer        35  26 .
Q80      Q80 '2-({[(2R,4S)-2-[2-(4-chlorophenyl)et' non-polymer        53  32 .
Q82      Q82 '{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer        82  44 .
Q86      Q86 '4-phenyl-1-(1H-1,2,4-triazol-1-yl)bu' non-polymer        29  16 .
Q88      Q88 '9H-purine-6,8-diamine               ' non-polymer        17  11 .
QDS      QDS 'N-(quinoxalin-2-ylcarbonyl)-D-serine' non-polymer        29  19 .
QED      QED '"N,N'-{[(2-{[(2,3-dihydroxyphenyl)ca' non-polymer        68  40 .
QEI      QEI '2-amino-5-({[(1S,4S,5R)-4,5-dihydrox' non-polymer        35  20 .
QFI      QFI '"({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXA' non-polymer        86  45 .
QGA      QGA '1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXY' non-polymer        58  25 .
QGG      QGG '1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)' non-polymer        41  26 .
QIC      QIC '(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycy' non-polymer        24  13 .
QIG      QIG 'N-1H-indazol-5-yl-2-(6-methylpyridin' non-polymer        43  27 .
QIN      QIN 'N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHY' non-polymer        71  34 .
QIX      QIX 'N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAP' non-polymer        73  39 .
QKH      QKH 'Methyl-cyclo-hepta-amylose          ' non-polymer       168  84 .
QL2      QL2 '6-[(3,5-difluorophenyl)amino]-9-ethy' non-polymer        32  22 .
QLG      QLG '"[(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMI' non-polymer        38  21 .
QLP      QLP 'N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPH' non-polymer        42  25 .
QMS      QMS 'N-(QUINOLIN-8-YL)METHANESULFONAMIDE ' non-polymer        25  15 .
QN1      QN1 '"4,4'-[(3S,4S)-pyrrolidine-3,4-diylb' non-polymer        84  53 .
QN2      QN2 'N,N'-(3S,4S)-pyrrolidine-3,4-diylbis' non-polymer        70  41 .
QN3      QN3 'N,N'-(3S,4S)-pyrrolidine-3,4-diylbis' non-polymer        70  41 .
QNC      QNC 'quinoline-2-carboxylic acid         ' non-polymer        19  13 .
QND      QND 'QUINALDIC ACID                      ' non-polymer        19  13 .
QNO      QNO '2-NONYL-4-HYDROXYQUINOLINE N-OXIDE  ' non-polymer        46  21 .
QPP      QPP 'N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENY' non-polymer        38  23 .
QPT      QPT '.                                   ' .                  25  13 .
QPS      QPS 'BETA-ACARBOSE                       ' non-polymer        87  44 .
QPU      QPU '1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S' non-polymer        67  32 .
QQ1      QQ1 '2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMI' non-polymer        50  28 .
QQ2      QQ2 '[(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(' non-polymer        60  33 .
QQ3      QQ3 '"(3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHY' non-polymer        41  24 .
QQQ      QQQ '1-(1-methylethyl)-1H-benzimidazole-2' non-polymer        28  16 .
QSI      QSI '5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADE' non-polymer        54  32 .
QSO      QSO '5,7-dihydroxy-3-(4-methoxyphenyl)-4H' non-polymer        33  21 .
QUA      QUA '8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLIN' non-polymer        29  17 .
QUD      QUD '2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYC' non-polymer        72  35 .
QUE      QUE '3,5,7,3',4'-PENTAHYDROXYFLAVONE     ' non-polymer        32  22 .
QUI      QUI '2-CARBOXYQUINOXALINE                ' non-polymer        18  13 .
QUM      QUM 'QUINACRINE MUSTARD                  ' non-polymer        58  30 .
QUN      QUN 'QUINACRINE                          ' non-polymer        58  28 .
QUO      QUO '"2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-' RNA                57  33 .
QUS      QUS '(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXAD' non-polymer        19  13 .
QV4      QV4 '4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[al' non-polymer       108  55 .
QYT      QYT '(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,' non-polymer        25  18 .
R01      R01 '(4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1' non-polymer        49  27 .
R02      R02 '{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)A' non-polymer        54  28 .
R03      R03 'ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHY' non-polymer        59  29 .
R04      R04 '(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5' non-polymer        51  28 .
R10      R10 '5-O-phosphono-D-ribonic acid        ' non-polymer        23  15 .
R11      R11 '4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZ' non-polymer        57  32 .
R12      R12 '9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,' non-polymer        45  22 .
R13      R13 '"3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6' non-polymer        54  25 .
R15      R15 'N,N'-(heptane-1,7-diyldicarbamoyl)bi' non-polymer        61  35 .
R16      R16 'HEXADECANE                          ' non-polymer        50  16 .
R17      R17 'ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFU' non-polymer        48  26 .
R18      R18 '(17BETA)-17-HYDROXY-17-METHYLESTRA-4' non-polymer        45  21 .
R19      R19 'ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFU' non-polymer        56  28 .
R1A      R1A '"3-{[(2,2,5,5-TETRAMETHYL-1-OXO-2,5-' peptide            39  19 .
R1B      R1B '"3-{[(2,2,4,5,5-PENTAMETHYL-1-OXO-2,' peptide            42  20 .
R1C      R1C '"bis(2,2'-bipyridine-kappa~2~N~1~,N~' non-polymer        71  45 .
R1F      R1F '"3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PH' peptide            49  25 .
R1P      R1P 'RIBOSE-1-PHOSPHATE                  ' furanose           23  14 .
R1T      R1T '"2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        49  29 .
R1X      R1X '1,4-anhydro-D-ribitol               ' furanose           19   9 .
R20      R20 '4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE' non-polymer        21  12 .
R22      R22 '4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-Y' non-polymer        46  26 .
R23      R23 '"METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-' non-polymer        64  31 .
R24      R24 '1-[3-tert-butyl-1-(4-methylphenyl)-1' non-polymer        69  40 .
R2B      R2B '1,4-anhydro-D-erythro-pent-1-enitol ' non-polymer        17   9 .
R2C      R2C '5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]' non-polymer        41  25 .
R2G      R2G '2,5-anhydro-4-deoxy-D-erythro-pent-4' non-polymer        16   8 .
R2P      R2P '(2R)-2-amino-3-(4-hydroxy-1,2,5-thia' peptide            18  12 .
R36      R36 '4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOX' non-polymer        80  39 .
R37      R37 '3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOX' non-polymer        80  39 .
R39      R39 '1-[3-tert-butyl-1-(4-methylphenyl)-1' non-polymer        70  35 .
R46      R46 'N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-' non-polymer        55  28 .
R48      R48 '1-{3-[(6-aminoquinazolin-4-yl)amino]' non-polymer        68  38 .
R49      R49 '1-{4-[(6-aminoquinolin-4-yl)amino]ph' non-polymer        69  38 .
R4A      R4A '"BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KA' non-polymer       114  53 .
R52      R52 '5-O-phosphono-D-ribose              ' non-polymer        23  14 .
R55      R55 'N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1' non-polymer        81  42 .
R56      R56 '"5-OXO-6-PHENYLMETHANESULFONYLAMINO-' non-polymer        59  31 .
R5A      R5A 'RUTHENIUM WIRE, 5 CARBON LINKER     ' non-polymer       115  54 .
R5B      R5B 'RUTHENIUM WIRE WC5                  ' non-polymer       115  54 .
R5P      R5P 'RIBOSE-5-PHOSPHATE                  ' non-polymer        25  14 .
R64      R64 '(1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHY' non-polymer        54  30 .
R68      R68 'N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERI' non-polymer        81  43 .
R69      R69 'N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROX' non-polymer        68  37 .
R6A      R6A 'RUTHENIUM WIRE, 6 CARBON LINKER     ' non-polymer       118  55 .
R6C      R6C '(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9' non-polymer        51  26 .
R6G      R6G 'RHODAMINE 6G                        ' non-polymer        81  41 .
R71      R71 '[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY' non-polymer        55  28 .
R78      R78 '4-{[(7R)-8-cyclopentyl-7-ethyl-5-met' non-polymer        77  38 .
R79      R79 'N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISO' non-polymer        55  28 .
R7A      R7A '"3-S-[(4-BROMO-2,2,5,5-TETRAMETHYL-1' peptide            39  20 .
R7U      R7U 'RUTHENIUM WIRE, 7 CARBON LINKER     ' non-polymer       121  56 .
R86      R86 '2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-ME' non-polymer        72  37 .
R88      R88 '(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPRO' non-polymer        47  25 .
R8D      R8D '3-chloro-5-[2-chloro-5-(1H-pyrazolo[' non-polymer        40  28 .
R8E      R8E '3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyr' non-polymer        42  29 .
R94      R94 'N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YL' non-polymer        75  40 .
R96      R96 'N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1' non-polymer        81  42 .
R99      R99 'N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-' non-polymer        53  26 .
R9A      R9A 'RUTHENIUM WIRE, 9 CARBON LINKER     ' non-polymer       127  58 .
RA2      RA2 '1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL' non-polymer        50  25 .
RA4      RA4 'N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[A' non-polymer        70  35 .
RA8      RA8 'N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[A' non-polymer        72  34 .
RAB      RAB '2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETH' non-polymer        32  19 .
RAC      RAC '4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMO' non-polymer        42  25 .
RAD      RAD 'C49-METHYL RAPAMYCIN                ' non-polymer       147  66 .
RAE      RAE '2-DEOXY-ALPHA-RHAMNOSE              ' pyranose           22  10 .
RAF      RAF 'raffinose                           ' pyranose           66  34 .
RAG      RAG 'ARGIFIN                             ' non-polymer        87  48 .
RAJ      RAJ 'N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TR' non-polymer        68  39 .
RAL      RAL 'RALOXIFENE                          ' non-polymer        61  34 .
RAM      RAM 'ALPHA-L-RHAMNOSE                    ' pyranose           23  11 .
RAN      RAN '"PHOSPHORIC ACID MONO-[3,4,6-TRIHYDR' non-polymer        35  19 .
RAO      RAO '1-O-METHYL-ALPHA-RHAMNOSE           ' pyranose           26  12 .
RAP      RAP 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG    ' non-polymer       144  65 .
RAR      RAR '5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1' non-polymer        66  36 .
RAS      RAS 'N-PROPARGYL-1(R)-AMINONDAN          ' non-polymer        26  13 .
RAT      RAT 'D-arabinaric acid                   ' non-polymer        18  12 .
RAZ      RAZ '(1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-' non-polymer        41  15 .
RB1      RB1 '3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO' non-polymer        41  22 .
RB2      RB2 '2-({4-CHLORO-2-[HYDROXY(METHOXY)METH' non-polymer        37  17 .
RB3      RB3 '"(1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-' non-polymer        42  20 .
RBC      RBC '"4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-N' non-polymer        70  38 .
RB       RB  'RUBIDIUM ION                        ' non-polymer         1   1 .
RBE      RBE '3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]O' non-polymer        37  20 .
RBF      RBF 'RIBOFLAVIN                          ' non-polymer        47  27 .
RBP      RBP '(3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHT' non-polymer        47  25 .
RBS      RBS 'N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-AC' non-polymer        36  22 .
RBT      RBT 'RIFABUTIN                           ' non-polymer       123  61 .
RBU      RBU '.                                   ' non-polymer        50  30 .
RBY      RBY 'METHYLENE ADP-BETA-XYLOSE           ' non-polymer        61  36 .
RBZ      RBZ 'ALPHA-RIBAZOLE-5'-PHOSPHATE         ' non-polymer        41  24 .
RC1      RC1 '"[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-' non-polymer        37  25 .
RC7      RC7 '"{(2R)-4-(4-HYDROXYBENZYL)-2-[2-(1H-' non-polymer        42  25 .
RC8      RC8 '(2R)-2-({9-(1-methylethyl)-6-[(4-pyr' non-polymer        61  32 .
RCA      RCA '6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-D' non-polymer        37  21 .
RCB      RCB '"4-nitrophenyl beta-D-glucopyranosyl' non-polymer        78  43 .
RCC      RCC '.                                   ' non-polymer        83  46 .
R        R   '.                                   ' DNA                51  31 .
RCL      RCL 'RICINOLEIC ACID                     ' non-polymer        54  21 .
RCO      RCO 'RESORCINOL                          ' non-polymer        14   8 .
RCP      RCP '(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPH' non-polymer        71  36 .
RCY      RCY '"S-[(3S,3'R)-1'-hydroxy-2',2',5',5'-' peptide            48  24 .
RDA      RDA '"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROX' non-polymer        46  28 .
RDC      RDC 'RADICICOL                           ' non-polymer        42  25 .
RDD      RDD '1-beta-D-ribofuranosyl-1,3,5-triazin' non-polymer        29  18 .
RDE      RDE '2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ET' non-polymer        47  27 .
RDF      RDF 'N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXY' non-polymer        70  37 .
RDI      RDI 'RADICICOL                           ' non-polymer        48  25 .
RDL      RDL '6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE ' non-polymer        37  23 .
RDR      RDR '4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFO' non-polymer        54  33 .
RE1      RE1 'GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINO' non-polymer        43  22 .
RE2      RE2 '5-[2-(4-hydroxyphenyl)ethyl]benzene-' non-polymer        31  17 .
RE9      RE9 '"6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIM' non-polymer        49  22 .
REA      REA 'RETINOIC ACID                       ' non-polymer        49  22 .
REB      REB '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        42  25 .
REC      REC 'CEPHALOSPORIN                       ' non-polymer        44  26 .
RE       RE  'RHENIUM                             ' non-polymer         1   1 .
RED      RED 'DIHYDROLIPOIC ACID                  ' non-polymer        27  12 .
REE      REE '2-(2-carboxyethyl)-1,1,1-trimethyldi' non-polymer        24  10 .
REF      REF '2,3,7,8-tetrahydroxychromeno[5,4,3-c' non-polymer        28  22 .
REL      REL 'D-glucuronic acid                   ' non-polymer        22  13 .
REM      REM 'Nalpha-[(2S)-2-benzyl-3-(tert-butyls' non-polymer        94  44 .
REN      REN '(S)-reticuline                      ' non-polymer        47  24 .
REO      REO 'PERRHENATE                          ' non-polymer         5   5 .
REP      REP '(1,10 PHENANTHROLINE)-(TRI-CARBON MO' non-polymer        29  21 .
REQ      REQ '(4,7-DIMETHYL-1,10-PHENANTHROLINE-KA' non-polymer        44  23 .
RER      RER '(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy' pyranose           26  11 .
RES      RES '4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID' non-polymer        22  14 .
RET      RET 'RETINAL                             ' non-polymer        49  21 .
REW      REW '"(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2' non-polymer        65  38 .
REX      REX 'GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL' non-polymer        51  26 .
REY      REY 'GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL' non-polymer        41  21 .
REZ      REZ '(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL' non-polymer        33  17 .
RF1      RF1 'tert-butyl 4-(3-thiophen-2-yl-1,2,4-' non-polymer        44  23 .
RF2      RF2 '3-(4-fluorophenyl)-5-phenyl-4H-1,2,4' non-polymer        28  18 .
RF3      RF3 '1-(thiophen-2-ylacetyl)-4-(3-thiophe' non-polymer        41  24 .
RF5      RF5 '1,4-anhydro-2-deoxy-2-fluoro-5-O-pho' non-polymer        21  13 .
RFA      RFA '.                                   ' non-polymer       145  70 .
RFB      RFB '.                                   ' non-polymer       145  70 .
RFC      RFC '(R)-IBUPROFENOYL-COENZYME A         ' non-polymer       111  62 .
RFL      RFL '8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-AD' non-polymer        89  55 .
RFP      RFP 'RIFAMPICIN                          ' non-polymer       117  59 .
RFX      RFX '(3R)-N-methyl-3-phenyl-3-[4-(trifluo' non-polymer        40  22 .
RFZ      RFZ '5,6-dichloro-1-beta-D-ribofuranosyl-' non-polymer        32  20 .
RG1      RG1 'RHODOPIN GLUCOSIDE                  ' non-polymer       118  52 .
RGA      RGA 'REIDISPONGIOLIDE A                  ' non-polymer       155  68 .
RGC      RGC 'REIDISPONGIOLIDE C                  ' non-polymer       149  66 .
RGG      RGG '(2R)-2,3-dihydroxypropyl beta-D-gala' pyranose           35  17 .
RGI      RGI 'METHYLCARBAMIC ACID                 ' non-polymer        10   5 .
RGL      RGL 'ARGINAL                             ' non-polymer        26  11 .
RGP      RGP 'GAMMA-GLUTAMYL PHOSPHATE            ' non-polymer        21  14 .
RGS      RGS '4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTY' non-polymer        68  40 .
RGT      RGT '"2-amino-9-{5-O-[(R)-hydroxy{[(R)-hy' non-polymer        64  45 .
RH1      RH1 '2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL' non-polymer        31  17 .
RH3      RH3 'RHODIUM(III) ION                    ' non-polymer         1   1 .
RH9      RH9 'RHIZOPODIN                          ' non-polymer       228 104 .
RHA      RHA '6-DEOXY-MANNOSE-1'-PHOSPHATE        ' pyranose           26  15 .
RHC      RHC '5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANY' non-polymer        33  17 .
RH       RH  'Rhodium                             ' non-polymer         1   1 .
RHD      RHD 'RHODIUM HEXAMINE ION                ' non-polymer        19   7 .
RHM      RHM 'DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIA' non-polymer        56  29 .
RHO      RHO 'TETRAMETHYLRHODAMINE-5-MALEIMIDE    ' non-polymer        60  36 .
RHP      RHP '(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL ' non-polymer        27  14 .
RHQ      RHQ 'RHODAMINE 6G                        ' non-polymer        64  33 .
RHS      RHS '3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TER' non-polymer        43  17 .
RHX      RHX '[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL' non-polymer        48  29 .
RIA      RIA '2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-' non-polymer        55  36 .
RIB      RIB 'RIBOSE                              ' furanose           20  10 .
RID      RID '"(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-' non-polymer        77  41 .
RIE      RIE '"(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-' non-polymer        73  38 .
RIF      RIF 'RIFAMYCIN CGP 4832                  ' non-polymer       132  67 .
RIG      RIG 'ARGADIN                             ' non-polymer        87  48 .
RIL      RIL '[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL' non-polymer        41  18 .
RIM      RIM 'RIMANTADINE                         ' non-polymer        34  13 .
RIN      RIN '3-AMINO-AZACYCLOTRIDECAN-2-ONE      ' non-polymer        39  15 .
RIO      RIO 'RIBOSTAMYCIN                        ' non-polymer        65  31 .
RIP      RIP 'RIBOSE(PYRANOSE FORM)               ' pyranose           20  10 .
RIS      RIS '1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE ' non-polymer        28  17 .
RIT      RIT 'RITONAVIR                           ' non-polymer        98  50 .
RIV      RIV '"5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxo' non-polymer        47  29 .
RJ1      RJ1 'N-[2-chloro-5-(trifluoromethyl)pheny' non-polymer        27  18 .
RJ6      RJ6 'N-(3,5-dimethoxyphenyl)imidodicarbon' non-polymer        32  17 .
RKA      RKA 'N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHEN' non-polymer        60  35 .
RKS      RKS '"methyl N~6~-acetyl-N~2~-[(2,3-dihyd' non-polymer        74  38 .
RL2      RL2 'N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-' non-polymer        53  26 .
RLP      RLP '3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL)' non-polymer        44  27 .
RLT      RLT 'N-(4-fluorobenzyl)-5-hydroxy-1-methy' non-polymer        53  32 .
RM1      RM1 'N-METHYL-1(R)-AMINOINDAN            ' non-polymer        24  11 .
RM2      RM2 '4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDA' non-polymer        27  14 .
RM4      RM4 '6-deoxy-beta-L-mannopyranose        ' non-polymer        23  11 .
RMA      RMA 'N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N' non-polymer        29  14 .
RMB      RMB 'N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METH' non-polymer        38  23 .
RMC      RMC '(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-I' non-polymer        55  27 .
RMN      RMN '(R)-MANDELIC ACID                   ' non-polymer        18  11 .
RMP      RMP '2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLP' non-polymer        38  22 .
RNA      RNA '4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURY' non-polymer        38  24 .
RNG      RNG '"(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,' non-polymer        32  16 .
RNO      RNO '(R)-PARA-NITROSTYRENE OXIDE         ' non-polymer        19  12 .
RNP      RNP '(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPH' non-polymer        38  19 .
RNR      RNR '3,6-bis(3-(3'-(R)-fluoropyrrolindino' non-polymer        67  36 .
RNS      RNS 'L-RHAMNOSE                          ' non-polymer        23  11 .
RNT      RNT 'L-RHAMNITOL                         ' non-polymer        25  11 .
RO0      RO0 '1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOX' non-polymer        78  40 .
RO1      RO1 '(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-' non-polymer       103  50 .
RO2      RO2 '3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H' non-polymer        55  32 .
RO3      RO3 'N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-Y' non-polymer        30  20 .
RO4      RO4 '"[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL' non-polymer        63  28 .
RO5      RO5 'N-[(5-bromo-1,3-thiazol-2-yl)carbamo' non-polymer        33  21 .
RO6      RO6 '3-(2-chlorophenyl)-7-[(trans-4-hydro' non-polymer        46  26 .
RO7      RO7 '"(2S)-2-methoxy-3-{4-[2-(5-methyl-2-' non-polymer        53  31 .
ROC      ROC '"N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8' non-polymer        99  49 .
ROF      ROF '3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLO' non-polymer        40  26 .
ROI      ROI '7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPT' non-polymer        26  15 .
ROK      ROK '4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOY' non-polymer        30  17 .
ROL      ROL 'ROLIPRAM                            ' non-polymer        41  20 .
ROM      ROM 'C-1027 AROMATIZED CHROMOPHORE       ' non-polymer       105  60 .
ROP      ROP 'PROPIONAMIDE                        ' non-polymer        12   5 .
ROS      ROS 'N,N'-TETRAMETHYL-ROSAMINE           ' non-polymer        49  26 .
ROX      ROX 'ROXITHROMYCIN                       ' non-polymer       134  58 .
RP1      RP1 '6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETR' non-polymer        34  22 .
RP4      RP4 '"(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(P' non-polymer        42  25 .
RP5      RP5 'RIBOSE-5-PHOSPHATE, PYRANOSE FORM   ' non-polymer        23  14 .
RPA      RPA 'RHODOPINAL GLUCOSIDE                ' non-polymer       119  53 .
RPD      RPD '.                                   ' non-polymer        49  30 .
RPF      RPF '1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOX' non-polymer        76  39 .
RPH      RPH '6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALD' non-polymer        27  12 .
RPL      RPL '.                                   ' non-polymer        49  30 .
RPN      RPN '(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHA' non-polymer        23  15 .
RPP      RPP '2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1' non-polymer        34  20 .
RPR      RPR '.                                   ' non-polymer        64  34 .
RPT      RPT 'RIFAPENTINE                         ' non-polymer       127  63 .
RPX      RPX 'C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSA' non-polymer       143  66 .
RQ3      RQ3 '2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL' non-polymer        47  25 .
RR1      RR1 '"5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLA' non-polymer        56  40 .
RR6      RR6 '"3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-H' non-polymer        97  72 .
RR8      RR8 '"(3R,4R)-1-METHANESULFONYL-PYRROLIDI' non-polymer        58  36 .
RRC      RRC 'R-ROSCOVITINE                       ' non-polymer        52  26 .
RRP      RRP '3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)S' non-polymer        49  30 .
RRR      RRR '4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]' non-polymer        45  28 .
RRS      RRS 'N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-' non-polymer        69  33 .
RRT      RRT '(R)-RETRO-THIORPHAN                 ' non-polymer        31  17 .
RS1      RS1 '"4-[4-(4-CHLORO-PHENOXY)-BENZENESULF' non-polymer        48  28 .
RS2      RS2 'N-HYDROXY-2-[4-(4-PHENOXY-BENZENESUL' non-polymer        48  27 .
RS3      RS3 '1-deoxy-1-[8-(dimethylamino)-7-methy' non-polymer        52  29 .
RS7      RS7 '(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLI' non-polymer        38  19 .
RSA      RSA 'N-PROPARGYL-1(S)-AMINOINDAN         ' non-polymer        26  13 .
RSD      RSD 'RESPINOMYCIN D                      ' non-polymer       150  75 .
RSF      RSF '(3R,3aS,6aR)-hexahydrofuro[2,3-b]fur' non-polymer        19   9 .
RSH      RSH '3-DEOXY-D-LYXO-HEXONIC ACID         ' non-polymer        23  12 .
RSM      RSM '(2S)-2-(acetylamino)-N-methyl-4-[(R)' non-polymer        30  14 .
RSO      RSO 'R-STYRENE OXIDE                     ' non-polymer        17   9 .
RSQ      RSQ '.                                   ' RNA                35  23 .
RSS      RSS '"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCL' non-polymer        66  32 .
RSX      RSX '(4aS,7aR)-octahydro-1H-cyclopenta[b]' non-polymer        34  17 .
RT3      RT3 '"S-{2-[(2-chloro-4-sulfamoylphenyl)a' non-polymer        49  29 .
RT7      RT7 '"S-{2-[(2-chloro-4-sulfamoylphenyl)a' non-polymer        46  30 .
RT8      RT8 'NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CA' non-polymer        58  30 .
RTA      RTA '.                                   ' non-polymer        73  31 .
RTB      RTB '.                                   ' non-polymer        52  33 .
RTC      RTC 'RHENIUM (I) TRICARBONYL             ' non-polymer         7   7 .
RTL      RTL 'RETINOL                             ' non-polymer        51  21 .
RTP      RTP 'RIBAVIRIN TRIPHOSPHATE              ' non-polymer        40  29 .
RTR      RTR '4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)S' non-polymer        49  30 .
RTY      RTY '4-{4-[(2S,3R)-2-amino-4-bromo-3-hydr' non-polymer        39  20 .
RU6      RU6 '.                                   ' non-polymer       150  69 .
RU7      RU7 'PARA-CYMENE RUTHENIUM CHLORIDE      ' non-polymer        27  13 .
RU8      RU8 '"bis(2,2'-bipyridine-kappa~2~N~1~,N~' non-polymer        70  44 .
RUA      RUA '(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-B' non-polymer        95  39 .
RUB      RUB 'RIBULOSE-1,5-DIPHOSPHATE            ' non-polymer        26  18 .
RUC      RUC '(eta6-benzene)ruthenium             ' non-polymer        13   7 .
RU       RU  'RUTHENIUM ION                       ' non-polymer         1   1 .
RUF      RUF '7-(2-chlorobenzyl)-1,3-dimethyl-8-pi' non-polymer        48  27 .
RUG      RUG '1-beta-D-glucopyranosyl-4-(hydroxyme' non-polymer        33  18 .
RUM      RUM '2-({2-[(3R)-3-aminopiperidin-1-yl]-5' non-polymer        42  24 .
RUN      RUN '2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLO' non-polymer        93  47 .
RUP      RUP '(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3' non-polymer        73  36 .
RUR      RUR '"[3,3'-(7,12-diethyl-3,8,13,17-tetra' non-polymer        77  43 .
RUT      RUT 'RUTIN                               ' non-polymer        73  43 .
RVP      RVP 'RIBAVIRIN MONOPHOSPHATE             ' non-polymer        32  21 .
RW1      RW1 '4-phenylpyrimidine                  ' non-polymer        20  12 .
RW3      RW3 'N-[6-(4-amino-1-{[2-(4-methylpiperaz' non-polymer        69  41 .
RW4      RW4 '3-(2-amino-1,3-benzothiazol-6-yl)-1-' non-polymer        64  38 .
RWF      RWF 'R-WARFARIN                          ' non-polymer        39  23 .
RWJ      RWJ '"CYCLOPENTANECARBOXYLIC ACID [1-(BEN' non-polymer        52  27 .
RX3      RX3 'N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYL' non-polymer        79  44 .
RX4      RX4 '"N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-' non-polymer        64  34 .
RXA      RXA 'isoquinoline-1,3,4(2H)-trione       ' non-polymer        18  13 .
RXB      RXB '"(1S)-2-oxo-1-phenyl-2-[(1,3,4-triox' non-polymer        41  27 .
RXC      RXC '"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1' non-polymer        41  28 .
RXD      RXD '"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,' non-polymer        49  31 .
RXP      RXP '"1-BENZYLOXYCARBONYLAMINO-2-PHENYL-E' non-polymer        93  50 .
RXV      RXV '6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5' non-polymer        60  33 .
RYN      RYN 'N-ethyl-N'-(1-methylethyl)-6-(methyl' non-polymer        32  15 .
RYU      RYU '"(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIP' non-polymer        54  31 .
S01      S01 '1-[4-(8-CHLORO-3-METHYL-5,6-DIHYDRO-' non-polymer        58  32 .
S02      S02 '"PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2' non-polymer        55  26 .
S03      S03 '1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H' non-polymer        59  32 .
S06      S06 '(3S,5R,7R,8S,9S,10R)-7-(hydroxymethy' non-polymer        46  25 .
S0H      S0H '(S)-2-HYDROXYPROPYLPHOSPHONIC ACID  ' non-polymer        17   8 .
S10      S10 'DIETHYL PROPANE-1,3-DIYLBISCARBAMATE' non-polymer        33  15 .
S11      S11 '"5-(3,5-DICHLOROPHENYL)THIO-4-ISOPRO' non-polymer        49  29 .
S13      S13 '(3S,5R,7R,8S,9S,10R)-7-(hydroxymethy' non-polymer        43  22 .
S14      S14 '6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAM' non-polymer        56  31 .
S17      S17 'methyl 4-bromo-N-[8-(hydroxyamino)-8' non-polymer        51  26 .
S1A      S1A 'SORAPHEN A                          ' non-polymer        81  37 .
S1H      S1H '1-HEXADECANOSULFONYL-O-L-SERINE     ' peptide            64  26 .
S1P      S1P '(2S,3R,4E)-2-amino-3-hydroxyoctadec-' non-polymer        61  25 .
S1S      S1S '"2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-' non-polymer        98  55 .
S1T      S1T '"2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        49  29 .
S22      S22 '1-(4-(4-(2-(isopropylsulfonyl)phenyl' non-polymer        71  38 .
S23      S23 'N-{(2S)-3-[(1R)-1-aminoethyl](hydrox' non-polymer        55  29 .
S24      S24 'S-(2,4-dihydroxyphenyl) hydrogen thi' non-polymer        18  12 .
S27      S27 'N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-' non-polymer        53  26 .
S2A      S2A '.                                   ' non-polymer        73  40 .
S2C      S2C 'S-2-(BORONOETHYL)-L-CYSTEINE        ' peptide            25  13 .
S2D      S2D 'N-BENZOYL-D-ALANINE                 ' non-polymer        24  14 .
S2M      S2M '2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMID' DNA                45  26 .
S2N      S2N '"S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hy' non-polymer        83  37 .
S2P      S2P '(2S)-2-amino-3-(4-hydroxy-1,2,5-thia' peptide            18  12 .
S30      S30 '2-{[4-amino-3-(3-hydroxyprop-1-yn-1-' non-polymer        55  34 .
S3B      S3B '3-methyl-2-(propanoyloxy)benzoic aci' non-polymer        26  15 .
S3H      S3H 'trisulfane                          ' non-polymer         5   3 .
S3P      S3P 'SHIKIMATE-3-PHOSPHATE               ' non-polymer        24  16 .
S44      S44 '"(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7' non-polymer        77  37 .
S45      S45 '(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxa' non-polymer        32  18 .
S48      S48 '"METHYL N-{(3S)-1-[(1-METHYL-1H-IMID' non-polymer        68  38 .
S4A      S4A '.                                   ' non-polymer        34  22 .
S4C      S4C '4'-THIO-4'-DEOXY-CYTOSINE-5'-MONOPHO' RNA                33  21 .
S4G      S4G '.                                   ' non-polymer        35  23 .
S4H      S4H 'trithiosulfurous acid               ' non-polymer         6   4 .
S4M      S4M '5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMB' non-polymer        48  24 .
S51      S51 '2-benzyl-1-phenyl-3-(piperazin-1-ylc' non-polymer        55  30 .
S52      S52 '2-phenoxy-1-phenyl-3-(piperazin-1-yl' non-polymer        53  30 .
S55      S55 '"METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D' non-polymer        74  38 .
S57      S57 '1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEX' non-polymer        42  21 .
S58      S58 '1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHY' non-polymer        37  26 .
S5H      S5H '5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCI' non-polymer        67  30 .
S5P      S5P '6-sulfanyluridine-5'-phosphate      ' non-polymer        33  22 .
S5S      S5S '2-sulfanyl-2lambda~4~-tetrasulfane  ' non-polymer         9   5 .
S60      S60 '6-amino-2-methyl-1,7-dihydro-8H-imid' non-polymer        25  16 .
S6G      S6G '6-THIO-2'-DEOXYGUANOSINE-5'-MONOPHOS' DNA                35  23 .
S6P      S6P 'D-SORBITOL-6-PHOSPHATE              ' non-polymer        29  16 .
S70      S70 '3-HYDROXY-2-OXO-4-PHOPHONOXY- BUTYL)' non-polymer        23  15 .
S79      S79 '6-amino-2-[(1-naphthylmethyl)amino]-' non-polymer        43  27 .
S7B      S7B '2-[(cyclopropylcarbonyl)oxy]-3-methy' non-polymer        27  16 .
S80      S80 'N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-IS' non-polymer        66  29 .
S91      S91 '"[4-({5-(AMINOCARBONYL)-4-[(3-METHYL' non-polymer        46  28 .
S98      S98 '6-amino-2-[(thiophen-2-ylmethyl)amin' non-polymer        34  22 .
S99      S99 '7-phenyl-1-(4-pyridin-2-yl-1,3-oxazo' non-polymer        50  26 .
S9L      S9L '2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL D' non-polymer        27  14 .
SA1      SA1 '(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-' non-polymer        41  20 .
SA2      SA2 '(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(' non-polymer        41  24 .
SA3      SA3 '2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRAN' non-polymer        59  38 .
SA6      SA6 '(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en' non-polymer        43  20 .
SA8      SA8 'S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE' non-polymer        49  27 .
SAB      SAB '4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BEN' non-polymer        35  18 .
SAC      SAC 'N-ACETYL-SERINE                     ' peptide            18  10 .
SAD      SAD 'BETA-METHYLENE-SELENAZOLE-4-CARBOXYA' non-polymer        70  43 .
SAE      SAE 'SELENAZOLE-4-CARBOXYAMIDE-ADENINE DI' non-polymer        66  43 .
SAF      SAF '3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENO' non-polymer        27  12 .
SAG      SAG '(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYL' non-polymer        39  22 .
SAH      SAH 'S-ADENOSYL-L-HOMOCYSTEINE           ' peptide            45  26 .
SAI      SAI 'S-ADENOSYL-L-HOMOSELENOCYSTEINE     ' non-polymer        45  26 .
SAK      SAK '(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7' non-polymer        35  21 .
SAL      SAL '2-HYDROXYBENZOIC ACID               ' non-polymer        15  10 .
SAM      SAM 'S-ADENOSYLMETHIONINE                ' non-polymer        50  27 .
SAN      SAN 'SULFANILAMIDE                       ' non-polymer        19  11 .
SAP      SAP '.                                   ' non-polymer        45  31 .
SAQ      SAQ '2-[(thiophen-2-ylmethyl)amino]-1,7-d' non-polymer        32  21 .
SAR      SAR 'SARCOSINE                           ' M-peptide          12   6 .
SAS      SAS '2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)S' non-polymer        41  28 .
SAT      SAT 'sulfoacetic acid                    ' non-polymer        11   8 .
SAV      SAV 'N~4~-(3-methyl-1H-indazol-6-yl)-N~2~' non-polymer        52  30 .
SAW      SAW '(1R,3S,5R,7S)-N-[8-({[5-(dimethylami' non-polymer        84  39 .
SAZ      SAZ '(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-' non-polymer        41  15 .
SB1      SB1 '"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-' non-polymer        70  31 .
SB2      SB2 '4-[5-(4-FLUORO-PHENYL)-2-(4-METHANES' non-polymer        43  27 .
SB3      SB3 '"1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETH' non-polymer        68  33 .
SB4      SB4 '4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)' non-polymer        44  25 .
SB5      SB5 '4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL' non-polymer        39  23 .
SB6      SB6 '4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLME' non-polymer        38  22 .
SB7      SB7 '[HYDROXY(3-PHENYLPROPYL)AMINO]METHAN' non-polymer        28  13 .
SB8      SB8 '2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FO' non-polymer        36  21 .
SB9      SB9 'HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROP' non-polymer        28  14 .
SBA      SBA 'CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCI' non-polymer        65  29 .
SBB      SBB 'N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAM' non-polymer        47  26 .
SBC      SBC '1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHY' non-polymer        37  25 .
SB       SB  'ANTIMONY (III) ION                  ' non-polymer         1   1 .
SBD      SBD 'D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ' peptide            47  26 .
SBE      SBE '1,3,2-DIOXABOROLAN-2-OL             ' non-polymer        11   6 .
SBF      SBF 'N-[8-({[5-(dimethylamino)naphthalen-' non-polymer        86  39 .
SBG      SBG 'O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-' non-polymer        20  11 .
SBH      SBH '(S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL ' non-polymer        26  16 .
SBI      SBI 'SORBINIL                            ' non-polymer        26  17 .
SBL      SBL 'L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ' peptide            47  26 .
SBN      SBN '2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFON' non-polymer        34  20 .
SBO      SBO 'TRIHYDROXYANTIMONITE(III)           ' non-polymer         7   4 .
SBP      SBP '[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPY' non-polymer        28  13 .
SBR      SBR '(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)' non-polymer        47  26 .
SBS      SBS '(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)' non-polymer        47  26 .
SBT      SBT '2-BUTANOL                           ' non-polymer        15   5 .
SBX      SBX '"1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3' non-polymer        74  33 .
SBY      SBY '3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-' non-polymer        59  22 .
SBZ      SBZ '[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHY' non-polymer        30  16 .
SC0      SC0 '(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DI' non-polymer        59  25 .
SC1      SC1 '"[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-' non-polymer        37  25 .
SC2      SC2 'N-ACETYL-L-CYSTEINE                 ' non-polymer        18  10 .
SC3      SC3 '7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-' non-polymer        49  26 .
SC4      SC4 '1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHY' non-polymer        44  27 .
SC5      SC5 '2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMIN' non-polymer        50  24 .
SC6      SC6 'N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-' non-polymer        83  44 .
SC7      SC7 '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        83  40 .
SC8      SC8 '5-(2,3-dichlorophenyl)-N-(pyridin-4-' non-polymer        38  25 .
SC9      SC9 '6-(2-fluorophenyl)-N-(pyridin-3-ylme' non-polymer        38  24 .
SCA      SCA 'SUCCINYL-COENZYME A                 ' non-polymer        90  55 .
SCB      SCB '"2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHO' non-polymer        51  33 .
SCC      SCC 'THIOETHYL GROUP                     ' non-polymer         9   3 .
SC       SC  '2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE ' non-polymer        34  20 .
SCD      SCD 'SUCCINYL(CARBADETHIA)-COENZYME A    ' non-polymer        92  55 .
SCE      SCE '3-methyl-N-(pyridin-4-ylmethyl)imida' non-polymer        31  18 .
SCF      SCF '5-(2-fluorophenyl)-N-(pyridin-4-ylme' non-polymer        38  24 .
SCG      SCG '"METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPY' non-polymer        51  27 .
SCH      SCH 'S-METHYL-THIO-CYSTEINE              ' peptide            17   9 .
SCI      SCI 'L-THIOCITRULLINE                    ' non-polymer        24  12 .
SCJ      SCJ '3-bromo-5-phenyl-N-(pyridin-3-ylmeth' non-polymer        38  24 .
SCK      SCK '2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(' non-polymer        50  20 .
SCL      SCL 'ACETIC ACID SALICYLOYL-AMINO-ESTER  ' non-polymer        23  14 .
SCM      SCM 'SPECTINOMYCIN                       ' non-polymer        47  23 .
SCN      SCN 'THIOCYANATE ION                     ' non-polymer         3   3 .
SCO      SCO 'SUCCINAMIDE-COA                     ' non-polymer        91  55 .
SCQ      SCQ '3-bromo-5-phenyl-N-(pyrimidin-5-ylme' non-polymer        38  24 .
SCR      SCR 'SUCROSE OCTASULFATE                 ' pyranose           77  55 .
SCS      SCS '3-(ethyldisulfanyl)-L-alanine       ' peptide            20  10 .
SCT      SCT '(SOUTH)-METHANOCARBA-THYMIDINE      ' non-polymer        34  18 .
SCU      SCU 'N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OX' non-polymer        31  13 .
SCV      SCV 'N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYL' non-polymer        45  25 .
SCW      SCW '3-bromo-6-phenyl-N-(pyrimidin-5-ylme' non-polymer        38  24 .
SCX      SCX 'N-((2-aminopyrimidin-5-yl)methyl)-5-' non-polymer        45  28 .
SCY      SCY 'S-ACETYL-CYSTEINE                   ' peptide            18  10 .
SCZ      SCZ '3-cyclopropyl-5-phenyl-N-(pyridin-3-' non-polymer        45  26 .
SD1      SD1 '2-[(3,4,5-trimethoxyphenyl)amino]-4-' non-polymer        66  35 .
SD2      SD2 'N-(SULFANYLACETYL)TYROSYLPROLYLMETHI' non-polymer        62  32 .
SD3      SD3 'N-hydroxy-D-asparagine              ' non-polymer        17  10 .
SD8      SD8 '"2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PI' non-polymer        46  26 .
SDA      SDA '4-AMINO-3,5-DICHLOROBENZENESULFONAMI' non-polymer        19  13 .
SDB      SDB '"(4S)-2-[(1S)-1-amino-2-hydroxyethyl' non-polymer        25  13 .
SDC      SDC 'S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEIN' non-polymer        24  13 .
SDF      SDF '[(R)-(2,4-dichlorophenyl)(sulfanyl)m' non-polymer        21  14 .
SDG      SDG '"2-amino-9-(2-deoxy-5-O-phosphono-be' non-polymer        35  23 .
SDK      SDK '1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]' non-polymer        84  42 .
SDN      SDN '"[(3S)-9-hydroxy-1-methyl-10-oxo-4,1' non-polymer        34  21 .
SDP      SDP '2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-P' peptide            30  15 .
SDS      SDS 'DODECYL SULFATE                     ' non-polymer        43  17 .
SDT      SDT '3,4-dihydroxy-9,10-secoandrosta-1(10' non-polymer        47  23 .
SDX      SDX 's-citryldethia Coenzyme A           ' non-polymer       100  60 .
SDZ      SDZ '1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY' non-polymer        62  29 .
SE0      SE0 '"(2R)-2-[(1R)-2-[(2S)-2-amino-2-carb' non-polymer        50  29 .
SE4      SE4 'SELENATE ION                        ' non-polymer         5   5 .
SE8      SE8 '"5-[(2-{[(3S)-5-{[(2S)-2-amino-2-car' non-polymer        52  31 .
SEB      SEB 'O-BENZYLSULFONYL-SERINE             ' peptide            29  17 .
SEC      SEC '2-AMINO-3-SELENINO-PROPIONIC ACID   ' peptide            15   9 .
SE       SE  'SELENIUM ATOM                       ' non-polymer         1   1 .
SEE      SEE 'trihydroxy(L-serinato-kappaO~3~)bora' peptide            19  11 .
SEH      SEH 'S-BENZYL PHENYLACETOTHIOHYDROXIMATE-' non-polymer        30  17 .
SEI      SEI '"1-{3-METHYL-2-[4-(MORPHOLINE-4-CARB' non-polymer        81  44 .
SEK      SEK 'SELENOCYANATE ION                   ' non-polymer         3   3 .
SEL      SEL '2-AMINO-1,3-PROPANEDIOL             ' non-polymer        15   6 .
SEM      SEM '.                                   ' .                  29  14 .
SEN      SEN 'O-[N,N-dimethylphosphoramidate]-L-se' peptide            25  13 .
SEP      SEP 'PHOSPHOSERINE                       ' peptide            16  11 .
SER      SER 'SERINE                              ' peptide            11   6 .
SES      SES '4-butyl-5-propyl-1,3-selenazol-2-ami' non-polymer        31  13 .
SET      SET 'AMINOSERINE                         ' non-polymer        15   7 .
SF1      SF1 '1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-' non-polymer        42  27 .
SF2      SF2 '5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHEN' non-polymer        46  29 .
SF3      SF3 'FE4-S3 CLUSTER                      ' non-polymer         9   7 .
SF4      SF4 'IRON/SULFUR CLUSTER                 ' non-polymer        12   8 .
SF8      SF8 '"(2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)' non-polymer        52  33 .
SFA      SFA 'SANGLIFEHRIN A                      ' non-polymer       169  78 .
SFC      SFC '(S)-IBUPROFENOYL-COENZYME A         ' non-polymer       111  62 .
SFD      SFD '.                                   ' non-polymer        90  57 .
SFG      SFG 'ADENOSYL-ORNITHINE                  ' non-polymer        49  27 .
SFM      SFM '.                                   ' non-polymer       109  53 .
SFO      SFO 'SULFONIC ACID                       ' non-polymer         7   4 .
SFP      SFP '5,10,15,20-TETRAKIS(4-SULPFONATOPHEN' non-polymer        98  64 .
SFR      SFR '"(2R)-2-[(1S,2R)-1-carboxy-2-hydroxy' non-polymer        35  20 .
SFT      SFT 'SULFOGALACTOCERAMIDE                ' non-polymer       155  62 .
SFU      SFU 'METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALA' non-polymer        26  12 .
SFX      SFX '(3S)-N-methyl-3-phenyl-3-[4-(trifluo' non-polymer        40  22 .
SG1      SG1 '3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BE' non-polymer        30  19 .
SG2      SG2 '1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]I' non-polymer        23  15 .
SG3      SG3 '[(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4' non-polymer        25  13 .
SGA      SGA 'O3-SULFONYLGALACTOSE                ' pyranose           28  16 .
SGB      SGB 'O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHO' peptide            29  14 .
SGC      SGC '4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE ' pyranose           24  12 .
SGI      SGI '3-(4-hydroxyphenyl)propanamide      ' non-polymer        23  12 .
SGL      SGL '1-HYDROXY-1-THIO-GLYCEROL           ' non-polymer        15   7 .
SGM      SGM 'MONOTHIOGLYCEROL                    ' non-polymer        14   6 .
SGN      SGN 'N,O6-DISULFO-GLUCOSAMINE            ' pyranose           33  20 .
SGP      SGP 'GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOAT' non-polymer        35  23 .
SGR      SGR 'O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-S' non-polymer        22  12 .
SGS      SGS '"(E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4' pyranose           49  27 .
SGV      SGV 'SANGIVAMYCIN                        ' non-polymer        37  22 .
SGX      SGX 'O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-S' non-polymer        22  12 .
SH1      SH1 'N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-' non-polymer        67  33 .
SH4      SH4 '(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BE' non-polymer        42  23 .
SHA      SHA 'SALICYLHYDROXAMIC ACID              ' non-polymer        18  11 .
SHB      SHB 'methyl beta-D-galactopyranuronate   ' pyranose           26  14 .
SHC      SHC 'S-HEXYLCYSTEINE                     ' peptide            31  13 .
SHD      SHD 'alpha-D-altropyranose               ' non-polymer        24  12 .
SHF      SHF 'LAEVULINIC ACID                     ' non-polymer        15   8 .
SHG      SHG '2-deoxy-2-fluoro-beta-D-glucopyranos' non-polymer        23  12 .
SHH      SHH 'OCTANEDIOIC ACID HYDROXYAMIDE PHENYL' non-polymer        39  19 .
SHI      SHI '(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-' non-polymer        19  12 .
SHM      SHM 'HOMOBIOTIN                          ' non-polymer        34  17 .
SHO      SHO '5-HYDROXYLAEVULINIC ACID            ' non-polymer        17   8 .
SHP      SHP '(4-HYDROXYMALTOSEPHENYL)GLYCINE     ' peptide            62  34 .
SHR      SHR 'N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ' non-polymer        36  19 .
SHT      SHT 'O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL' non-polymer        49  28 .
SHU      SHU '4,6-DIOXOHEPTANOIC ACID             ' non-polymer        20  11 .
SHV      SHV 'HEPTANOIC ACID                      ' non-polymer        22   9 .
SHW      SHW '"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimeth' non-polymer        67  32 .
SHY      SHY '4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZOD' non-polymer        57  33 .
SI1      SI1 'N-(BUTYLSULFONYL)-D-SERYL-N-{4-[AMIN' non-polymer        58  29 .
SIA      SIA 'O-SIALIC ACID                       ' non-polymer        39  21 .
SIB      SIB '"(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4' peptide            44  26 .
SIC      SIC '(2R)-2-[(3S)-3-amino-2,5-dioxopyrrol' non-polymer        23  14 .
SID      SID '"methyl 9-S-acetyl-5-(acetylamino)-3' non-polymer        47  25 .
SIE      SIE 'SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYL' non-polymer        68  35 .
SIF      SIF '3-TRIMETHYLSILYLSUCCINIC ACID       ' non-polymer        24  12 .
SIG      SIG 'STIGMATELLIN                        ' non-polymer        77  35 .
SIH      SIH 'PROGESTERONE-11-ALPHA-OL-HEMISUCCINA' non-polymer        64  31 .
SII      SII 'N-(4-{[4-(cyclohexylamino)-1-(3-fluo' non-polymer        70  36 .
SIL      SIL '[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL' non-polymer        41  18 .
SIM      SIM 'Simvastatin acid                    ' non-polymer        70  31 .
SIN      SIN 'SUCCINIC ACID                       ' non-polymer        12   8 .
SIO      SIO '"methyl 4,9-di-O-acetyl-5-(acetylami' non-polymer        52  28 .
SJ1      SJ1 'N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S' non-polymer        61  29 .
SK1      SK1 'N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMI' non-polymer        59  32 .
SK2      SK2 '"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3' non-polymer        50  29 .
SK3      SK3 '(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCL' non-polymer        34  17 .
SK4      SK4 '4-[(3-methoxyphenyl)amino]-6-(methyl' non-polymer        43  26 .
SKA      SKA '7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQU' non-polymer        21  12 .
SKD      SKD '"2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHY' non-polymer        36  20 .
SKF      SKF '1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SU' non-polymer        26  14 .
SKM      SKM '(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-' non-polymer        21  12 .
SKP      SKP '"5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL' non-polymer        36  26 .
SKY      SKY '1-beta-D-glucopyranosyl-4-naphthalen' non-polymer        45  26 .
SL1      SL1 'N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO' non-polymer        76  43 .
SL2      SL2 '.                                   ' non-polymer        63  38 .
SL3      SL3 '.                                   ' non-polymer        63  38 .
SLA      SLA '(3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-' non-polymer        32  16 .
SLB      SLB '5-N-ACETYL-BETA-D-NEURAMINIC ACID   ' non-polymer        39  21 .
SLD      SLD '(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylam' non-polymer        65  37 .
SLE      SLE '2-(THIOMETHYLENE)-4-METHYLPENTANOIC ' non-polymer        23  10 .
SLF      SLF 'SULFATE-3-D-GALACTOSYL-BETA-1-1-N-ST' non-polymer       136  55 .
SLN      SLN '1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-' non-polymer        64  38 .
SLP      SLP '3-selanylpropanoic acid             ' non-polymer        11   6 .
SLR      SLR '(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-' non-polymer        32  16 .
SLT      SLT '5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULO' non-polymer        81  43 .
SLU      SLU '.                                   ' non-polymer        58  40 .
SLX      SLX '(13aS)-3,10-dimethoxy-5,8,13,13a-tet' non-polymer        45  24 .
SLZ      SLZ 'L-THIALYSINE                        ' peptide            21  10 .
SM1      SM1 'N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AM' non-polymer        61  33 .
SM2      SM2 '(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-C' non-polymer        35  22 .
SM3      SM3 '(1R)-1-(2-THIENYLACETYLAMINO)-1-PHEN' non-polymer        33  19 .
SM4      SM4 '"(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO' non-polymer        39  24 .
SM5      SM5 '"(1E)-5-(1-piperidin-4-yl-3-pyridin-' non-polymer        51  28 .
SM8      SM8 'SIMOCYCLINONE D8                    ' non-polymer       108  66 .
SMA      SMA 'STIGMATELLIN A                      ' non-polymer        79  37 .
SMB      SMB '2-METHYLBUTANOIC ACID               ' non-polymer        16   7 .
SMC      SMC 'S-METHYLCYSTEINE                    ' peptide            16   8 .
SM       SM  'SAMARIUM (III) ION                  ' non-polymer         1   1 .
SMD      SMD 'METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-' non-polymer        48  24 .
SME      SME 'METHIONINE SULFOXIDE                ' peptide            20  10 .
SMF      SMF '4-SULFOMETHYL-L-PHENYLALANINE       ' peptide            29  17 .
SMG      SMG 'N-SUCCINYL METHIONINE               ' non-polymer        29  16 .
SMI      SMI 'SPECTINOMYCIN                       ' non-polymer        50  24 .
SMK      SMK '(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutan' non-polymer        76  37 .
SML      SML 'PHENYL METHYL SULFONE               ' non-polymer        18  10 .
SMM      SMM 'S-ADENOSYLMETHIONINE METHYL ESTER   ' non-polymer        54  28 .
SMN      SMN '(S)-MANDELIC ACID                   ' non-polymer        18  11 .
SMO      SMO 'DIOXOSULFIDOMOLYBDENUM(VI) ION      ' non-polymer         4   4 .
SMP      SMP '2'-DEOXY-ADENOSINE-5'-SP-MONOMETHYLP' non-polymer        38  22 .
SMS      SMS '"SULFAMIC ACID 2,3-O-(1-METHYLETHYLI' non-polymer        37  22 .
SMT      SMT '2'-[(METHYLTHIO)ETHYLOXY]-THYMIDINE-' RNA                45  26 .
SMY      SMY '(2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-' non-polymer        56  30 .
SMZ      SMZ 'N~5~-[(E)-imino(methylsulfanyl)methy' non-polymer        27  13 .
SN0      SN0 'N-(3-CARBOXYPROPANOYL)-L-NORVALINE  ' non-polymer        28  15 .
SN1      SN1 '2,4-DIHYDROXY-TRANS CINNAMIC ACID   ' non-polymer        20  13 .
SN2      SN2 '5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DI' non-polymer        34  22 .
SN3      SN3 '.                                   ' non-polymer        87  44 .
SN5      SN5 '2-deoxy-2-(ethanethioylamino)-beta-D' non-polymer        30  15 .
SN6      SN6 '1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLI' non-polymer        62  35 .
SN7      SN7 '"4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINO' non-polymer        66  37 .
SN8      SN8 '1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDI' non-polymer        83  36 .
SN9      SN9 '8-METHOXY-1-METHYL-4-(4-(4-(1-METHYL' non-polymer        84  37 .
SNA      SNA '"N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETH' non-polymer        97  57 .
SNB      SNB '1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY' non-polymer        33  20 .
SNC      SNC 'S-NITROSO-CYSTEINE                  ' peptide            14   9 .
SND      SND 'THIONICOTINAMIDE-ADENINE-DINUCLEOTID' non-polymer        70  44 .
SNG      SNG 'METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SEL' non-polymer        33  16 .
SNH      SNH '.                                   ' non-polymer        44  28 .
SNI      SNI '9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TET' non-polymer        31  19 .
SNL      SNL 'SPIRONOLACTONE                      ' non-polymer        61  29 .
SNN      SNN 'L-3-AMINOSUCCINIMIDE                ' non-polymer        14   8 .
SNO      SNO '(S)-PARA-NITROSTYRENE OXIDE         ' non-polymer        19  12 .
SNP      SNP '1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)' non-polymer        40  19 .
SNR      SNR 'NORBIOTIN                           ' non-polymer        28  15 .
SNS      SNS '3,6-bis(3-(3'-(S)-fluoropyrrolindino' non-polymer        67  36 .
SNX      SNX '2-[(2-methoxyethyl)amino]-4-(4-oxo-1' non-polymer        51  28 .
SO1      SO1 '.                                   ' non-polymer        76  35 .
SO2      SO2 'SULFUR DIOXIDE                      ' non-polymer         3   3 .
SO3      SO3 'SULFITE ION                         ' non-polymer         4   4 .
SO4      SO4 'SULFATE ION                         ' non-polymer         5   5 .
SOA      SOA 'ISATOIC ANHYDRIDE                   ' non-polymer        18   9 .
SOC      SOC 'DIOXYSELENOCYSTEINE                 ' peptide            15   9 .
SOD      SOD '.                                   ' non-polymer        74  36 .
SOG      SOG '2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETR' non-polymer        48  20 .
SOH      SOH 'HYDROGEN SULFATE                    ' non-polymer         6   5 .
SON      SON 'ADENOSINE PHOSPHONOACETIC ACID      ' non-polymer        42  26 .
SOO      SOO '"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimeth' non-polymer        64  31 .
SOP      SOP '.                                   ' non-polymer        88  52 .
SOR      SOR 'D-SORBITOL                          ' non-polymer        26  12 .
SOS      SOS '"[(1R,2S,4R)-4-({2-AMINO-5-[BENZYL(F' DNA                53  31 .
SOT      SOT 'morpholine-4-sulfonic acid          ' non-polymer        19  10 .
SOX      SOX 'N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-' non-polymer        43  24 .
SOY      SOY 'OXACILLIN-ACYLATED SERINE           ' peptide            59  35 .
SP0      SP0 '3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-' non-polymer        41  28 .
SP1      SP1 '6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETR' non-polymer        34  22 .
SP2      SP2 '3,4-DIHYDROSPHEROIDENE              ' non-polymer       104  42 .
SP3      SP3 'N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-' non-polymer        47  35 .
SP5      SP5 'N-[3-({4-[(3-aminopropyl)amino]butyl' non-polymer        45  17 .
SP6      SP6 '"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYD' non-polymer        44  28 .
SP7      SP7 'N-{(1S)-3-[(4-aminobutyl)amino]-1-me' non-polymer        37  14 .
SP8      SP8 'N-{(1S)-3-[(4-aminobutyl)amino]-1-me' non-polymer        44  19 .
SP9      SP9 'N-{(1R)-3-[(4-aminobutyl)amino]-1-me' non-polymer        44  19 .
SPA      SPA 'THIOPHENEACETIC ACID                ' non-polymer        14   9 .
SPB      SPB '4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC' non-polymer        41  23 .
SPC      SPC '"N-HYDROXY 1N(4-METHOXYPHENYL)SULFON' non-polymer        42  23 .
SPD      SPD 'SPERMIDINE                          ' non-polymer        29  10 .
SPE      SPE 'THERMINE                            ' non-polymer        37  13 .
SPF      SPF 'SINAPOYL COENZYME A                 ' non-polymer       103  63 .
SPH      SPH 'SPHINGOSINE                         ' non-polymer        58  21 .
SPI      SPI 'N-HYDROXY-1-(4-METHOXYPHENYL)SULFONY' non-polymer        54  31 .
SPJ      SPJ '(3R,3'R)-N~1~,N~1~'-butane-1,4-diyld' non-polymer        46  16 .
SPK      SPK 'SPERMINE (FULLY PROTONATED FORM)    ' non-polymer        44  14 .
SPL      SPL 'OCTANOIC ACID (2-HYDROXY-1-HYDROXYME' non-polymer        81  30 .
SPM      SPM 'SPERMINE                            ' non-polymer        40  14 .
SPN      SPN 'SPEROIDENONE                        ' non-polymer       113  43 .
SPO      SPO 'SPHEROIDENE                         ' non-polymer       102  42 .
SPP      SPP '(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-' non-polymer        60  32 .
SPQ      SPQ '"(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLU' non-polymer        36  27 .
SPR      SPR 'SPIRAMYCIN I                        ' non-polymer       133  59 .
SPS      SPS 'SPARSOMYCIN                         ' non-polymer        42  23 .
SPT      SPT '.                                   ' non-polymer        36  21 .
SPU      SPU '2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydro' non-polymer        80  31 .
SPV      SPV 'SULFOPYRUVATE                       ' non-polymer        13  10 .
SPW      SPW 'N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-' non-polymer        64  24 .
SPX      SPX 'SPHINXOLIDE B                       ' non-polymer       153  68 .
SPY      SPY 'pyridine-4-sulfonic acid            ' non-polymer        15  10 .
SPZ      SPZ '(3S,3'S)-N~1~,N~1~'-butane-1,4-diyld' non-polymer        46  16 .
SQA      SQA '2-AZASQUALENE                       ' non-polymer        81  30 .
SQ       SQ  '3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTA' non-polymer        23  11 .
SQD      SQD '1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-A' non-polymer       132  54 .
SQO      SQO '2-{[2-(4-Morpholinyl)ethyl]amino}-1,' non-polymer        41  23 .
SQU      SQU '2,10,23-TRIMETHYL-TETRACOSANE       ' non-polymer        83  27 .
SQX      SQX '13-DESMETHYL SPIROLIDE C            ' non-polymer       113  50 .
SR1      SR1 '5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANO' non-polymer        23  11 .
SR2      SR2 '(2E)-N-{4-[(3-bromophenyl)amino]quin' non-polymer        47  27 .
SRA      SRA '.                                   ' non-polymer        37  23 .
SRB      SRB 'L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORO' non-polymer        37  20 .
SR       SR  'STRONTIUM ION                       ' non-polymer         1   1 .
SRD      SRD 'D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORO' non-polymer        37  20 .
SRE      SRE '(1S,4S)-4-(3,4-dichlorophenyl)-N-met' non-polymer        37  20 .
SRG      SRG '"(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-di' non-polymer        73  35 .
SRI      SRI '(2Z)-3-HYDROXY-2-IMINOPROPANOIC ACID' non-polymer        11   7 .
SRL      SRL '"[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHE' non-polymer        75  33 .
SRM      SRM 'SIROHEME                            ' non-polymer        97  63 .
SRN      SRN 'SORANGICIN A                        ' non-polymer       123  58 .
SRO      SRO 'SEROTONIN                           ' non-polymer        25  13 .
SRP      SRP 'SERYL ADENYLATE                     ' non-polymer        47  29 .
SRS      SRS '4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO' non-polymer        72  33 .
SRT      SRT 'S,R MESO-TARTARIC ACID              ' non-polymer        14  10 .
SRY      SRY 'STREPTOMYCIN                        ' non-polymer        79  40 .
SS1      SS1 '1-PHENYLETHANOL                     ' non-polymer        19   9 .
SS2      SS2 '(1R)-1-PHENYLETHANOL                ' non-polymer        19   9 .
SS3      SS3 '(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL' non-polymer        49  27 .
SS4      SS4 '3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,' non-polymer        49  28 .
SS5      SS5 '(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]' non-polymer        69  35 .
SS6      SS6 '1-{3-[(6-aminoquinazolin-4-yl)amino]' non-polymer        68  38 .
SSA      SSA '5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSIN' non-polymer        48  29 .
SSB      SSB '3-BUTYLTHIOLANE 1-OXIDE             ' non-polymer        26  10 .
SSC      SSC '(2S,5S)-5-CARBOXYMETHYLPROLINE      ' non-polymer        21  12 .
SSD      SSD '"1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDR' non-polymer        39  20 .
SSE      SSE '"1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDR' non-polymer        39  20 .
SSG      SSG '1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYR' pyranose           24  12 .
SSH      SSH '3-DEOXY-D-ARABINO-HEXONIC ACID      ' non-polymer        23  12 .
SSL      SSL '"(3-{[2-(DIHYDROXYAMINO)-4-(2LAMBDA~' non-polymer        66  39 .
SSM      SSM '(2S)-2-(acetylamino)-N-methyl-4-[(S)' non-polymer        30  14 .
SSO      SSO '"1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDR' non-polymer        39  20 .
SSP      SSP 'DITHIOBIS-(PROPANE)                 ' non-polymer        22   8 .
SSR      SSR '2-(3-fluoro-2-methylbenzyl)-4-methyl' non-polymer        62  34 .
SSS      SSS '"N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D' non-polymer        45  30 .
SSU      SSU 'URIDINE-5'-PHOSPHOROTHIOATE         ' non-polymer        34  21 .
SSV      SSV '(3E,5E,7E,9E,11E,13E)-pentadeca-3,5,' non-polymer        34  16 .
ST1      ST1 '4-(ACETYLAMINO)-3-HYDROXY-5-NITROBEN' non-polymer        24  17 .
ST2      ST2 '4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBEN' non-polymer        24  15 .
ST3      ST3 '4-(ACETYLAMINO)-3-AMINO BENZOIC ACID' non-polymer        23  14 .
ST4      ST4 '4-(ACETYLAMINO)-3-GUANIDINOBENZOIC A' non-polymer        30  17 .
ST5      ST5 '4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AM' non-polymer        29  18 .
ST6      ST6 '4-(ACETYLAMINO)-3-[(AMINOACETYL)AMIN' non-polymer        31  18 .
ST8      ST8 '4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-' non-polymer        49  27 .
ST9      ST9 'STEAROYL-COENZYME A                 ' non-polymer       135  67 .
STA      STA 'STATINE                             ' non-polymer        28  12 .
STB      STB '4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUT' non-polymer        39  20 .
STC      STC '3-[(4-CHLOROANILINO)SULFONYL]THIOPHE' non-polymer        26  19 .
STD      STD 'STREPTOLYDIGIN                      ' non-polymer        87  43 .
STE      STE 'STEARIC ACID                        ' non-polymer        55  20 .
STF      STF '(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHY' non-polymer        26  18 .
STG      STG 'ESTRIOL 3-(B-D-GLUCURONIDE)         ' non-polymer        64  33 .
STH      STH '2-AMINO-4H-1,3-BENZOXATHIIN-4-OL    ' non-polymer        21  12 .
STI      STI '4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-' non-polymer        68  37 .
STJ      STJ '3-(6-{[4-(trifluoromethoxy)phenyl]am' non-polymer        40  27 .
STL      STL 'RESVERATROL                         ' non-polymer        29  17 .
STN      STN '2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-M' non-polymer        27  13 .
STP      STP '.                                   ' non-polymer        43  30 .
STR      STR 'PROGESTERONE                        ' non-polymer        53  23 .
STS      STS '2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H' non-polymer        35  19 .
STT      STT '"2-(5-methyl-4-oxo-2-thioxo-2,4-dihy' non-polymer        23  14 .
STU      STU 'STAUROSPORINE                       ' non-polymer        61  35 .
STX      STX '1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL' non-polymer        29  14 .
STZ      STZ 'STREPTOZOTOCIN                      ' non-polymer        33  18 .
SU1      SU1 '3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRRO' non-polymer        37  22 .
SU2      SU2 '3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYL' non-polymer        46  25 .
SU9      SU9 '(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5' non-polymer        29  18 .
SUA      SUA '(4-SULFAMOYL-PHENYL)-THIOCARBAMIC AC' non-polymer        35  21 .
SUB      SUB '"3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)' non-polymer        60  32 .
SUC      SUC 'SUCROSE                             ' pyranose           45  23 .
SUD      SUD '4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYT' non-polymer        59  37 .
SUF      SUF '[2-(DIMETHYL-LAMBDA~4~-SULFANYL)-1-H' non-polymer        28  14 .
SUG      SUG 'N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE' non-polymer        35  19 .
SUI      SUI '(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)AC' non-polymer        19  12 .
SUJ      SUJ '(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY' non-polymer        31  16 .
SUM      SUM '"2-[3,4-DIHYDROXY-2-HYDROXYMETHYL-5-' non-polymer        69  31 .
SUN      SUN 'O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPH' peptide            31  15 .
SUO      SUO 'N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHIN' non-polymer        30  16 .
SUP      SUP 'SUCROSE-6-PHOSHPATE                 ' pyranose           48  27 .
SUR      SUR '1-(BETA-D-RIBOFURANOSYL)-2-THIO-URAC' RNA                32  21 .
SUS      SUS '2-deoxy-3,6-di-O-sulfo-2-(sulfoamino' pyranose           37  24 .
SUW      SUW 'ME-A-9-N-(NAPHTHYL-2-CARBONYL)-AMINO' non-polymer        61  34 .
SUZ      SUZ '"[(1Z)-5-fluoro-1-({4-[(R)-hydroxy(m' non-polymer        43  25 .
SVA      SVA 'SERINE VANADATE                     ' peptide            18  12 .
SVC      SVC 'N-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(' non-polymer        70  30 .
SVR      SVR '.                                   ' non-polymer       126  86 .
SVV      SVV 'O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-S' non-polymer        19  11 .
SVW      SVW 'O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-S' non-polymer        19  11 .
SVX      SVX 'O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-S' non-polymer        26  13 .
SVY      SVY 'O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-' non-polymer        36  17 .
SVZ      SVZ 'O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPH' peptide            28  14 .
SWA      SWA '1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,' non-polymer        27  12 .
SWE      SWE 'alpha-D-fructofuranosyl alpha-D-gluc' non-polymer        45  23 .
SWF      SWF 'S-WARFARIN                          ' non-polymer        39  23 .
SWI      SWI 'SWINHOLIDE A                        ' non-polymer       230  98 .
SX1      SX1 '2-amino-5-bromobenzoic acid         ' non-polymer        16  11 .
SX2      SX2 '4-[(5-bromopyridin-2-yl)amino]-4-oxo' non-polymer        23  15 .
SX3      SX3 '4-bromo-2-{[(3R,5S)-3,5-dimethylpipe' non-polymer        37  18 .
SX4      SX4 '4-bromo-2-{[(2R)-2-(2-chlorobenzyl)p' non-polymer        41  23 .
SX5      SX5 '"4-[(4-bromo-2-{[(3R,5S)-3,5-dimethy' non-polymer        47  25 .
SX6      SX6 'N-(4-bromo-2-{[(3R,5S)-3,5-dimethylp' non-polymer        60  30 .
SX7      SX7 '2-amino-5-[3-(1-ethyl-1H-pyrazol-5-y' non-polymer        50  28 .
SX8      SX8 '6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2' non-polymer        39  26 .
SXA      SXA '"THIOACETIC ACID S-{2-[3-(2-HYDROXY-' non-polymer        48  25 .
SXC      SXC 'bromo(4-{3-[(R)-ethoxy(4-nitrophenox' non-polymer        61  32 .
SX       SX  'SULFUR OXIDE                        ' non-polymer         2   2 .
SXD      SXD 'N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl' non-polymer        59  30 .
SXE      SXE 'O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]P' peptide            34  16 .
SXH      SXH '"S-[2-({N-[(2S)-2-hydroxy-3,3-dimeth' non-polymer        60  29 .
SXK      SXK '.                                   ' non-polymer        28  19 .
SXM      SXM '"3-{[2-({N-[(2S)-2-hydroxy-3,3-dimet' non-polymer        50  28 .
SXN      SXN 'Salinixanthin                       ' non-polymer       162  70 .
SXO      SXO '"S-[2-({N-[(2S)-2-hydroxy-3,3-dimeth' non-polymer        66  31 .
SXV      SXV 'N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-' non-polymer        54  27 .
SXX      SXX 'SINAPINATE                          ' non-polymer        27  16 .
SY1      SY1 '2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4' non-polymer        48  27 .
SY2      SY2 'N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-m' non-polymer        75  35 .
SYB      SYB '"4-[4-(DIMETHYLAMINO)-N-METHYL-L-PHE' non-polymer       140  73 .
SYM      SYM '2S,4R-4-METHYLGLUTAMATE             ' non-polymer        20  11 .
SYO      SYO '"[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-' non-polymer        66  31 .
SYR      SYR 'SYRINGATE                           ' non-polymer        27  15 .
SYS      SYS '3-[(2-amino-2-oxoethyl)selanyl]-L-al' non-polymer        20  11 .
SZH      SZH '"(2S,6E)-8-{[(R)-hydroxy(phosphonoox' non-polymer        51  29 .
T03      T03 '3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,' non-polymer        22  14 .
T07      T07 '5-[(2,4-dichlorobenzyl)sulfanyl]-4H-' non-polymer        24  16 .
T10      T10 '"[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYL' non-polymer        62  34 .
T11      T11 '4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-Y' peptide            30  19 .
T12      T12 '1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZO' non-polymer        56  32 .
T13      T13 '2,3,4,5,6-pentafluoro-N-(3-fluoro-4-' non-polymer        31  24 .
T15      T15 '2-{3-[(benzylsulfonyl)amino]-6-methy' non-polymer        72  38 .
T16      T16 'BOROLOG2                            ' non-polymer        67  35 .
T18      T18 'N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-' non-polymer        57  38 .
T19      T19 'PHENYLMETHYLENECARBOXY-(METHYLENEAMI' non-polymer        76  42 .
T1A      T1A 'TETRAETHYLARSONIUM ION              ' non-polymer        29   9 .
T1D      T1D '5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THI' non-polymer        36  22 .
T1N      T1N '(2S)-2-[6-(methylsulfanyl)naphthalen' non-polymer        30  17 .
T1P      T1P '"3-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4' non-polymer        48  29 .
T22      T22 '2-({6-[(3R)-3-aminopiperidin-1-yl]-3' non-polymer        46  25 .
T23      T23 '2'-O-METHYL-3'-METHYL-3'-DEOXY-ARABI' non-polymer        40  23 .
T24      T24 '(9Z,11E,13S,15Z)-13-hydroxyoctadeca-' non-polymer        50  21 .
T25      T25 '(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl' non-polymer        52  21 .
T27      T27 '4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-d' non-polymer        46  28 .
T29      T29 'TRI166 (BIFUNCTIONAL BORONATE INHIBI' non-polymer        68  34 .
T2A      T2A '5-methyl-7-phenyl-N-(3,4,5-trimethox' non-polymer        50  29 .
T2D      T2D '1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXI' non-polymer        22  14 .
T2M      T2M 'TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINE' non-polymer        25  12 .
T2P      T2P '"3-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4' non-polymer        48  29 .
T2S      T2S 'THYMIDINE-5'-DITHIOPHOSPHORATE      ' non-polymer        36  21 .
T2T      T2T '.                                   ' DNA                78  44 .
T30      T30 '3-[1-(4-fluorophenyl)cyclopropyl]-4-' non-polymer        48  29 .
T32      T32 '.                                   ' non-polymer        39  22 .
T33      T33 '3,3'-DEIODO-THYROXINE               ' non-polymer        34  22 .
T38      T38 '.                                   ' non-polymer        45  26 .
T39      T39 '.                                   ' non-polymer        45  26 .
T3A      T3A 'N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMIN' non-polymer        32  15 .
T3       T3  '3,5,3'TRIIODOTHYRONINE              ' non-polymer        34  23 .
T3F      T3F '"(3R,4S,5R,6R)-4-amino-3,5-dihydroxy' non-polymer        60  35 .
T3M      T3M '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        46  28 .
T3O      T3O '4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXAB' non-polymer        41  19 .
T3P      T3P 'THYMIDINE-3'-PHOSPHATE              ' non-polymer        34  21 .
T3Q      T3Q '"[(3R,4S,5S,6R)-4-amino-3,5-dihydrox' non-polymer        60  35 .
T3S      T3S '5'-deoxy-5'-piperidin-1-ylthymidine ' non-polymer        45  22 .
T41      T41 '.                                   ' non-polymer        38  23 .
T42      T42 'MORPHOLINO-DIPHENYLALANINE-METHOXYPR' non-polymer        81  42 .
T44      T44 '3,5,3',5'-TETRAIODO-L-THYRONINE     ' non-polymer        34  24 .
T45      T45 'METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLA' non-polymer        14   9 .
T48      T48 '.                                   ' non-polymer        37  22 .
T49      T49 '.                                   ' non-polymer        34  21 .
T4A      T4A '.                                   ' non-polymer        29  22 .
T4B      T4B '.                                   ' non-polymer        61  36 .
T4K      T4K '.                                   ' non-polymer        81  50 .
T4P      T4P '"3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4' non-polymer        48  29 .
T4S      T4S '"1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                34  21 .
T50      T50 '1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUO' non-polymer        41  27 .
T55      T55 '8-methylnonanamide                  ' non-polymer        33  12 .
T5A      T5A 'P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENT' non-polymer        80  55 .
T5C      T5C '2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-S' non-polymer        89  50 .
T5M      T5M '2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOIN' non-polymer        43  22 .
T5O      T5O '.                                   ' DNA                35  22 .
T5P      T5P '"3-{2,6,8-TRIOXO-9-[(2S,3S,4R)-2,3,4' non-polymer        48  29 .
T5S      T5S '.                                   ' DNA                35  22 .
T5X      T5X '2-C-{3-[(4-amino-2-methylpyrimidin-5' non-polymer        65  40 .
T66      T66 '2-AMINOETHYLLYSINE-CARBONYLMETHYLENE' non-polymer        49  25 .
T6A      T6A 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' RNA                51  33 .
T6F      T6F '2-C-{3-[(4-amino-2-methylpyrimidin-5' non-polymer        69  42 .
T6P      T6P 'TREHALOSE-6-PHOSPHATE               ' pyranose           48  27 .
T74      T74 'N~3~-(2,6-dimethylphenyl)-1-(3-metho' non-polymer        76  38 .
T76      T76 '(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3' non-polymer        68  35 .
T80      T80 'METHYLPENTA(OXYETHYL) HEPTADECANOATE' non-polymer        94  36 .
T87      T87 '"[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO' non-polymer        70  39 .
T8N      T8N '(2E)-2-(2-methoxy-2-oxoethyl)but-2-e' non-polymer        19  13 .
T95      T95 'N-(2,6-dimethylphenyl)-4-(2-ethoxyph' non-polymer        81  43 .
T98      T98 '5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO' non-polymer        36  21 .
T9T      T9T 'triphenylstannanyl                  ' non-polymer        34  19 .
TA1      TA1 'TAXOL                               ' non-polymer       113  62 .
TA2      TA2 '(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-' non-polymer        25  12 .
TA3      TA3 '"(4S,5R)-3-(2-DEOXY-5-O-PHOSPHONO-BE' DNA                35  20 .
TA4      TA4 '(S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIA' non-polymer        30  15 .
TA5      TA5 '2H-1,2,3-TRIAZOL-4-YLMETHANOL       ' non-polymer        12   7 .
TA6      TA6 '6-O-PHOSPHONO-BETA-D-TAGATOFURANOSE ' non-polymer        27  16 .
TA9      TA9 '9-oxo-N-[[(2R,3R,4R,5R,6S)-3,4,5-tri' non-polymer        50  28 .
TAA      TAA '"[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BE' non-polymer        58  37 .
TAB      TAB '"ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-' non-polymer        59  33 .
TAC      TAC 'TETRACYCLINE                        ' non-polymer        56  32 .
TAD      TAD 'BETA-METHYLENE-THIAZOLE-4-CARBOXYAMI' non-polymer        70  43 .
TAF      TAF '.                                   ' DNA                34  22 .
TAG      TAG 'D-tagatose                          ' non-polymer        24  12 .
TAK      TAK '6-[4-(2-piperidin-1-ylethoxy)phenyl]' non-polymer        55  30 .
TAL      TAL '9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-' non-polymer        36  20 .
TAM      TAM 'TRIS(HYDROXYETHYL)AMINOMETHANE      ' non-polymer        28  11 .
TAN      TAN '2,2-dimethylpropanenitrile          ' non-polymer        15   6 .
TAO      TAO 'TROLEANDOMYCIN                      ' non-polymer       124  57 .
TAP      TAP '7-THIONICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer        73  48 .
TAQ      TAQ '2,4,6-TRIAMINOQUINAZOLINE           ' non-polymer        22  13 .
TAR      TAR 'D(-)-TARTARIC ACID                  ' non-polymer        14  10 .
TAS      TAS 'TRIHYDROXYARSENITE(III)             ' non-polymer         7   4 .
TAT      TAT 'ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPH' non-polymer        44  31 .
TAU      TAU '2-AMINOETHANESULFONIC ACID          ' non-polymer        14   7 .
TAV      TAV '"N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)' non-polymer        70  46 .
TAX      TAX '(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-P' non-polymer        58  28 .
TAY      TAY '2,2-dimethylpropanamide             ' non-polymer        18   7 .
TAZ      TAZ 'TAZOBACTAM                          ' non-polymer        31  20 .
TB0      TB0 'tert-butyl isocyanide               ' non-polymer        15   6 .
TB1      TB1 '(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID  ' non-polymer        28  17 .
TB9      TB9 '4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer        41  21 .
TBA      TBA 'TETRABUTYLAMMONIUM ION              ' non-polymer        53  17 .
TBC      TBC '(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYD' non-polymer        37  21 .
TB       TB  'TERBIUM(III) ION                    ' non-polymer         1   1 .
TBD      TBD '2*-DEOXY-THYMIDINE-5*-ALPHA BORANO D' non-polymer        42  25 .
TBE      TBE 'TAZOBACTAM INTERMEDIATE             ' non-polymer        33  20 .
TBF      TBF 'TERT-BUTYL FORMATE                  ' non-polymer        17   7 .
TBG      TBG 'T-BUTYL GLYCINE                     ' peptide            21   9 .
TBH      TBH '"5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHY' non-polymer        88  43 .
TBI      TBI 'TAZOBACTAM TRANS-ENAMINE INTERMEDIAT' non-polymer        33  20 .
TBL      TBL 'N-[(4-methoxyphenyl)sulfonyl]-D-alan' non-polymer        29  17 .
TBM      TBM '4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMET' non-polymer        35  15 .
TBN      TBN '"'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN' non-polymer        33  19 .
TBO      TBO '5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer        41  21 .
TBP      TBP '2,4,6-TRIBROMOPHENOL                ' non-polymer        13  10 .
TBR      TBR 'HEXATANTALUM DODECABROMIDE          ' non-polymer        18  18 .
TBS      TBS '4,5,6,7-TETRABROMOBENZOTRIAZOLE     ' non-polymer        14  13 .
TBT      TBT '8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRAC' non-polymer        37  21 .
TBU      TBU 'TERTIARY-BUTYL ALCOHOL              ' non-polymer        15   5 .
TBV      TBV '"3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETH' non-polymer        91  47 .
TBY      TBY 'tributylstannanyl                   ' non-polymer        40  13 .
TBZ      TBZ '2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-P' non-polymer        70  41 .
TC1      TC1 '3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURA' DNA                41  27 .
TC2      TC2 'N-{2-[bis(2-{[(2,3-dihydroxyphenyl)c' non-polymer        69  40 .
TC3      TC3 'ETHYL HYDROGEN METHYLAMIDOPHOSPHATE ' non-polymer        18   8 .
TC4      TC4 'BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLC' non-polymer        61  26 .
TC5      TC5 'ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE ' non-polymer        24  10 .
TC7      TC7 '2,4,5-trichlorophenol               ' non-polymer        13  10 .
TC8      TC8 '3-(2,6-difluorophenyl)-2-(methylthio' non-polymer        31  21 .
TCA      TCA 'PHENYLETHYLENECARBOXYLIC ACID       ' non-polymer        18  11 .
TCB      TCB 'THIOCELLOBIOSE                      ' saccharide         45  23 .
TCC      TCC '2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL ' non-polymer        25  16 .
TCD      TCD '3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRI' non-polymer        32  24 .
TCE      TCE '.                                   ' non-polymer        28  16 .
TCF      TCF '3-(4-BROMOPHENYL)PROPANAMIDE        ' non-polymer        22  12 .
TCH      TCH 'TAUROCHOLIC ACID                    ' non-polymer        80  35 .
TCI      TCI '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-' non-polymer        53  23 .
TCK      TCK 'N-[(1S)-5-amino-1-(chloroacetyl)pent' non-polymer        42  21 .
TCL      TCL 'TRICLOSAN                           ' non-polymer        24  17 .
TCM      TCM 'THIOCAMPHOR                         ' non-polymer        27  11 .
TCN      TCN 'TETRACYANONICKELATE ION             ' non-polymer         9   9 .
TCO      TCO 'TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETH' non-polymer        40  17 .
TCP      TCP '5'-METHYLTHYMIDINE                  ' non-polymer        34  18 .
TCQ      TCQ '"3-((3E)-4-(HYDROXYMETHYL)-6-OXO-3-{' non-polymer        42  24 .
TCR      TCR 'CYCLOMETHYLTRYPTOPHAN               ' non-polymer        27  16 .
TCT      TCT '6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHT' non-polymer        31  20 .
TCU      TCU '5-HEXYL-2-(2-METHYLPHENOXY)PHENOL   ' non-polymer        45  21 .
TCX      TCX 'ethylphosphoramidic acid            ' non-polymer        15   7 .
TCY      TCY '"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-' non-polymer        39  25 .
TCZ      TCZ '1,3,5-TRICHLORO-BENZENE             ' non-polymer        12   9 .
TD3      TD3 '2-[hydroxy(4-hydroxybutyl)amino]-2-o' non-polymer        27  15 .
TD4      TD4 '4-{hydroxy[(phosphonooxy)acetyl]amin' non-polymer        30  19 .
TDA      TDA 'N-TRIDECANOIC ACID                  ' non-polymer        40  15 .
TDB      TDB '6-METHYL-2(PROPANE-1-SULFONYL)-2H-TH' non-polymer        30  17 .
TDC      TDC '5A,6-ANHYDROTETRACYCLINE            ' non-polymer        53  31 .
TDD      TDD '(2R)-2-amino-3,3-dimethyl-butanoic a' peptide            21   9 .
TDE      TDE '"(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-' non-polymer        59  27 .
TDG      TDG 'THIODIGALACTOSIDE                   ' saccharide         45  23 .
TDI      TDI '(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D' non-polymer        39  20 .
TDK      TDK '3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        57  34 .
TDL      TDL '3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        51  32 .
TDM      TDM '"2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMID' non-polymer        48  29 .
TDO      TDO 'DTDP-4-KETO-L-RHAMNOSE              ' non-polymer        57  35 .
TDP      TDP 'THIAMIN DIPHOSPHATE                 ' non-polymer        42  26 .
TDR      TDR 'THYMINE                             ' non-polymer        15   9 .
TDS      TDS '8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-T' non-polymer        68  30 .
TDT      TDT '"1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-' non-polymer       114  70 .
TDX      TDX 'THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE' non-polymer        56  34 .
TDY      TDY '.                                   ' DNA                41  23 .
TDZ      TDZ '(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-T' non-polymer        58  31 .
TE1      TE1 '"(2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy' non-polymer        39  20 .
TEA      TEA 'TRIETHYLAMMONIUM ION                ' non-polymer        23   7 .
TEB      TEB '"(4R,5S)-3-(1-(4,5-dihydrothiazol-2-' non-polymer        47  25 .
TE       TE  'TELLURIUM                           ' non-polymer         1   1 .
TEE      TEE '2-AMINO-ETHENETHIOL                 ' non-polymer         9   4 .
TEF      TEF '4-(2H-tetrazol-2-yl)-L-phenylalanine' peptide            27  17 .
TEI      TEI '2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-MET' non-polymer        37  22 .
TEJ      TEJ '(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-' non-polymer        69  31 .
TEL      TEL 'TELITHROMYCIN                       ' non-polymer       123  58 .
TEM      TEM 'N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-T' non-polymer        22  11 .
TEN      TEN 'TRIETHYL PHOSPHATE                  ' non-polymer        26  11 .
TEO      TEO 'MALATE LIKE INTERMEDIATE            ' non-polymer        13   9 .
TEP      TEP 'THEOPHYLLINE                        ' non-polymer        21  13 .
TER      TER 'N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)' non-polymer        40  14 .
TES      TES 'TESTOSTERONE                        ' non-polymer        49  21 .
TET      TET '"URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCO' non-polymer        76  50 .
TF1      TF1 '4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3' non-polymer        47  27 .
TF2      TF2 '(N-{4-[(ETHYLANILINO)SULFONYL]-2-MET' non-polymer        50  29 .
TF3      TF3 'N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-I' non-polymer        50  25 .
TF4      TF4 'DICHLORO-ACETIC ACID                ' non-polymer         7   6 .
TF5      TF5 '2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)' non-polymer        30  19 .
TF6      TF6 '4-(3-{[5-(trifluoromethyl)pyridin-2-' non-polymer        46  27 .
TFA      TFA 'trifluoroacetic acid                ' non-polymer         7   7 .
TFB      TFB 'TETRAHYDROFURAN-2-CARBOXYLIC ACID   ' non-polymer        15   8 .
TFC      TFC '1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE' non-polymer        35  16 .
TFE      TFE '.                                   ' DNA                41  27 .
TFG      TFG '2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-' non-polymer        45  29 .
TFI      TFI '2-[5-METHANESULFONYLAMINO-2-(4-AMINO' non-polymer        55  33 .
TFK      TFK '"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-' non-polymer        56  33 .
TFL      TFL '2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROX' non-polymer        37  20 .
TFM      TFM 'S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL' non-polymer        27  16 .
TFO      TFO '[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLE' non-polymer        33  19 .
TFP      TFP '10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROP' non-polymer        52  28 .
TFQ      TFQ '4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALA' non-polymer        28  17 .
TFS      TFS 'trifluoromethanesulfonic acid       ' non-polymer         9   8 .
TFT      TFT '(L)-ALPHA-THREOFURANOSYL-THYMINE-3'-' non-polymer        31  20 .
TFX      TFX '2-[4-(dimethylamino)phenyl]-3,6-dime' non-polymer        39  20 .
TG1      TG1 '.                                   ' non-polymer        96  46 .
TGC      TGC '3-thiaglutaryl-CoA                  ' non-polymer        91  56 .
TGF      TGF '"2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO' non-polymer        85  52 .
TGG      TGG 'GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL' non-polymer        45  28 .
TGL      TGL 'TRISTEAROYLGLYCEROL                 ' non-polymer       173  63 .
TGN      TGN '"3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8' non-polymer        45  23 .
TGP      TGP '.                                   ' non-polymer        37  23 .
TGT      TGT 'TAGETITOXIN                         ' non-polymer        40  26 .
TGU      TGU 'TRIGALACTURONIC ACID                ' non-polymer        60  37 .
TH0      TH0 '4-MERCAPTOBENZENE-1,3-DIOL          ' non-polymer        15   9 .
TH1      TH1 '2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-B' pyranose           38  21 .
TH2      TH2 'TESTOSTERONE HEMISUCCINATE          ' non-polymer        59  28 .
TH3      TH3 'TRANS DELTA2 PALMITENOYL-COENZYMEA  ' non-polymer       125  65 .
TH4      TH4 '{(2Z)-3-[(6-chloropyridin-3-yl)methy' non-polymer        25  16 .
TH5      TH5 'O-acetyl-L-threonine                ' non-polymer        21  11 .
TH6      TH6 '4-HYDROXY-L-THREONINE               ' peptide            17   9 .
TH7      TH7 '2,4-dihydroxybenzenesulfenic acid   ' non-polymer        16  10 .
TH8      TH8 'THIAMPHENICOL                       ' non-polymer        36  21 .
THA      THA 'TACRINE                             ' non-polymer        29  15 .
THC      THC 'N-METHYLCARBONYLTHREONINE           ' M-peptide          21  11 .
THD      THD '"2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDIN' non-polymer        49  30 .
THE      THE 'THREONATE ION                       ' non-polymer        16   9 .
THF      THF '5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID' non-polymer        55  34 .
THG      THG '(6S)-5,6,7,8-TETRAHYDROFOLATE       ' non-polymer        53  32 .
THH      THH '"N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-ME' non-polymer        56  33 .
THI      THI 'THIAZOLO-3-PHENYLISOINDOL-1-ONE     ' non-polymer        32  19 .
THJ      THJ 'THIOSULFATE                         ' non-polymer         5   5 .
THK      THK '4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUOR' non-polymer        56  29 .
THL      THL 'tetrahydrofolate'                     non-polymer        53  32 .
THM      THM 'THYMIDINE                           ' non-polymer        31  17 .
THN      THN '"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLA' non-polymer        35  23 .
THO      THO 'REDUCED THREONINE                   ' non-polymer        18   7 .
THP      THP 'THYMIDINE-3',5'-DIPHOSPHATE         ' non-polymer        37  25 .
THR      THR 'THREONINE                           ' peptide            14   7 .
THS      THS 'THYMIDINE-5'-(DITHIO)PHOSPHATE      ' non-polymer        36  21 .
THT      THT 'TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTE' non-polymer        63  24 .
THU      THU 'TETRAHYDRODEOXYURIDINE              ' non-polymer        30  16 .
THV      THV 'C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN' non-polymer        54  31 .
THW      THW 'C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHA' non-polymer        55  34 .
THX      THX '.                                   ' non-polymer       125  73 .
THY      THY 'C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN ' non-polymer        57  32 .
THZ      THZ '1-[(4S)-4-amino-5-(1,3-benzothiazol-' non-polymer        37  20 .
TI1      TI1 '[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA' non-polymer        53  26 .
TI2      TI2 '(2-SULFANYL-3-PHENYLPROPANOYL)-PHE-T' non-polymer        62  35 .
TI3      TI3 '[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-' non-polymer        52  29 .
TIA      TIA '2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZO' furanose           28  16 .
TIC      TIC 'ticlopidine                         ' non-polymer        31  17 .
TIH      TIH 'BETA(2-THIENYL)ALANINE              ' peptide            19  11 .
TIL      TIL '[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRI' non-polymer        34  22 .
TIM      TIM '(2S)-1-(tert-butylamino)-3-[(4-morph' non-polymer        45  21 .
TIN      TIN '.                                   ' non-polymer        83  38 .
TIO      TIO '(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL' non-polymer        31  17 .
TIS      TIS 'O-(1,1-dihydroxyethyl)-L-serine     ' peptide            21  11 .
TIT      TIT 'N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-' non-polymer        91  46 .
TIZ      TIZ '(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZO' non-polymer        29  17 .
TK1      TK1 '1-({5-[4-(methylsulfonyl)phenoxy]-2-' non-polymer        54  34 .
TK4      TK4 '2-ACETYLAMINO-NAPTHALENE-1,5-DISULFO' non-polymer        33  22 .
TKL      TKL '(S)-2-(4-((S)-1,5-DIAMINOPENTYL)-1H-' non-polymer        44  19 .
TKT      TKT '(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1' non-polymer        41  21 .
TL1      TL1 '2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHE' non-polymer        50  28 .
TL2      TL2 '2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5' non-polymer        50  28 .
TL3      TL3 '2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHE' non-polymer        50  28 .
TL4      TL4 '2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5' non-polymer        50  28 .
TL5      TL5 '(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3' non-polymer        31  15 .
TL6      TL6 '(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDR' non-polymer        25  13 .
TLA      TLA 'L(+)-TARTARIC ACID                  ' non-polymer        14  10 .
TLB      TLB '2'-O,3'-C-METHYLENE-ARABINOFURANOSYL' non-polymer        36  23 .
TLC      TLC '2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMI' non-polymer        39  24 .
TL       TL  'THALLIUM (I) ION                    ' non-polymer         1   1 .
TLD      TLD '4-methylbenzene-1,2-dithiol         ' non-polymer        17   9 .
TLM      TLM 'THIOLACTOMYCIN                      ' non-polymer        28  14 .
TLN      TLN '"[(1R,3R,4R,7S)-7-HYDROXY-3-(THYMIN-' DNA                36  23 .
TLP      TLP '"3-HYDROXY-2-[(3-HYDROXY-2-METHYL-5-' non-polymer        39  23 .
TLX      TLX 'N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO' non-polymer        43  16 .
TM2      TM2 '.                                   ' non-polymer        47  29 .
TM3      TM3 '2-[[6-[[[2-(3-hydroxypropyl)-5-methy' non-polymer        83  41 .
TM5      TM5 'THIO-MALTOPENTAOSE                  ' non-polymer       108  56 .
TM6      TM6 'THIO-MALTOHEXAOSE                   ' non-polymer       129  67 .
TMA      TMA 'TETRAMETHYLAMMONIUM ION             ' non-polymer        17   5 .
TMC      TMC '1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCL' non-polymer        34  18 .
TMD      TMD '(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIM' M-peptide          34  14 .
TME      TME 'PROPANE                             ' non-polymer        11   3 .
TMF      TMF '5,10-METHYLENE-6-HYDROFOLIC ACID    ' non-polymer        52  33 .
TMG      TMG '2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOL' non-polymer        21  14 .
TMH      TMH '(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEP' non-polymer        26  10 .
TMI      TMI '1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IM' non-polymer        42  24 .
TMJ      TMJ 'N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDR' non-polymer        36  21 .
TMM      TMM '1,3,5-BENZENETRICARBOXYLIC ACID     ' non-polymer        18  15 .
TMO      TMO 'trimethylamine oxide                ' non-polymer        14   5 .
TMP      TMP 'THYMIDINE-5'-PHOSPHATE              ' non-polymer        34  21 .
TMQ      TMQ 'TRIMETREXATE                        ' non-polymer        51  27 .
TMR      TMR '2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBO' pyranose           25  11 .
TMS      TMS 'N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-' non-polymer        52  27 .
TMT      TMT '2,3,4-TRIMETHYL-1,3-THIAZOLE        ' non-polymer        18   8 .
TMU      TMU 'N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-' non-polymer        33  21 .
TMZ      TMZ '3,4,5-TRIMETHYL-1,3-THIAZOLE        ' non-polymer        18   8 .
TN1      TN1 '5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL   ' non-polymer        23  11 .
TN2      TN2 '5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)' non-polymer        26  19 .
TN3      TN3 '3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOX' non-polymer        31  20 .
TN4      TN4 '"(CHLOROACETYL)CARBAMIC ACID (3R,4S,' non-polymer        55  27 .
TN5      TN5 '2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLORO' non-polymer        26  17 .
TN6      TN6 'diethylphosphoramidic acid          ' non-polymer        21   9 .
TN7      TN7 'ethyl hydrogen ethylamidophosphate  ' non-polymer        21   9 .
TNA      TNA '"N-[(3S)-3-{[(3S)-3-amino-3-carboxyp' non-polymer        43  24 .
TNB      TNB 'S-(2,3,6-TRINITROPHENYL)CYSTEINE    ' peptide            29  22 .
TNC      TNC '"4-DIMETHYLAMINO-1,10,11,12-TETRAHYD' non-polymer        49  29 .
TND      TND 'N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[' non-polymer        73  41 .
TNE      TNE '8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-' non-polymer        23  10 .
TNF      TNF 'PICRIC ACID                         ' non-polymer        19  16 .
TNK      TNK '6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROP' non-polymer        51  27 .
TNL      TNL '2,4,6-TRINITROTOLUENE               ' non-polymer        21  16 .
TNM      TNM '[(2R)-1-(6-aminopurin-9-yl)propan-2-' non-polymer        36  23 .
TNP      TNP '3,5,6,8-TETRAMETHYL-N-METHYL PHENANT' non-polymer        38  19 .
TNR      TNR 'O-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GALAC' peptide            40  21 .
TNS      TNS '.                                   ' non-polymer        47  26 .
TNT      TNT '1,3-BIS(AMIDINOPHENOXY)PROPANE      ' non-polymer        43  23 .
TNV      TNV '[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLE' non-polymer        40  27 .
TNY      TNY '"(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-(ace' peptide            43  22 .
TOA      TOA '3-DEOXY-3-AMINO GLUCOSE             ' pyranose           26  12 .
TOB      TOB '1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE' non-polymer        26  10 .
TOC      TOC '2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE  ' pyranose           27  11 .
TOE      TOE '2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHO' non-polymer        26  11 .
TOH      TOH '(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-' non-polymer        21  14 .
TOL      TOL 'TOLRESTAT                           ' non-polymer        37  24 .
TOM      TOM '4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC' non-polymer        24  15 .
TON      TON '2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PH' non-polymer        51  21 .
TOP      TOP 'TRIMETHOPRIM                        ' non-polymer        39  21 .
TOR      TOR '.                                   ' non-polymer        43  22 .
TOS      TOS 'P-SULFINOTOLUENE                    ' non-polymer        18  10 .
TOT      TOT '1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUN' non-polymer       115  57 .
TOU      TOU 'THIOUREA                            ' non-polymer         8   4 .
TOX      TOX '2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-' non-polymer        30  16 .
TOY      TOY 'TOBRAMYCIN                          ' non-polymer        69  32 .
TP1      TP1 '2-(METHYLAMINO)-ETHYLGLYCINE-CARBONY' non-polymer        38  21 .
TP2      TP2 'N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIO' non-polymer        41  21 .
TP3      TP3 '4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE' non-polymer        46  29 .
TP4      TP4 '"N-[4-[[GLUTAMIC ACID]-CARBONYL]-BEN' non-polymer        56  34 .
TP5      TP5 'THIOPHENE-3-CARBOXIMIDAMIDE         ' non-polymer        14   8 .
TP6      TP6 '3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-' non-polymer        54  31 .
TP7      TP7 'PHOSPHORIC ACID N-(1-HYDROXY-7-MERCA' non-polymer        42  21 .
TP8      TP8 '5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHOR' non-polymer        54  35 .
TP9      TP9 '"(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN' non-polymer        42  25 .
TPA      TPA 'TRANS-2-PHENYLCYCLOPROPYLAMINE      ' non-polymer        22  10 .
TPB      TPB '4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-P' non-polymer        44  25 .
TPC      TPC '.                                   ' non-polymer        34  20 .
TPD      TPD 'N-(2-THIENYLMETHYL)-2,5-THIOPHENEDIS' non-polymer        29  19 .
TPE      TPE '.                                   ' non-polymer        54  34 .
TPF      TPF '2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2' non-polymer        34  22 .
TPG      TPG '2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOS' non-polymer        86  54 .
TPI      TPI '"4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHO' non-polymer        45  29 .
TPL      TPL 'TRYPTOPHANOL                        ' non-polymer        28  14 .
TPM      TPM '2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRA' non-polymer        33  15 .
TPN      TPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        36  20 .
TPO      TPO 'PHOSPHOTHREONINE                    ' peptide            19  12 .
TPP      TPP 'THIAMINE DIPHOSPHATE                ' non-polymer        42  26 .
TPQ      TPQ '5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY' peptide            23  15 .
TPR      TPR 'TOSYL-D-PROLINE                     ' non-polymer        32  18 .
TPS      TPS 'THIAMIN PHOSPHATE                   ' non-polymer        38  22 .
TPT      TPT '.                                   ' non-polymer        30  19 .
TPU      TPU '"2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        41  26 .
TPV      TPV 'N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6' non-polymer        75  42 .
TPW      TPW '"2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        42  26 .
TPX      TPX '(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENY' non-polymer        39  21 .
TPY      TPY '(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL' non-polymer        38  23 .
TPZ      TPZ 'O-phosphono-N-(5-sulfanylpentanoyl)-' non-polymer        34  19 .
TQ3      TQ3 '5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAM' non-polymer        31  19 .
TQ4      TQ4 '5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUI' non-polymer        34  20 .
TQ5      TQ5 '5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-Q' non-polymer        43  23 .
TQ6      TQ6 '5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-' non-polymer        44  25 .
TQD      TQD '(2R,6S)-6-{[methyl(3,4,5-trimethoxyp' non-polymer        56  27 .
TQP      TQP '.                                   ' non-polymer        81  50 .
TQQ      TQQ '(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7' peptide            27  17 .
TQT      TQT '6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DEC' non-polymer        55  22 .
TR1      TR1 '"2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMIN' non-polymer        63  32 .
TRA      TRA 'ACONITATE ION                       ' non-polymer        15  12 .
TRC      TRC 'TRICARBALLYLIC ACID                 ' non-polymer        17  12 .
TRD      TRD 'TRIDECANE                           ' non-polymer        41  13 .
TRE      TRE 'TREHALOSE                           ' pyranose           45  23 .
TRF      TRF 'N1-FORMYL-TRYPTOPHAN                ' peptide            28  17 .
TRH      TRH '2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE  ' non-polymer        59  35 .
TRI      TRI '1,2,4-TRIAZOLE                      ' non-polymer         8   5 .
TRJ      TRJ 'META-DI(AMINOMETHYL)BENZENE         ' non-polymer        22  10 .
TRL      TRL '"{1-[2-(1-FORMYL-PROPYL)-3-METHANESU' non-polymer        64  29 .
TRM      TRM '1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID ' non-polymer        17  12 .
TRN      TRN 'NZ2-TRYPTOPHAN                      ' peptide            25  15 .
TRO      TRO '2-HYDROXY-TRYPTOPHAN                ' peptide            27  16 .
TRP      TRP 'TRYPTOPHAN                          ' peptide            24  14 .
TRQ      TRQ '2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-' peptide            26  17 .
TRR      TRR '2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZ' non-polymer        40  21 .
TRS      TRS '2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-' non-polymer        20   8 .
TRT      TRT 'FRAGMENT OF TRITON X-100            ' non-polymer        61  25 .
TRU      TRU '"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIH' non-polymer        28  20 .
TRW      TRW '"TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(' non-polymer        41  23 .
TRX      TRX '6-HYDROXYTRYPTOPHAN                 ' peptide            27  16 .
TRZ      TRZ 'TRAZEOLIDE                          ' non-polymer        50  23 .
TS0      TS0 '"4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4' non-polymer        51  30 .
TS1      TS1 '"4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4' non-polymer        51  30 .
TS2      TS2 '"2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUT' non-polymer        93  48 .
TS4      TS4 'GLUTATHIONYLSPERMIDINE DISULFIDE    ' non-polymer       122  58 .
TS5      TS5 'GLUTATHIONYLSPERMIDINE              ' non-polymer        62  29 .
TS6      TS6 'Monothiophosphate                   ' non-polymer         8   5 .
TS9      TS9 '(2S,3S,4R)-2-amino-3,4-dihydroxy-3-m' peptide            23  11 .
TSA      TSA '8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-' non-polymer        26  16 .
TSB      TSB '5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENO' non-polymer        51  30 .
TSC      TSC '(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANO' non-polymer        25  13 .
TSD      TSD '3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,' non-polymer        30  13 .
TSE      TSE 'THIOPHOSPHONOACETIC ACID            ' non-polymer        12   8 .
TSF      TSF '"3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8' non-polymer        55  32 .
TSH      TSH '2-(1H-INDOL-3-YL)ETHANIMINE         ' non-polymer        22  12 .
TSI      TSI '(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-D' non-polymer        21   8 .
TSL      TSL 'TRANS-ENAMINE INTERMEDIATE OF SULBAC' non-polymer        27  15 .
TSM      TSM '2-methylpropane-2-sulfonic acid     ' non-polymer        18   8 .
TSN      TSN 'TRICHOSTATIN A                      ' non-polymer        44  22 .
TSO      TSO '(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO' non-polymer        26  16 .
TSP      TSP '3'-THIO-THYMIDINE-5'-PHOSPHATE      ' non-polymer        34  21 .
TSR      TSR '2-(1H-INDOL-3-YL)ACETAMIDE          ' non-polymer        23  13 .
TSS      TSS '2-(1H-INDOL-3-YL)ETHANAMINE         ' non-polymer        24  12 .
TST      TST '"4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)' non-polymer        52  27 .
TSU      TSU 'PARA-TOLUENE SULFONATE              ' non-polymer        19  11 .
TSX      TSX 'N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,' non-polymer        54  29 .
TSZ      TSZ 'HYDRAZINECARBOTHIOAMIDE             ' non-polymer        10   5 .
TT1      TT1 '4-benzyl-3-[(2-chlorobenzyl)sulfanyl' non-polymer        42  26 .
TT2      TT2 '(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-h' non-polymer        90  38 .
TTA      TTA 'TETRAPHENYL-ARSONIUM                ' non-polymer        45  25 .
TTB      TTB '"4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,' non-polymer        53  26 .
TTC      TTC '"(S)-10-[(DIMETHYLAMINO)METHYL]-4-ET' non-polymer        54  31 .
TT       TT  '.                                   ' non-polymer        66  39 .
TTD      TTD 'CIS-SYN CYCLOBUTANE THYMINE DIMER   ' non-polymer        66  41 .
TTE      TTE 'PHOSPHOMETHYL PHOSPHONIC ACID DEOXYT' non-polymer        47  29 .
TTF      TTF '4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1' non-polymer        19  14 .
TTG      TTG '"2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-' non-polymer        56  32 .
TTI      TTI '.                                   ' non-polymer        32  21 .
TTL      TTL 'TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAH' non-polymer        25  12 .
TTM      TTM 'N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE ' DNA                40  23 .
TTN      TTN 'TARTRONATE                          ' non-polymer        10   8 .
TTO      TTO '(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARS' non-polymer        47  27 .
TTP      TTP 'THYMIDINE-5'-TRIPHOSPHATE           ' non-polymer        42  29 .
TTQ      TTQ '6-AMINO-7-HYDROXY-L-TRYPTOPHAN      ' peptide            29  17 .
TTR      TTR '9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBA' non-polymer        30  17 .
TTS      TTS '"3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYP' peptide            41  24 .
TTT      TTT '5-amino-2-methyl-N-[(1R)-1-naphthale' non-polymer        43  23 .
TTX      TTX 'TENTOXIN                            ' non-polymer        60  30 .
TTZ      TTZ 'N-[(3AS,4R,5S,6S,6AS)-4,5,6-TRIHYDRO' non-polymer        47  25 .
TUD      TUD 'TAUROCHENODEOXYCHOLIC ACID          ' non-polymer        79  34 .
TUI      TUI '"2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)TH' non-polymer        50  33 .
TUN      TUN 'ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE' non-polymer        27  11 .
TUO      TUO '2-(hydrazinocarbonyl)-3-phenyl-1H-in' non-polymer        37  23 .
TUX      TUX '1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYD' non-polymer        71  30 .
TVN      TVN 'N-{(2R)-4-(methylamino)-4-oxo-2-[4-(' non-polymer        66  36 .
TWN      TWN '(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRA' non-polymer        67  25 .
TWT      TWT 'DOCOSANE                            ' non-polymer        68  22 .
TX1      TX1 '2,4-dibromo-6-({[(2-nitrophenyl)carb' non-polymer        44  31 .
TX3      TX3 '2,4-dibromo-6-({[(2-chlorophenyl)car' non-polymer        45  29 .
TX4      TX4 'L-THREONOHYDROXAMATE 4-PHOSPHATE    ' non-polymer        24  14 .
TX5      TX5 '(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO' non-polymer        70  30 .
TXD      TXD '1,4,5,6-TETRAHYDRONICOTINAMIDE ADENI' non-polymer        73  44 .
TXF      TXF '(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY' non-polymer        62  31 .
TXL      TXL 'TAXOTERE                            ' non-polymer       111  58 .
TXN      TXN '.                                   ' non-polymer       124  75 .
TXP      TXP '1,4,5,6-TETRAHYDRONICOTINAMIDE ADENI' non-polymer        76  48 .
TXQ      TXQ '1,2,5,8-tetrahydroxyanthracene-9,10-' non-polymer        28  20 .
TXS      TXS '1-(2,5-dideoxy-5-pyrrolidin-1-yl-bet' non-polymer        42  21 .
TXT      TXT '4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3' non-polymer       110  55 .
TXX      TXX 'Thiostrepton                        ' non-polymer       199 114 .
TXZ      TXZ 'O-phosphono-N-(6-sulfanylhexanoyl)-L' non-polymer        37  20 .
TY2      TY2 '3-AMINO-L-TYROSINE                  ' peptide            25  14 .
TY4      TY4 '"4-bromo-2-({[(2-chlorophenyl)carbon' non-polymer        45  30 .
TY5      TY5 'O-benzyl-L-tyrosine                 ' peptide            36  20 .
TY8      TY8 '2,4-bis(hydroperoxy)-5-hydroxy-L-phe' peptide            27  17 .
TY9      TY9 '3,4-bis(hydroperoxy)-5-hydroxy-L-phe' peptide            27  17 .
TYA      TYA '.                                   ' non-polymer        58  34 .
TYB      TYB 'TYROSINAL                           ' non-polymer        23  12 .
TYC      TYC 'L-TYROSINAMIDE                      ' non-polymer        25  13 .
TYD      TYD 'THYMIDINE-5'-DIPHOSPHATE            ' non-polymer        38  25 .
TYE      TYE '4-[(2S)-2-amino-3-hydroxypropyl]phen' non-polymer        25  12 .
TYI      TYI '3,5-DIIODOTYROSINE                  ' peptide            23  15 .
TYK      TYK 'TYLOSIN                             ' non-polymer       141  64 .
TYL      TYL 'N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENO' non-polymer        20  11 .
TYM      TYM 'TRYPTOPHANYL-5'AMP                  ' non-polymer        60  37 .
TYN      TYN 'AMINOBENZOFURAZAN-O-TYROSINE        ' peptide            38  23 .
TYO      TYO '(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)' peptide            27  15 .
TYP      TYP 'CYCLO-(L-TYROSINE-L-PROLINE) INHIBIT' non-polymer        35  19 .
TYQ      TYQ '3-AMINO-6-HYDROXY-TYROSINE          ' peptide            26  15 .
TYR      TYR 'TYROSINE                            ' peptide            23  13 .
TYS      TYS 'O-SULFO-L-TYROSINE                  ' peptide            27  17 .
TYT      TYT 'TYROSINE DERIVATIVE                 ' non-polymer        43  24 .
TYU      TYU 'TETRAHYDROURIDINE                   ' non-polymer        33  17 .
TYV      TYV 'TYVELOSE                            ' pyranose           22  10 .
TYX      TYX 'S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE ' peptide            30  17 .
TYY      TYY '3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA' peptide            24  15 .
TYZ      TYZ 'PARA ACETAMIDO BENZOIC ACID         ' non-polymer        21  13 .
TZ1      TZ1 'N-{5-[(7-chloroquinolin-4-yl)sulfany' non-polymer        34  25 .
TZ4      TZ4 '3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,' non-polymer        95  50 .
TZ5      TZ5 '3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,' non-polymer        95  50 .
TZA      TZA 'TRANS-AMICLENOMYCIN                 ' non-polymer        29  14 .
TZB      TZB '(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5' non-polymer        21  12 .
TZC      TZC '1,2,4-TRIAZOLE-CARBOXAMIDINE        ' non-polymer        14   8 .
TZD      TZD '"2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        42  27 .
TZE      TZE '2-(4-METHYL-THIAZOL-5-YL)-ETHANOL   ' non-polymer        18   9 .
TZL      TZL '2-(SEC-BUTYL)THIAZOLE               ' non-polymer        20   9 .
TZO      TZO '1,3-THIAZOLE-4-CARBOXYLIC ACID      ' non-polymer        10   8 .
TZP      TZP '4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOS' non-polymer        21  13 .
TZT      TZT 'SOBLIDOTIN                          ' non-polymer       117  50 .
TZY      TZY '6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-Y' non-polymer        39  24 .
TZZ      TZZ 'TRIMETHYL PHOSPHATE                 ' non-polymer        17   8 .
U01      U01 '3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPY' non-polymer        40  23 .
U02      U02 '"[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDRO' non-polymer        79  41 .
U03      U03 '4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROP' non-polymer        41  23 .
U04      U04 '"({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-' non-polymer        61  33 .
U05      U05 '6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NIT' non-polymer        36  22 .
U0E      U0E 'N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLME' non-polymer        94  42 .
U10      U10 'UBIQUINONE-10                       ' non-polymer       153  63 .
U11      U11 '"METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY' non-polymer        47  27 .
U12      U12 '5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLA' non-polymer        26  19 .
U13      U13 '4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PY' non-polymer        23  16 .
U14      U14 '3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZ' non-polymer        25  18 .
U15      U15 '"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY' non-polymer        59  28 .
U16      U16 '"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY' non-polymer        65  30 .
U17      U17 'METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYH' non-polymer        59  26 .
U19      U19 '5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLA' non-polymer        26  19 .
U1       U1  'URANIUM ATOM                        ' non-polymer         1   1 .
U1K      U1K '(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTY' non-polymer        31  16 .
U1N      U1N '4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXO' non-polymer        45  24 .
U1P      U1P '.                                   ' non-polymer        35  23 .
U1S      U1S '1-{5-deoxy-5-[4-(ethoxycarbonyl)pipe' non-polymer        52  27 .
U20      U20 'uridine-5'-diphosphate-3-O-(R-3-hydr' non-polymer       106  55 .
U21      U21 'uridine-5'-diphosphate-3-O-(R-3-hydr' non-polymer        94  51 .
U22      U22 'uridine-5'-diphosphate-3-N-(R-3-hydr' non-polymer       101  53 .
U2F      U2F 'URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLU' non-polymer        57  36 .
U2G      U2G 'URIDYLYL-2'-5'-PHOSPHO-GUANOSINE    ' non-polymer        63  40 .
U2L      U2L '.                                   ' RNA                45  26 .
U2N      U2N '.                                   ' DNA                33  21 .
U2P      U2P '"PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-' non-polymer        32  21 .
U2S      U2S '1-(5-deoxy-5-morpholin-4-yl-alpha-L-' non-polymer        41  22 .
U31      U31 '.                                   ' non-polymer        43  25 .
U32      U32 '4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMI' non-polymer        34  19 .
U33      U33 '.                                   ' non-polymer        28  17 .
U34      U34 '.                                   ' non-polymer        37  22 .
U36      U36 '2'-O-METHYOXYETHYL-URIDINE-5'-MONOPH' non-polymer        42  25 .
U37      U37 '.                                   ' non-polymer        34  21 .
U3H      U3H '.                                   ' non-polymer        41  28 .
U3P      U3P '3'-URIDINEMONOPHOSPHATE             ' non-polymer        32  21 .
U3S      U3S '1-(5-deoxy-5-piperidin-1-yl-alpha-L-' non-polymer        43  22 .
U49      U49 '(20S)-19,20,21,22-TETRAHYDRO-19-OXO-' non-polymer        54  33 .
U4S      U4S '1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L' non-polymer        40  21 .
U51      U51 '"(6E)-7-{6-[(1E)-OCT-1-ENYL]-2,3-DIA' non-polymer        55  24 .
U55      U55 '4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZ' non-polymer        29  18 .
U5P      U5P 'URIDINE-5'-MONOPHOSPHATE            ' non-polymer        32  21 .
U66      U66 '(20S)-19,20,22,23-TETRAHYDRO-19-OXO-' non-polymer        61  34 .
U73      U73 'N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRID' non-polymer        33  18 .
U89      U89 '"N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6' non-polymer        82  48 .
U8U      U8U '5-METHYLAMINOMETHYL-2-THIOURIDINE-5'' RNA                40  24 .
UA1      UA1 'N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-' non-polymer        69  37 .
UA2      UA2 '3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PY' non-polymer        34  19 .
UA3      UA3 '.                                   ' non-polymer        32  21 .
UA4      UA4 '(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN' non-polymer        62  35 .
UA5      UA5 '(4-ETHYLPHENYL)SULFAMIC ACID        ' non-polymer        24  13 .
UAA      UAA 'URACIL-6-ACETIC ACID                ' non-polymer        17  12 .
UAD      UAD '"[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dih' non-polymer        54  34 .
UAG      UAG 'URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAM' non-polymer        97  58 .
UAL      UAL '(2Z)-2-amino-3-(carbamoylamino)prop-' non-polymer        16  10 .
UAP      UAP '1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCU' non-polymer        22  15 .
UAR      UAR '.                                   ' RNA                32  21 .
UB1      UB1 '"3-({3-[(2S)-2-amino-2-carboxyethyl]' non-polymer        37  26 .
UB2      UB2 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        56  29 .
UB3      UB3 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        62  31 .
UBA      UBA '(S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-C' non-polymer        37  24 .
UBB      UBB '2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHA' non-polymer        30  19 .
UBC      UBC '(S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-' non-polymer        37  24 .
UBE      UBE '"3-({3-[(2S)-2-amino-2-carboxyethyl]' non-polymer        47  30 .
UBF      UBF '"3-({3-[(2S)-2-amino-2-carboxyethyl]' non-polymer        34  24 .
UBP      UBP '3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-' non-polymer        30  19 .
UC1      UC1 '"2-METHYL-FURAN-3-CARBOTHIOIC ACID [' non-polymer        40  22 .
UC2      UC2 'N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-' non-polymer        42  23 .
UC3      UC3 '1-METHYL ETHYL 2-CHLORO-5-[[[(1-METH' non-polymer        38  20 .
UC4      UC4 '"1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIH' non-polymer        41  23 .
UC5      UC5 '2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONO' non-polymer        40  24 .
UCB      UCB '1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHL' non-polymer        72  35 .
UCD      UCD '"(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-AC' pyranose           46  26 .
U        U   'URIDINE-5'-MONOPHOSPHATE            ' RNA                32  21 .
UCL      UCL '.                                   ' non-polymer        31  21 .
UCM      UCM '"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-' non-polymer        45  30 .
UCN      UCN '7-HYDROXYSTAUROSPORINE              ' non-polymer        62  36 .
UCP      UCP 'PHOSPHOMETHYL PHOSPHONIC ACID DEOXYU' non-polymer        44  28 .
UD0      UD0 '.                                   ' non-polymer        84  55 .
UD1      UD1 'URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAM' non-polymer        64  39 .
UD2      UD2 'URIDINE-DIPHOSPHATE-N-ACETYLGALACTOS' non-polymer        64  39 .
UD4      UD4 'UDP-2-acetamido-4-amino-2,4,6-trideo' non-polymer        64  38 .
UD5      UD5 '5-FLUOROURIDINE                     ' non-polymer        33  21 .
UDA      UDA '3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-U' non-polymer        76  49 .
UDC      UDC '"(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMI' non-polymer        45  23 .
UDH      UDH '6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHA' non-polymer        57  32 .
UDM      UDM 'URIDINE-DIPHOSPHATE-METHYLENE-N-ACET' non-polymer        67  39 .
UDP      UDP 'URIDINE-5'-DIPHOSPHATE              ' non-polymer        36  25 .
UDR      UDR '"(E)-S-Methyl 5-(1-(3,7-Dimethyl-2-o' non-polymer        65  36 .
UDS      UDS 'N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]' non-polymer        31  20 .
UDT      UDT 'O-DECYL HYDROGEN THIOCARBONATE      ' non-polymer        36  14 .
UDX      UDX 'URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE ' non-polymer        54  34 .
UEP      UEP '.                                   ' non-polymer        38  23 .
UFG      UFG 'URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLU' non-polymer        57  36 .
UFM      UFM 'URIDINE-5'-DIPHOSPHATE-MANNOSE      ' non-polymer        58  36 .
UFO      UFO '1-(1,4-dimethyl-1,2,3,4-tetrahydroqu' non-polymer        31  14 .
UFP      UFP '5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOS' non-polymer        31  21 .
UFR      UFR '.                                   ' non-polymer        33  22 .
UFT      UFT '.                                   ' DNA                31  21 .
UGA      UGA '.                                   ' non-polymer        56  37 .
UGB      UGB '"(2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)' non-polymer        56  37 .
UHD      UHD '6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOL' non-polymer        48  23 .
UI1      UI1 '6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMI' non-polymer        52  31 .
UI2      UI2 '8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2' non-polymer        33  20 .
UI3      UI3 '7-METHOXY-8-[1-(METHYLSULFONYL)-1H-P' non-polymer        40  24 .
UIB      UIB '(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3' non-polymer        65  33 .
UIN      UIN '5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(' non-polymer        47  23 .
UIP      UIP '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        63  33 .
UIQ      UIQ '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        66  34 .
UIR      UIR '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        64  34 .
UIZ      UIZ '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        70  38 .
UKC      UKC '8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7' non-polymer        40  23 .
UKP      UKP '"[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-' non-polymer        91  43 .
ULA      ULA 'ULAPUALIDE A                        ' non-polymer       129  63 .
ULP      ULP '.                                   ' non-polymer        84  55 .
UM0      UM0 '"(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3' non-polymer        48  25 .
UM1      UM1 '(2R)-2-[[(2R)-2-(2-aminoethanoylamin' non-polymer        29  15 .
UM2      UM2 '(2S)-2-amino-N-butyl-propanamide    ' non-polymer        26  10 .
UM3      UM3 '.                                   ' non-polymer        31  20 .
UMA      UMA 'URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAM' non-polymer        82  49 .
UMF      UMF '.                                   ' non-polymer        31  21 .
UMG      UMG 'METHYL-UMBELLIFERTL-N-ACETYL-CHITOTR' non-polymer       102  55 .
UMP      UMP '.                                   ' non-polymer        31  20 .
UMQ      UMQ 'UNDECYL-MALTOSIDE                   ' non-polymer        78  34 .
UMS      UMS '2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-' DNA                35  22 .
UN1      UN1 '2-AMINOHEXANEDIOIC ACID             ' non-polymer        20  11 .
UN2      UN2 '2-AMINO-4,4-DIHYDROXYBUTANOIC ACID  ' peptide            17   9 .
UN3      UN3 '(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-' non-polymer        28  17 .
UN4      UN4 '5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHY' non-polymer        30  18 .
UN5      UN5 '"{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFO' non-polymer        58  34 .
UN6      UN6 '(3-{[3-(3-SULFOAMINO-PHENYL)-PROPION' non-polymer        47  28 .
UN7      UN7 '"3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOA' non-polymer        54  32 .
UN8      UN8 'N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,' non-polymer        68  40 .
UN9      UN9 'N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-' non-polymer        27  19 .
UNA      UNA 'UNDECANAL                           ' non-polymer        34  12 .
UNB      UNB 'N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDR' non-polymer        62  36 .
UNC      UNC '5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)' non-polymer        16  12 .
UND      UND 'UNDECANE                            ' non-polymer        35  11 .
UNF      UNF '"4-O-(4-deoxy-beta-L-threo-hex-4-eno' non-polymer        38  24 .
UNG      UNG '"4-O-(4-DEOXY-BETA-L-THREO-HEX-4-ENO' non-polymer        38  24 .
UNH      UNH '"({1-[1-CARBAMOYL-PHENYL-METHYL)-CAR' non-polymer       103  49 .
UNI      UNI '"4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,' non-polymer        64  36 .
UNK      UNK 'UNKNOWN                             ' peptide            15   7 .
UNN      UNN '(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-ME' non-polymer        47  28 .
UNT      UNT '"(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3' non-polymer        54  31 .
UNU      UNU 'BENZAMIDE                           ' non-polymer        16   9 .
UNX      UNX 'UNKNOWN ATOM OR ION                 ' non-polymer         1   1 .
UOC      UOC 'undecan-2-one                       ' non-polymer        34  12 .
UP1      UP1 'URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLU' non-polymer        57  36 .
UP3      UP3 '.                                   ' non-polymer        90  60 .
UP5      UP5 'P1-(ADENOSINE-5'-P5-(URIDINE-5')PENT' non-polymer        78  55 .
UP6      UP6 '.                                   ' non-polymer        31  21 .
UPA      UPA 'URIDYLYL-2'-5'-PHOSPHO-ADENOSINE    ' non-polymer        62  39 .
UPF      UPF 'URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLU' non-polymer        57  36 .
UPG      UPG 'URIDINE-5'-DIPHOSPHATE-GLUCOSE      ' non-polymer        58  36 .
UPL      UPL 'UNKNOWN BRANCHED FRAGMENT OF PHOSPHO' non-polymer       104  34 .
UPM      UPM '.                                   ' non-polymer        73  45 .
UPP      UPP 'PHENYL-URIDINE-5'-DIPHOSPHATE       ' non-polymer        47  31 .
UPR      UPR '2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOP' non-polymer        45  29 .
UPS      UPS '2'-deoxy-5'-O-thiophosphonouridine  ' non-polymer        33  20 .
UPU      UPU '.                                   ' non-polymer        59  37 .
UQ1      UQ1 'UBIQUINONE-1                        ' non-polymer        36  18 .
UQ2      UQ2 'UBIQUINONE-2                        ' non-polymer        49  23 .
UQ5      UQ5 '2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19' non-polymer        88  38 .
UQ6      UQ6 '5-(3,7,11,15,19,23-HEXAMETHYL-TETRAC' non-polymer       103  43 .
UQ7      UQ7 'UBIQUINONE-7                        ' non-polymer       114  48 .
UQ8      UQ8 'Ubiquinone-8                        ' non-polymer       127  53 .
UQ       UQ  'Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E' non-polymer       153  63 .
UR2      UR2 '"4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOX' non-polymer        73  39 .
UR3      UR3 '3-METHYLURIDINE-5'-MONOPHOSHATE     ' RNA                35  22 .
URA      URA 'URACIL                              ' non-polymer        12   8 .
URB      URB '5-bromopyrimidine-2,4(1H,3H)-dione  ' non-polymer        12   9 .
URC      URC 'URIC ACID                           ' non-polymer        16  12 .
URD      URD '"1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIH' non-polymer        30  17 .
URE      URE 'UREA                                ' non-polymer         8   4 .
URF      URF '5-FLUOROURACIL                      ' non-polymer        12   9 .
URG      URG '"N-acetyl-D-alanyl-N~5~-[N-(methylca' non-polymer        82  44 .
URI      URI 'URIDINE                             ' non-polymer        29  17 .
URM      URM '.                                   ' non-polymer        61  36 .
URN      URN '5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIO' non-polymer        16  10 .
URO      URO '(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACI' non-polymer        15  10 .
URP      URP 'N-(AMINOCARBONYL)-BETA-ALANINE      ' non-polymer        16   9 .
URS      URS 'N-PHENYLTHIOUREA                    ' non-polymer        18  10 .
URT      URT '"({[(2R,5R)-5-(6-amino-9H-purin-9-yl' non-polymer        33  22 .
US1      US1 '.                                   ' non-polymer        31  20 .
US2      US2 '.                                   ' non-polymer        35  22 .
US3      US3 '1-(2-deoxy-5-O-phosphono-beta-D-eryt' DNA                34  21 .
US4      US4 '"[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-am' non-polymer        66  40 .
US5      US5 '1-(5-O-phosphono-beta-D-ribofuranosy' non-polymer        32  21 .
USM      USM '.                                   ' DNA                35  22 .
USQ      USQ 'SULFOQUINOVOSE-URIDINE-C1,5'-DIPHOSP' non-polymer        61  39 .
UTP      UTP '.                                   ' non-polymer        40  29 .
UVC      UVC 'URIDINE-2',3'-VANADATE              ' non-polymer        33  21 .
UVW      UVW 'ACETYLPHOSPHATE                     ' non-polymer        11   8 .
UZ9      UZ9 '"(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-' non-polymer        85  36 .
V10      V10 'N^6^-[(1R)-2-[(1R)-1-carboxy-2-(meth' non-polymer        44  24 .
V12      V12 '5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMIN' non-polymer        49  29 .
V15      V15 '2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4' non-polymer        29  16 .
V1A      V1A '3-[(2,2,5,5-tetramethyl-1-oxo-2,5-di' non-polymer        35  18 .
V20      V20 'N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHY' non-polymer        44  24 .
V21      V21 '3-methylthiobenzimidazo[1,2-c][1,2,3' non-polymer        26  18 .
V25      V25 '"ethyl 3-[(E)-2-amino-1-cyanoethenyl' non-polymer        35  22 .
V2H      V2H '(1S,3R,5Z,7E,22E)-9,10-secoergosta-5' non-polymer        74  30 .
V35      V35 'D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ET' non-polymer        31  17 .
V36      V36 'L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ET' non-polymer        31  17 .
V4O      V4O 'CYCLO-TETRAMETAVANADATE             ' non-polymer        16  16 .
V55      V55 '4-hydroxy-3-methoxybenzaldehyde     ' non-polymer        19  11 .
V5X      V5X '(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-M' non-polymer        87  46 .
V7O      V7O 'META VANADATE                       ' non-polymer        26  26 .
VA1      VA1 '{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTH' non-polymer        28  18 .
VA3      VA3 'TRIVANADATE                         ' non-polymer        12  11 .
VAA      VAA 'N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUF' non-polymer        54  30 .
VAC      VAC 'N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DI' non-polymer        88  46 .
VA       VA  '(Z)-OCTADEC-11-ENYL ACETATE         ' non-polymer        60  22 .
VAD      VAD 'DEAMINOHYDROXYVALINE                ' non-polymer        17   8 .
VAF      VAF 'METHYLVALINE                        ' non-polymer        21   8 .
VAG      VAG 'VANCOMYCIN AGLYCON                  ' non-polymer       132  80 .
VAK      VAK '"methyl (1R,2R,4S)-2-ethyl-2,4,5,7-t' non-polymer        50  30 .
VAL      VAL 'VALINE                              ' peptide            16   7 .
VAM      VAM 'METHYL 4-O-(4-THIO-BETA-D-GLUCOPYRAN' non-polymer        48  24 .
VAN      VAN 'VANCOMYCIN                          ' non-polymer       177 101 .
VAR      VAR '9-amino-5-(2-aminopyrimidin-4-yl)pyr' non-polymer        33  22 .
VAS      VAS '2,3-DIMETHYL-BUTYRALDEHYDE          ' non-polymer        19   7 .
VAW      VAW '"(2S,3R,4S)-methyl 4-(2-(2-(1H-indol' non-polymer        74  38 .
VAX      VAX '4-EPI-VANCOSAMINYL DERIVATIVE OF VAN' non-polymer       201 111 .
VAZ      VAZ 'N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-h' non-polymer        46  26 .
VB1      VB1 '"N^6^-[(1R)-2-{[(1S)-1-carboxypropyl' non-polymer        44  23 .
VBP      VBP '"4-({3-[(2R)-2-amino-2-carboxyethyl]' non-polymer        37  24 .
VBZ      VBZ '(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxym' non-polymer        41  20 .
VC3      VC3 '3-(4-nitrophenyl)-1H-pyrazole       ' non-polymer        21  14 .
VCA      VCA 'VACCENIC ACID                       ' non-polymer        53  20 .
V        V   'VANADIUM ION                        ' non-polymer         1   1 .
VD1      VD1 '5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-' non-polymer        61  25 .
VD2      VD2 '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        76  30 .
VD3      VD3 '(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-M' non-polymer        72  28 .
VD4      VD4 '(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dim' non-polymer        72  30 .
VD5      VD5 '(1R,3R,7E,17E)-17-(5-hydroxy-1,5-dim' non-polymer        72  30 .
VDA      VDA '(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2' non-polymer        80  34 .
VDB      VDB '(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethy' non-polymer        80  34 .
VDL      VDL '(2R,3R)-2,3-DIAMINOBUTANOIC ACID    ' peptide            17   8 .
VDM      VDM '(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[' non-polymer        48  23 .
VDN      VDN '2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-Y' non-polymer        66  34 .
VDO      VDO '"[(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-' non-polymer        51  27 .
VDX      VDX '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        74  30 .
VDY      VDY '3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        73  29 .
VDZ      VDZ '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        74  30 .
VEA      VEA '5-OXA-PROTOPORPHYRIN IX CONTAINING F' non-polymer        72  43 .
#VER      VER 'IRON-OCTAETHYLPORPHYRIN             ' non-polymer        64  38 .
VG0      VG0 'N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,' non-polymer        87  39 .
VG1      VG1 'ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADA' pyranose           31  20 .
VG2      VG2 '4-(2-aminoethoxy)-N-(3-chloro-5-pipe' non-polymer        56  28 .
VG3      VG3 'N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cycl' non-polymer        85  40 .
VG4      VG4 'N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cycl' non-polymer        86  42 .
VG5      VG5 '?                                   ' N-[(1S,2R)-1-ben   86  41 .
VG6      VG6 'N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-' non-polymer        76  41 .
VG7      VG7 'N-[(1S,2R)-1-benzyl-3-(cyclohexylami' non-polymer        76  36 .
VG8      VG8 '"4-(1,4'-bipiperidin-1'-yl)-7-({5-ch' non-polymer        76  40 .
VG9      VG9 '6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL' non-polymer        51  27 .
VGA      VGA '1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-' non-polymer        46  27 .
VGB      VGB '(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydro' non-polymer        52  26 .
VGC      VGC '6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-TH' non-polymer        44  24 .
VGD      VGD '6-chloro-1H-benzimidazol-2-amine    ' non-polymer        17  11 .
VGF      VGF '1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-B' non-polymer        40  25 .
VGG      VGG '1-tert-butyl-3-(3-methylbenzyl)-1H-p' non-polymer        43  22 .
VGH      VGH '3-[(1R)-1-(2,6-dichloro-3-fluorophen' non-polymer        52  30 .
VGI      VGI '2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL' non-polymer        41  26 .
VGJ      VGJ '(3R,7S,11S)-3,7,11,15-tetramethylhex' non-polymer        61  22 .
VGK      VGK '4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL' non-polymer        47  28 .
VGL      VGL 'PYRAZINE-2-CARBOXYLIC ACID          ' non-polymer        12   9 .
VGM      VGM '4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHE' non-polymer        42  25 .
VGN      VGN '2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOI' non-polymer        41  25 .
VHD      VHD '4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBO' non-polymer        41  22 .
VIA      VIA '5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-' non-polymer        63  33 .
VIB      VIB '3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLME' non-polymer        35  18 .
VI       VI  '1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBO' non-polymer        33  23 .
VIG      VIG '4-AMINO HEXANOIC ACID               ' non-polymer        21   9 .
VII      VII '2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC A' non-polymer        33  23 .
VIN      VIN '12-(2-hydroxyethyl)-2-(1-methylethox' non-polymer        56  32 .
VIO      VIO 'N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE  ' non-polymer        33  14 .
VIR      VIR 'VIRGINIAMYCIN M1                    ' non-polymer        73  38 .
VIT      VIT 'VITAMIN E                           ' non-polymer        81  31 .
VIV      VIV '(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-' non-polymer        81  31 .
VK3      VK3 'MENADIONE                           ' non-polymer        21  13 .
VLB      VLB '(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-V' non-polymer       117  59 .
VLL      VLL '(2S)-2,3-DIAMINOBUTANOIC ACID       ' peptide            17   8 .
VLM      VLM 'VALINYLAMINE                        ' non-polymer        20   8 .
VM1      VM1 '5-(2-thienyl)nicotinic acid         ' non-polymer        20  14 .
VME      VME 'METHYL L-VALINATE                   ' non-polymer        22   9 .
VMS      VMS '5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE' non-polymer        53  30 .
VMX      VMX '5'-{[(3-aminopropyl)sulfonyl]amino}-' non-polymer        47  26 .
VN4      VN4 'oxido(dioxo)vanadium                ' non-polymer         4   4 .
VNF      VNF '4'-chloro-N-[(1R)-2-(1H-imidazol-1-y' non-polymer        49  29 .
VNI      VNI 'N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H' non-polymer        54  35 .
VNL      VNL '4-HYDROXY-3-METHOXYBENZOATE         ' non-polymer        19  12 .
VNP      VNP '3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        46  26 .
VO3      VO3 'TETRAMETAVANADATE                   ' non-polymer        17  17 .
VO4      VO4 'VANADATE ION                        ' non-polymer         5   5 .
VOL      VOL 'L-VALINOL                           ' non-polymer        20   7 .
VOR      VOR '(2R,3S)-2-(2,4-difluorophenyl)-3-(5-' non-polymer        39  25 .
VPR      VPR '2-PROPYLPENTANAMIDE                 ' non-polymer        27  10 .
VPU      VPU '"[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hy' non-polymer        53  28 .
VR1      VR1 '(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)ME' non-polymer        57  38 .
VRA      VRA 'N-{3,4-difluoro-2-[(2-fluoro-4-iodop' non-polymer        51  31 .
VRG      VRG '"N~2~-acetyl-N~5~-[N-(methylcarbamoy' non-polymer        72  39 .
VRS      VRS 'VIRGINIAMYCIN S1                    ' non-polymer       109  60 .
VRV      VRV '6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-' non-polymer        34  23 .
VRX      VRX '"(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)MET' non-polymer        40  26 .
VS1      VS1 '"3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PH' non-polymer        77  40 .
VS2      VS2 '3-[N-[BENZYLOXYCARBONYL]-PHENYLALANI' non-polymer        81  43 .
VS3      VS3 '"3-[N-[BENZYLOXYCARBONYL]-PHENYLALAN' non-polymer        81  46 .
VS4      VS4 '"3-[[N-[4-METHYL-PIPERAZINYL]CARBONY' non-polymer        87  44 .
VSC      VSC '.                                   ' non-polymer        79  43 .
VSO      VSO 'VINYLSULPHONIC ACID                 ' non-polymer        10   6 .
VSV      VSV '"N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIA' non-polymer        53  34 .
VTQ      VTQ 'RRR-ALPHA-TOCOPHERYLQUINONE         ' non-polymer        82  32 .
VX1      VX1 '4-[3-(4-chlorophenyl)-2,1-benzisoxaz' non-polymer        34  23 .
VX2      VX2 'N-cyclohexyl-3-[3-(trifluoromethyl)p' non-polymer        44  26 .
VX3      VX3 '2,3-diphenyl-1H-indole-7-carboxylic ' non-polymer        38  24 .
VX6      VX6 '"CYCLOPROPANECARBOXYLIC ACID {4-[4-(' non-polymer        61  33 .
VXA      VXA 'METHYLPHOSPHONIC ACID ESTER GROUP   ' non-polymer         8   4 .
VX       VX  'O-ETHYLMETHYLPHOSPHONIC ACID ESTER G' non-polymer        16   7 .
VXR      VXR '(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-' non-polymer        43  28 .
VXX      VXX 'VANILLATE                           ' non-polymer        23  13 .
VZZ      VZZ '11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC' non-polymer        38  17 .
W01      W01 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        45  24 .
W02      W02 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        45  24 .
W03      W03 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        46  24 .
W05      W05 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        41  22 .
W11      W11 '3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXA' non-polymer        45  27 .
W22      W22 '[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahy' non-polymer        30  17 .
W29      W29 '4-(3-ethylthiophen-2-yl)benzene-1,2-' non-polymer        27  15 .
W2X      W2X 'N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-' non-polymer        48  26 .
W33      W33 '5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZ' non-polymer        45  24 .
W35      W35 '5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENO' non-polymer        45  23 .
W37      W37 'N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-' non-polymer        58  29 .
W42      W42 '"5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2' non-polymer        57  31 .
W43      W43 '"5-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-' non-polymer        54  27 .
W54      W54 '5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-' non-polymer        45  25 .
W56      W56 '5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL' non-polymer        48  24 .
W59      W59 '5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHE' non-polymer        57  27 .
W71      W71 '5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHEN' non-polymer        51  25 .
W72      W72 '"6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY' non-polymer        41  21 .
W84      W84 '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer        54  26 .
W8R      W8R '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer        54  26 .
W91      W91 '"5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2' non-polymer        39  23 .
WAC      WAC 'N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-hex' non-polymer        57  28 .
WAI      WAI '4-{2-[4-(2-AMINOETHYL)PIPERAZIN-1-YL' non-polymer        56  30 .
WAN      WAN '5-ethoxy-4-(1-methyl-7-oxo-3-propyl-' non-polymer        45  26 .
WAY      WAY 'N-HYDROXY-2-[(4-METHOXY-BENZENESULFO' non-polymer        51  30 .
WBT      WBT '3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PY' non-polymer        58  33 .
WBU      WBU '5-AMINO-1H-PYRIMIDINE-2,4-DIONE     ' non-polymer        14   9 .
WCC      WCC 'FE(3)-NI(1)-S(4) CLUSTER            ' non-polymer        12   8 .
W        W   'TUNGSTEN ION                        ' non-polymer         1   1 .
WFE      WFE 'N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrro' non-polymer        51  29 .
WFP      WFP '3,5-difluoro-L-phenylalanine        ' peptide            22  14 .
WH6      WH6 '"2-[(1R)-2-carboxy-1-(naphthalen-1-y' non-polymer        45  30 .
WI2      WI2 '1-[3-amino-6-(3-methoxyphenyl)pyrazi' non-polymer        43  24 .
WIA      WIA 'METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO' non-polymer        25  13 .
WIN      WIN '"methyl (5beta,7alpha,9beta,10alpha,' non-polymer        75  39 .
WO2      WO2 'OCTADECATUNGSTENYL DIPHOSPHATE      ' non-polymer       100  82 .
WO3      WO3 'TRI-TUNGSTEN(VI) OXIDE COMPLEX      ' non-polymer        16  16 .
WO4      WO4 'TUNGSTATE(VI)ION                    ' non-polymer         5   5 .
WO5      WO5 'TUNGSTATE(VI) ION                   ' non-polymer        11   6 .
WO6      WO6 'trioxido(oxo)tungsten               ' non-polymer         5   5 .
WOE      WOE '4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDI' non-polymer        26  16 .
WOW      WOW '2-chloro-4-{(2-methylbenzyl)[(3S)-1-' non-polymer        49  27 .
WP5      WP5 'METHYL [(4S)-6-BROMO-2-METHYL-4-PHEN' non-polymer        40  23 .
WP6      WP6 '(4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PH' non-polymer        44  25 .
WP7      WP7 '(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCAR' non-polymer        60  33 .
WPE      WPE 'N-{2-[(4S)-6-CHLORO-2-METHYL-4-PHENY' non-polymer        48  28 .
WPF      WPF '3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHY' non-polymer        51  25 .
WQP      WQP '5-(ACETYLAMINO)-3,5-DIDEOXY-2-O-PHOS' non-polymer        44  25 .
WR1      WR1 'NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)' non-polymer        55  29 .
WR2      WR2 '(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(M' non-polymer        64  31 .
WRA      WRA '6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPH' non-polymer        42  24 .
WRB      WRB '1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-' non-polymer        42  22 .
WRG      WRG '"(2S)-2-[[(2S)-2-acetamido-5-[[N-(me' non-polymer        60  31 .
WRR      WRR '4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHE' non-polymer        41  23 .
WRS      WRS '4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHE' non-polymer        41  23 .
WSA      WSA '5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]AD' non-polymer        61  37 .
WSK      WSK '(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL' non-polymer        40  22 .
WST      WST '(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2' non-polymer        39  21 .
WTC      WTC '6-benzyl-1-cyclopentyl-1,5-dihydro-4' non-polymer        40  22 .
WTI      WTI '4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-' non-polymer        40  25 .
WTJ      WTJ '2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][' non-polymer        44  24 .
WW2      WW2 'cyclohexyl (S)-methylphosphonofluori' non-polymer        25  11 .
WW7      WW7 'N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHAL' non-polymer        43  22 .
WW8      WW8 '"N-[(3S)-1-({6-chloro-3-[1-(4-chloro' non-polymer        82  44 .
WWF      WWF 'C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN ' non-polymer        58  32 .
WXV      WXV 'N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)P' non-polymer        52  29 .
WY2      WY2 '"(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZ' non-polymer        35  24 .
WY4      WY4 '"7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,' non-polymer        33  21 .
WYE      WYE '(2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4' non-polymer        52  30 .
WYF      WYF '(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2' non-polymer        46  28 .
WZ1      WZ1 'methyl 3-S-alpha-D-mannopyranosyl-3-' non-polymer        48  24 .
WZ2      WZ2 '"methyl alpha-D-mannopyranosyl-(1->3' non-polymer        69  35 .
WZ3      WZ3 '"methyl alpha-D-mannopyranosyl-(1->3' non-polymer        69  35 .
WZ4      WZ4 '"methyl 2-(acetylamino)-2-deoxy-beta' non-polymer       117  60 .
WZ5      WZ5 '"methyl 2-(acetylamino)-2-deoxy-beta' non-polymer       117  60 .
WZA      WZA '(9BETA,14BETA,17BETA)-17-HYDROXY-2-M' non-polymer        53  26 .
WZB      WZB '"(9BETA,13ALPHA,14BETA,17ALPHA)-2-ET' non-polymer        60  30 .
WZC      WZC '"(13ALPHA,14BETA,17ALPHA)-3-HYDROXY-' non-polymer        53  26 .
X04      X04 '(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYL' non-polymer        26  17 .
X05      X05 'AMINO-CASTANOSPERMINE               ' non-polymer        29  13 .
X09      X09 'AMINO-AUSTRALINE                    ' non-polymer        29  13 .
X0J      X0J '4-[4-(biphenyl-3-ylmethyl)piperazin-' non-polymer       101  55 .
X0T      X0T '7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIM' non-polymer        32  18 .
X0U      X0U '6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]B' non-polymer        22  14 .
X0V      X0V '4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMI' non-polymer        19  12 .
X0W      X0W '5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIA' non-polymer        25  14 .
X12      X12 '.                                   ' non-polymer       304 152 .
X13      X13 'N,N,N-trimethyl-13-[(methylsulfonyl)' non-polymer        60  22 .
X17      X17 '(5S)-2-amino-5-(4-methoxy-3-methylph' non-polymer        56  27 .
X1E      X1E '"(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-O' non-polymer        25  14 .
X1H      X1H '[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BEN' non-polymer        43  27 .
X1N      X1N '2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,' non-polymer        37  24 .
X1P      X1P '1-O-PHOSPHONO-ALPHA-D-XYLOPYRANOSE  ' non-polymer        23  14 .
X1R      X1R '3-(PROPYLSULFONYL)PROPANOIC ACID    ' non-polymer        22  11 .
X1S      X1S '3-SULFOPROPANOIC ACID               ' non-polymer        14   9 .
X22      X22 '(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutan' non-polymer        72  36 .
X23      X23 '(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutan' non-polymer        73  36 .
X2F      X2F '2-DEOXY-2-FLUORO XYLOPYRANOSE       ' pyranose           19  10 .
X2K      X2K '(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyr' non-polymer        34  19 .
X2L      X2L '(3Z)-5-AMINO-3-[(4-METHOXYPHENYL)MET' non-polymer        34  20 .
X2M      X2M '(3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL' non-polymer        32  18 .
X2N      X2N 'POSACONAZOLE                        ' non-polymer        93  51 .
X2W      X2W 'N-ACETYL-L-GLUTAMYL 5-PHOSPHATE     ' non-polymer        26  17 .
X37      X37 '4-(4-tert-butylbenzyl)-1-(7H-pyrrolo' non-polymer        57  27 .
X39      X39 '4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYR' non-polymer        48  27 .
X41      X41 '1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCER' non-polymer        97  40 .
X45      X45 '(5S)-2-amino-5-(4-methoxy-3-methylph' non-polymer        51  29 .
X4A      X4A '[(2R,3S,5S)-2,3,5-TRIHYDROXYTETRAHYD' DNA                23  14 .
X4S      X4S 'beta-D-xylopyranosyl-(1->4)-4-thio-b' non-polymer        71  37 .
X4Z      X4Z '(3E)-N-[(1S)-2-(DIMETHYLAMINO)-1-PHE' non-polymer        63  35 .
X55      X55 '(2R)-3-benzyl-2-(2-bromo-4-hydroxy-5' non-polymer        39  23 .
X5S      X5S 'beta-D-xylopyranosyl-(1->4)-4-thio-b' non-polymer        88  46 .
X6D      X6D '6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZ' non-polymer        67  37 .
X6K      X6K '3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]' non-polymer        42  26 .
X7E      X7E '(4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYD' non-polymer        44  26 .
X7O      X7O '5-AMINO-3-METHYL-PYRROLIDINE-2-CARBO' non-polymer        21  10 .
X81      X81 '1-STEAROYL-2-OLEOYL-SN-GLYCERO-3-PHO' non-polymer       121  48 .
X8D      X8D '5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOL' non-polymer        24  15 .
X8E      X8E '5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZO' non-polymer        33  21 .
X8I      X8I '7-(3-hydroxyphenyl)-5-methyl[1,2,4]t' non-polymer        35  22 .
X8Z      X8Z 'L-CAPTOPRIL                         ' non-polymer        28  14 .
X92      X92 'RAMIPRILAT                          ' non-polymer        54  28 .
X93      X93 'TRANDOLAPRILAT                      ' non-polymer        57  29 .
X94      X94 'PERINDOPRILAT                       ' non-polymer        50  24 .
X95      X95 '(S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-' non-polymer        68  36 .
X97      X97 '"3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-yl' non-polymer        68  36 .
X98      X98 '"1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-yl' non-polymer        61  33 .
X99      X99 '2-{3-[(2S)-4,4-difluoro-2-(pyrrolidi' non-polymer        50  29 .
X9A      X9A '.                                   ' non-polymer       118  59 .
X9F      X9F 'N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYL' non-polymer        43  27 .
X9Q      X9Q '"{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZY' non-polymer        36  20 .
XAA      XAA '(1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)' non-polymer        20  10 .
XAD      XAD '9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-' non-polymer        37  23 .
XAE      XAE '"3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                40  26 .
XAH      XAH '5'-O-{(R)-hydroxy[(L-lysylamino)oxy]' non-polymer        59  33 .
XAL      XAL '"[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-9-Y' DNA                37  23 .
XAN      XAN 'XANTHINE                            ' non-polymer        15  11 .
XAO      XAO 'CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-MET' non-polymer        46  17 .
XAP      XAP '3-AMINOOXY-1-AMINOPROPANE           ' non-polymer        16   6 .
XAR      XAR '"[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-9-Y' non-polymer        37  23 .
XAT      XAT '.                                   ' non-polymer       100  44 .
XAV      XAV '2-[4-(trifluoromethyl)phenyl]-7,8-di' non-polymer        32  21 .
XBB      XBB '(3S)-2,3,4,5-TETRAHYDROPYRIDIN-3-AMI' non-polymer        17   7 .
XBK      XBK '4,5-DE-EPOXYPIMARICIN               ' non-polymer        92  46 .
XBP      XBP 'XYLULOSE-1,5-BISPHOSPHATE           ' non-polymer        26  18 .
XBT      XBT '2-[(1R)-1-methylpropyl]-4,5-dihydro-' non-polymer        22   9 .
XBV      XBV '"(3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRR' non-polymer        57  36 .
XC2      XC2 '"(3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-Y' non-polymer        61  34 .
XCC      XCC 'FE(4)-NI(1)-S(4) CLUSTER            ' non-polymer        12   9 .
XCF      XCF '5-[[(2R)-2-cyclopropyl-7,8-dimethoxy' non-polymer        48  26 .
XCG      XCG '2-(2-BENZOFURANYL)-2-IMIDAZOLINE    ' non-polymer        22  14 .
X        X   '.                                   ' DNA                72  47 .
XCL      XCL '"[(1S,4R,6R)-6-HYDROXY-4-(CYTOSIN-9-' DNA                35  21 .
XCP      XCP '(1S,2S)-2-aminocyclopentanecarboxyli' non-polymer        19   9 .
XCS      XCS '"(1R)-1-(4-AMINO-6-METHYL-2-OXO-1,2-' DNA                41  25 .
XCT      XCT '"4-AMINO-1-(2,3-DIDEOXY-6-O-PHOSPHON' non-polymer        35  21 .
XCY      XCY '"{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO' DNA                50  29 .
XD6      XD6 '"(5Z)-13-CHLORO-14,16-DIHYDROXY-1,11' non-polymer        44  25 .
XDK      XDK '2-AMINO-4-PYRIDYL-PYRIMIDINE        ' non-polymer        21  13 .
XDL      XDL 'XYLOSE-DERIVED ISOFAGOMINE LACTAM   ' non-polymer        17   8 .
XDN      XDN 'PIPERIDINE-3,4,5-TRIOL              ' non-polymer        20   9 .
XDP      XDP 'D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE' non-polymer        29  19 .
XDR      XDR '"hexyl (5S,6R,8R)-6-hydroxy-5-methyl' non-polymer        69  40 .
XE4      XE4 '"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-' non-polymer        63  29 .
XE       XE  'XENON                               ' non-polymer         1   1 .
XED      XED 'DEXTROFLOXACINE                     ' non-polymer        45  26 .
XEZ      XEZ '6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-' non-polymer        28  19 .
XFE      XFE '(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]py' non-polymer        31  16 .
XFI      XFI '"N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAM' non-polymer        85  43 .
XG4      XG4 '"2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hyd' non-polymer        46  31 .
XGA      XGA '"6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-BE' DNA                41  27 .
XGL      XGL '"[(1S,4R,6R)-6-HYDROXY-4-(GUANIN-9-Y' DNA                38  24 .
XGP      XGP '1-O-phosphono-beta-D-glucopyranose  ' non-polymer        27  16 .
XGU      XGU '"2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHON' non-polymer        38  24 .
XHP      XHP 2-amino-6-methylidene-6,7-dihydropte   .                  20  13 .
XI2      XI2 '6-(2,4-difluorophenoxy)-N-[(1R)-1-me' non-polymer        41  26 .
XI7      XI7 '2-4-DIOXO-4-PHENYLBUTANOIC ACID     ' non-polymer        21  14 .
XIF      XIF 'PIPERIDINE-3,4-DIOL                 ' non-polymer        19   8 .
XIG      XIG '.                                   ' non-polymer        69  43 .
XIH      XIH '2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1' non-polymer        52  29 .
XIL      XIL '3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAH' non-polymer        35  18 .
XIM      XIM '5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYR' non-polymer        22  12 .
XIN      XIN '"methyl (3Z)-3-{[(4-{methyl[(4-methy' non-polymer        73  40 .
XJG      XJG '1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-' non-polymer        44  23 .
XJH      XJH '6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrr' non-polymer        50  27 .
XJX      XJX '(2,4-DIHYDROXY-5-PROPAN-2-YL-PHENYL)' non-polymer        59  30 .
XK2      XK2 '[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEX' non-polymer        84  46 .
XK3      XK3 '4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)P' non-polymer        43  23 .
XL3      XL3 'propane-1-thiol                     ' non-polymer        12   4 .
XLC      XLC '3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPH' non-polymer        57  34 .
XLD      XLD '3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2' non-polymer        56  36 .
XLF      XLF 'beta-D-xylulofuranose               ' non-polymer        20  10 .
XLI      XLI '"N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(' non-polymer        89  37 .
XLM      XLM 'METHYL 3-O-BETA-D-XYLOPYRANOSYL-ALPH' non-polymer        44  22 .
XLS      XLS 'D-XYLOSE (LINEAR FORM)              ' non-polymer        20  10 .
XM1      XM1 '(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(' non-polymer        51  28 .
XM5      XM5 '6-methoxy-9-methyl[1,3]dioxolo[4,5-h' non-polymer        28  17 .
XMA      XMA '"(-)-7-[(6-CHLORO-2-NAPHTHALENYL)SUL' non-polymer        67  38 .
XMB      XMB '4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL' non-polymer        75  41 .
XMC      XMC '4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULF' non-polymer        76  42 .
XMD      XMD '"(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SU' non-polymer        70  39 .
XME      XME '4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL' non-polymer        65  37 .
XMF      XMF '4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL' non-polymer        65  36 .
XMG      XMG '"4-[(6-CHLORO-2-NAPHTHALENYL)SULFONY' non-polymer        64  36 .
XMH      XMH '"4-[(6-CHLORO-2-NAPHTHALENYL)SULFONY' non-polymer        71  38 .
XMI      XMI '4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL' non-polymer        61  34 .
XMJ      XMJ '4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]S' non-polymer        59  32 .
XMK      XMK '1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]S' non-polymer        60  31 .
XMM      XMM '(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO' pyranose           38  23 .
XMP      XMP 'XANTHOSINE-5'-MONOPHOSPHATE         ' non-polymer        36  24 .
XN1      XN1 'N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIA' non-polymer        95  46 .
XN2      XN2 'N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIA' non-polymer        99  49 .
XN3      XN3 '"N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2' non-polymer        96  48 .
XNC      XNC '"(11S)-11-[4-(benzyloxy)-2-fluorophe' non-polymer        76  44 .
XND      XND '(11R)-10-acetyl-11-(2,4-dichlorophen' non-polymer        52  30 .
XNI      XNI '(11S)-10-acetyl-11-[4-(benzyloxy)-3-' non-polymer        65  36 .
XNW      XNW '"(1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4' non-polymer        39  22 .
XNZ      XNZ '(11R)-10-acetyl-11-[4-(benzyloxy)-2-' non-polymer        66  37 .
XP1      XP1 '4-(DIMETHYLAMINO)BENZOIC ACID       ' non-polymer        22  12 .
XP4      XP4 '1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHA' non-polymer        99  40 .
XP8      XP8 'O-phosphono-N-(8-sulfanyloctanoyl)-L' non-polymer        43  22 .
XP9      XP9 'O-phosphono-N-(9-sulfanylnonanoyl)-L' non-polymer        46  23 .
XPA      XPA '1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHAT' non-polymer        75  32 .
XPC      XPC '(3S,4R)-4-aminopyrrolidine-3-carboxy' non-polymer        18   9 .
XPE      XPE '3,6,9,12,15,18,21,24,27-NONAOXANONAC' non-polymer        73  31 .
XPX      XPX '"(2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4' non-polymer       175  77 .
XR2      XR2 '1-METHYL-9-[12-(9-METHYLPHENAZIN-10-' non-polymer        82  44 .
XRG      XRG '1-methyl-3-(N-methylcarbamimidoyl)ur' non-polymer        19   9 .
XS2      XS2 'METHYL4,4II,4III,4IV-TETRATHIO-BETA-' non-polymer        91  47 .
XT1      XT1 '.                                   ' non-polymer       127  58 .
XT2      XT2 '.                                   ' non-polymer       124  57 .
XTG      XTG '4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYL' non-polymer        53  30 .
XTH      XTH '"1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D' non-polymer        37  22 .
XTL      XTL '"[(1S,4R,6R)-6-HYDROXY-4-(THYMIN-9-Y' DNA                37  22 .
XTN      XTN '2-amino-1,5-dihydropteridine-4,6-dio' non-polymer        18  13 .
XTR      XTR '"[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2' DNA                37  22 .
XTS      XTS '"9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(H' non-polymer        32  20 .
XTY      XTY '"(1R)-1,4-ANHYDRO-2-DEOXY-1-(6-METHY' DNA                40  25 .
XUA      XUA '.                                   ' DNA                38  24 .
XUG      XUG '.                                   ' DNA                39  25 .
XUL      XUL 'D-XYLULOSE                          ' non-polymer        20  10 .
XV1      XV1 '7-(2-fluorobenzyl)quinolin-8-ol     ' non-polymer        31  19 .
XV6      XV6 '.                                   ' non-polymer        92  54 .
XX1      XX1 'N~6~-7H-PURIN-6-YL-L-LYSINE         ' peptide            34  19 .
XX2      XX2 '1-KETO,2-HYDROXY,4-NITROBENZENE, 1 E' non-polymer        16  11 .
XX3      XX3 '(1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-' non-polymer        18  13 .
XX4      XX4 '3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)' non-polymer        61  31 .
XX5      XX5 '"(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLO' non-polymer        49  28 .
XX6      XX6 '2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLO' non-polymer        48  25 .
XX7      XX7 '2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLO' non-polymer        48  25 .
XXG      XXG '3,3-dihydroxy-4-oxocyclohexa-1,5-die' non-polymer        19  13 .
XXP      XXP '2-KETO,5-NITRO,6-HYDROXY-3,5-HEXADIE' non-polymer        17  13 .
XXX      XXX '(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)' non-polymer        48  22 .
XXY      XXY '"2-[(1R,2R)-1-amino-2-hydroxypropyl]' non-polymer        36  21 .
XXZ      XXZ '"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUOR' non-polymer        49  27 .
XY2      XY2 'N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITRO' non-polymer        36  21 .
XYA      XYA '2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-H' non-polymer        32  19 .
XYD      XYD '2,5-DIMETHYLANILINE                 ' non-polymer        20   9 .
XYF      XYF '5(R)-5-FLUORO-BETA-D-XYLOPYRANOSYL-E' non-polymer        19  11 .
XYG      XYG '"[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HY' non-polymer        33  21 .
XYH      XYH 'XYLAROHYDROXAMATE                   ' non-polymer        21  13 .
XYL      XYL 'D-XYLITOL                           ' non-polymer        22  10 .
XYP      XYP 'BETA-D-XYLOPYRANOSE                 ' non-polymer        20  10 .
XYQ      XYQ '.                                   ' non-polymer        62  39 .
XYS      XYS 'XYLOPYRANOSE                        ' pyranose           20  10 .
XYZ      XYZ 'BETA-D-XYLOFURANOSE                 ' non-polymer        20  10 .
Y11      Y11 'N-[(1S)-2-[(4-cyano-1-methylpiperidi' non-polymer        64  29 .
Y12      Y12 '4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMIN' non-polymer        48  27 .
Y13      Y13 '(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4' non-polymer        39  22 .
Y14      Y14 'N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyr' non-polymer        71  34 .
Y15      Y15 'N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cya' non-polymer        69  33 .
Y19      Y19 '1-deoxy-1-{[(5S)-2,6-dioxo-5-(propan' non-polymer        43  23 .
Y1       Y1  'YTTRIUM ION                         ' non-polymer         1   1 .
Y27      Y27 '(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRI' non-polymer        39  18 .
Y28      Y28 'O-benzyl-N-(carboxycarbonyl)-D-tyros' non-polymer        40  25 .
Y3       Y3  '4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2' non-polymer        34  23 .
Y8L      Y8L '"3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZI' non-polymer        49  27 .
YAK      YAK 'N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4' non-polymer        59  36 .
YAM      YAM 'N-methyl-N-{3-[({2-[(2-oxo-2,3-dihyd' non-polymer        55  35 .
YAN      YAN '1,2-DICHLOROBENZENE                 ' non-polymer        12   8 .
YB2      YB2 'YTTERBIUM (II) ION                  ' non-polymer         1   1 .
YB       YB  'YTTERBIUM (III) ION                 ' non-polymer         1   1 .
YBH      YBH '"4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-' non-polymer        67  40 .
YBT      YBT 'BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDRO' non-polymer        34  15 .
YBY      YBY 'N-{[(1S)-1-carboxy-2-(4-hydroxy-3-io' non-polymer        40  26 .
YC2      YC2 '"N-{[(1S)-1-carboxy-5-{[(4-iodopheny' non-polymer        52  31 .
Y        Y   '.                                   ' DNA                51  31 .
YCM      YCM 'S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE   ' peptide            20  11 .
YCP      YCP '(2S)-piperidine-2-carboxylic acid   ' non-polymer        19   9 .
YDP      YDP '(3S,4S),-3,4-Bis-[(4-carbamoyl-benze' non-polymer        78  41 .
YE1      YE1 '.                                   ' non-polymer        98  59 .
YE6      YE6 '5-(2-chlorophenyl)furan-2-carbohydra' non-polymer        25  16 .
YE7      YE7 'IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHY' non-polymer        27  17 .
YEN      YEN '"N-{(2S)-4-(methylamino)-4-oxo-2-[4-' non-polymer        65  38 .
YES      YES '3-(2-hydroxyethyl)-2,2-bis(hydroxyme' non-polymer        34  14 .
YET      YET '1-cyano-2-(2-methyl-1-benzofuran-5-y' non-polymer        60  32 .
YF3      YF3 '2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)' non-polymer        30  14 .
YF4      YF4 '5-{[ETHYL(METHYL)AMINO]METHYL}-2-MET' non-polymer        29  13 .
YG       YG  'WYBUTOSINE                          ' RNA                67  40 .
YHO      YHO '(1S,2S,3R,4R)-4-aminocyclopentane-1,' non-polymer        20   9 .
YIN      YIN '(6R,7S)-6,7-bis(4-bromophenyl)-7,11-' non-polymer        47  31 .
YLL      YLL '(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL' non-polymer        27  13 .
YLY      YLY '"(2R)-2-AMINO-6-({[(2S,3R)-3-METHYLP' non-polymer        74  40 .
YM4      YM4 '6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL' non-polymer        67  36 .
YMA      YMA '7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOX' non-polymer        63  33 .
YML      YML '[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-T' non-polymer        40  17 .
YMP      YMP 'O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)P' non-polymer        59  35 .
YNM      YNM 'N-METHYL-L-TYROSINE                 ' non-polymer        26  14 .
YOF      YOF '3-FLUOROTYROSINE                    ' peptide            23  14 .
YOK      YOK '"[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLEN' non-polymer        47  30 .
YOL      YOL '"[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(' non-polymer        41  28 .
YOM      YOM '2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYL' non-polymer        39  25 .
YPA      YPA '(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PH' non-polymer        54  30 .
YR1      YR1 '"2-hydroxy-5-[(5S)-3-hydroxy-5-(4-ni' non-polymer        49  34 .
YR3      YR3 '(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hyd' non-polymer        75  33 .
YRG      YRG '(2S)-2-(4-chlorophenoxy)-3-phenylpro' non-polymer        31  19 .
YRR      YRR '3-HYDROXY-PYRROLIDIN-2-YLMETHYL-MONO' DNA                22  12 .
YSA      YSA '5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSI' non-polymer        58  35 .
YSH      YSH '1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1' non-polymer        38  22 .
YT3      YT3 'YTTRIUM (III) ION                   ' non-polymer         1   1 .
YTB      YTB '(1R,2R,3S,4R,5R)-5-aminocyclopentane' non-polymer        21  10 .
YTT      YTT '(3S,6S)-3,6-bis(4-hydroxybenzyl)pipe' non-polymer        42  24 .
YVN      YVN 'N-({(1R,2R,3S)-2-(methylcarbamoyl)-3' non-polymer        64  36 .
YVQ      YVQ '3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL' non-polymer        35  23 .
YX0      YX0 '"[(3E)-3-(1-hydroxyethylidene)-2,3-d' non-polymer        39  20 .
YX1      YX1 '2-deoxy-2-{[(2-hydroxy-1-methylhydra' non-polymer        35  18 .
YYG      YYG '"4-(3-[5-O-PHOSPHONORIBOFURANOSYL]-4' RNA                67  40 .
YYY      YYY 'DEOXYCYTIDINE DIPHOSPHATE           ' non-polymer        36  24 .
YZ9      YZ9 '7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLI' non-polymer        27  17 .
YZE      YZE 'N~2~-{[(1S)-1-carboxybut-3-en-1-yl]c' non-polymer        51  29 .
Z12      Z12 '2,4-dichloro-N-[3,5-dichloro-4-(quin' non-polymer        43  31 .
Z22      Z22 'S-methyl methanesulfonothioate      ' non-polymer        12   6 .
Z23      Z23 'DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-' non-polymer        48  29 .
Z27      Z27 '2-chloro-N-{3-chloro-4-[(5-chloro-1,' non-polymer        43  33 .
Z34      Z34 'N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDRO' non-polymer        61  38 .
Z48      Z48 'N-[(1S)-2-hydroxy-1-phenylethyl]-4-[' non-polymer        54  31 .
Z59      Z59 '(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-' non-polymer        48  26 .
Z5A      Z5A 'P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-D' non-polymer        81  57 .
Z64      Z64 'N-[4-(5-furan-2-yl-3-methyl-1H-pyraz' non-polymer        47  26 .
Z69      Z69 '.                                   ' non-polymer       237  97 .
Z70      Z70 '(2S)-2-amino-4-(2-amino-1H-imidazol-' peptide            24  13 .
Z72      Z72 '8-(cyclopentyloxy)-4-[(3,5-dichlorop' non-polymer        46  28 .
Z73      Z73 '2-methoxy-6,7-dimethyl-9-propylimida' non-polymer        38  20 .
Z74      Z74 '"N'-{(1S,2S)-1-(3,5-difluorobenzyl)-' non-polymer        88  46 .
Z75      Z75 '"N'-[(1S,2S)-2-[(2R)-4-benzylpiperaz' non-polymer        88  44 .
Z76      Z76 'N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-' non-polymer        90  48 .
Z77      Z77 '1-[(6,7-dimethyl-2-oxo-1,2-dihydroqu' non-polymer        54  29 .
Z78      Z78 '3-(2-fluorophenyl)-1-(2-hydroxyethyl' non-polymer        47  27 .
Z79      Z79 'N-hydroxy-N~2~-[(4-methoxyphenyl)sul' non-polymer        29  17 .
Z81      Z81 '"(5S)-2-amino-5-(2',5'-difluorobiphe' non-polymer        44  28 .
Z82      Z82 '4-bromobenzoic acid                 ' non-polymer        14  10 .
Z88      Z88 'N-[(4-bromophenyl)sulfonyl]acetamide' non-polymer        22  14 .
Z89      Z89 '"(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-d' non-polymer        33  26 .
Z90      Z90 '"4-({(4-carboxybutyl)[2-(2-{[4-(2-ph' non-polymer        79  42 .
Z92      Z92 '(4E)-4-[(4-chlorophenyl)hydrazono]-5' non-polymer        40  25 .
Z94      Z94 'N-{4-[(4S)-2,5-dioxoimidazolidin-4-y' non-polymer        28  17 .
Z96      Z96 '"tert-butyl 4-{(11S)-8-chloro-6-[(R)' non-polymer        69  37 .
Z97      Z97 '(E)-N~5~-({3-hydroxy-2-methyl-5-[(ph' non-polymer        41  24 .
Z98      Z98 '"(2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-' non-polymer        38  23 .
Z99      Z99 '2-[(1S,2S)-2-carboxycyclopropyl]-3-(' non-polymer        43  26 .
ZAA      ZAA '"(5-{3-[2-(5-methyl-2-phenyl-1,3-oxa' non-polymer        62  37 .
ZAB      ZAB '(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZE' non-polymer        34  20 .
ZAD      ZAD '(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENI' non-polymer        29  19 .
ZAE      ZAE 'N-methyl-D-phenylalanine            ' non-polymer        25  13 .
ZAF      ZAF '"O-(((1R)-((N-PHENYLMETHOXYCARBONYL-' non-polymer        59  33 .
ZAH      ZAH 'N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-P' non-polymer        42  23 .
ZAL      ZAL '3-cyclohexyl-D-alanine              ' peptide            28  12 .
ZAM      ZAM '3-[(ACETYL-METHYL-AMINO)-METHYL]-4-A' non-polymer        54  28 .
ZAP      ZAP '[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDI' non-polymer        43  25 .
ZAR      ZAR '6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENY' non-polymer        29  19 .
ZAT      ZAT '4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYL' non-polymer        54  30 .
ZBA      ZBA '12,13-Epoxytrichothec-9-ene-3,4,8,15' non-polymer        65  33 .
ZBC      ZBC '"(2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMI' non-polymer        27  18 .
ZBT      ZBT '2-[(1S)-1-methylpropyl]-4,5-dihydro-' non-polymer        22   9 .
Z        Z   '1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' DNA                30  19 .
ZCT      ZCT '.                                   ' non-polymer        70  46 .
ZCY      ZCY '(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOS' non-polymer        27  17 .
ZD6      ZD6 '4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7' non-polymer        54  30 .
ZDP      ZDP '(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANED' non-polymer        28  14 .
ZDR      ZDR '(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANED' non-polymer        28  14 .
ZDU      ZDU '5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'' DNA                42  24 .
ZEA      ZEA '(2E)-2-methyl-4-(9H-purin-6-ylamino)' non-polymer        29  16 .
ZEB      ZEB '4-HYDROXY-3,4-DIHYDRO-ZEBULARINE    ' non-polymer        31  17 .
ZEC      ZEC '6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFON' non-polymer        20  14 .
ZED      ZED 'L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METH' non-polymer        39  21 .
ZEM      ZEM '20-OXO-PROTOPORPHYRIN IX CONTAINING ' non-polymer        74  44 .
ZEN      ZEN '.                                   ' non-polymer        61  34 .
ZES      ZES '"[3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLO' non-polymer        36  26 .
ZEX      ZEX '.                                   ' non-polymer        98  42 .
ZEZ      ZEZ '(2Z)-2-methyl-4-(9H-purin-6-ylamino)' non-polymer        29  16 .
ZFB      ZFB '(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-' non-polymer        42  24 .
ZGU      ZGU '(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANI' non-polymer        30  20 .
ZH1      ZH1 '.                                   ' non-polymer        50  28 .
ZHH      ZHH '2-(4-METHOXYPHENYL)ETHANAMINE       ' non-polymer        24  11 .
ZHP      ZHP '(S)-1'-(2',3'-DIHYDROXYPROPYL)-HYDRO' non-polymer        30  18 .
ZHZ      ZHZ '2-(4-METHOXYPHENYL)ACETAMIDE        ' non-polymer        23  12 .
ZID      ZID 'ISONICOTINIC-ACETYL-NICOTINAMIDE-ADE' non-polymer        81  52 .
ZIG      ZIG '2,4-difluoro-N-[2-methoxy-5-(4-pyrid' non-polymer        53  36 .
ZIN      ZIN '7-(pyridin-2-ylmethyl)quinolin-8-ol ' non-polymer        30  18 .
ZIO      ZIO '.                                   ' non-polymer       109  48 .
ZIP      ZIP 'N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6' non-polymer        28  15 .
ZIT      ZIT 'AZITHROMYCIN                        ' non-polymer       124  52 .
ZK1      ZK1 '"{[7-morpholin-4-yl-2,3-dioxo-6-(tri' non-polymer        42  27 .
ZK5      ZK5 '9ALPHA-FLUOROCORTISOL               ' non-polymer        56  27 .
ZK9      ZK9 '[3-AMINOMETHYLPHENYL-OXY-]-[BENZAMID' non-polymer        48  28 .
ZKD      ZKD 'URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N' non-polymer        65  39 .
ZLD      ZLD 'N-{[(5S)-3-(3-fluoro-4-morpholin-4-y' non-polymer        44  24 .
ZMA      ZMA '4-{2-[(7-amino-2-furan-2-yl[1,2,4]tr' non-polymer        40  25 .
ZMG      ZMG '(5R)-2-[(2-fluorophenyl)amino]-5-(1-' non-polymer        30  17 .
ZMO      ZMO '{[(3S)-3-hydroxy-2,2-dimethyl-4-{[3-' non-polymer        94  40 .
ZMP      ZMP '({(3S)-3-hydroxy-2,2-dimethyl-4-oxo-' non-polymer        84  36 .
ZMQ      ZMQ '{[(3S)-4-{[3-({2-[(9Z)-hexadec-9-eno' non-polymer        88  38 .
ZMR      ZMR 'ZANAMIVIR                           ' non-polymer        42  23 .
ZN       ZN  'ZINC ION                            ' non-polymer         1   1 .
ZNH      ZNH 'PROTOPORPHYRIN IX CONTAINING ZN     ' non-polymer        73  43 .
ZNP      ZNP '(2R)-2-benzyl-3-nitropropanamide    ' non-polymer        27  15 .
ZOL      ZOL 'ZOLEDRONIC ACID                     ' non-polymer        26  16 .
ZOP      ZOP '(3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENY' non-polymer        71  37 .
ZP4      ZP4 '.                                   ' non-polymer        77  53 .
ZPG      ZPG '(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14' non-polymer        73  29 .
ZPQ      ZPQ 'N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETH' non-polymer        99  45 .
ZPR      ZPR 'N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLI' non-polymer        46  24 .
ZRA      ZRA 'BENZOYL-ARGININE-ALANINE-METHYL KETO' non-polymer        56  27 .
ZRC      ZRC 'OXO ZIRCONIUM(IV) CLUSTER           ' non-polymer        21  21 .
ZRG      ZRG '"(2S)-2-acetamido-N-methyl-5-[[N-(me' non-polymer        42  20 .
ZS4      ZS4 '2-(difluoromethyl)-1-(4,6-dimorpholi' non-polymer        51  30 .
ZST      ZST '"3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROME' non-polymer        40  29 .
ZTH      ZTH '(S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMI' non-polymer        29  18 .
ZTW      ZTW 'RALOXIFENE CORE                     ' non-polymer        27  17 .
ZU3      ZU3 'N-[(benzyloxy)carbonyl]-3-[(2,2-dime' non-polymer        93  44 .
ZU5      ZU5 'N-[(benzyloxy)carbonyl]-O-tert-butyl' non-polymer        97  45 .
ZUK      ZUK '5-pyrimidin-2-yl-D-norvaline        ' peptide            26  14 .
ZWZ      ZWZ '(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-m' non-polymer        28  12 .
ZX0      ZX0 '(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3' non-polymer        44  23 .
ZX1      ZX1 '(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3' non-polymer        44  23 .
ZX5      ZX5 '3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6' non-polymer        50  25 .
ZX6      ZX6 '2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6' non-polymer        47  24 .
ZX7      ZX7 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        44  23 .
ZX8      ZX8 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        43  23 .
ZX9      ZX9 '(2S)-2-cyclopentyl-2-phenyl-N-{[(2R,' non-polymer        56  26 .
ZXA      ZXA 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        33  15 .
ZXB      ZXB '(2S,3R,4S,5R)-2-benzylpiperidine-3,4' non-polymer        33  16 .
ZXD      ZXD '(2S,3R,4S,5R)-2-(1-methylethyl)piper' non-polymer        29  12 .
ZY0      ZY0 '"N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3' non-polymer        79  44 .
ZY1      ZY1 '"N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3' non-polymer        80  42 .
ZY2      ZY2 '"N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3' non-polymer        84  43 .
ZY3      ZY3 '"N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3' non-polymer        81  41 .
ZY4      ZY4 '"N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(T' non-polymer        78  40 .
ZY5      ZY5 '4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(' non-polymer        40  22 .
ZY6      ZY6 '1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-' non-polymer        42  23 .
ZY7      ZY7 '(3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLI' non-polymer        43  23 .
ZYA      ZYA 'BENZOYL-TYROSINE-ALANINE-METHYL KETO' non-polymer        52  28 .
ZYE      ZYE '"N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3' non-polymer        79  41 .
ZYN      ZYN '6-(3-chloro-4-fluorobenzyl)-4-hydrox' non-polymer        53  30 .
ZYO      ZYO '"(6S)-2-(3-chloro-4-fluorobenzyl)-8-' non-polymer        60  36 .
ZYP      ZYP '5-(1,1-dioxido-1,2-thiazinan-2-yl)-N' non-polymer        49  30 .
ZYQ      ZYQ 'N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]' non-polymer        26  15 .
ZYR      ZYR '5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3' non-polymer        24  14 .
ZYS      ZYS '[4-amino-2-(tert-butylamino)-1,3-thi' non-polymer        36  19 .
ZYT      ZYT '2-(methylsulfanyl)-5-(thiophen-2-ylm' non-polymer        24  14 .
ZYU      ZYU '6-MORPHOLIN-4-YL-9H-PURINE          ' non-polymer        26  15 .
ZYV      ZYV '1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2' non-polymer        31  17 .
ZYW      ZYW '1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B' non-polymer        32  18 .
ZYX      ZYX '4-(2-AMINOETHYL)BENZENESULFONAMIDE  ' non-polymer        25  13 .
ZYY      ZYY '"N-[(6S)-2-(4-fluorobenzyl)-10-hydro' non-polymer        60  34 .
ZYZ      ZYZ '"(4-{(2S)-2-[(tert-butoxycarbonyl)am' non-polymer        47  24 .
ZZ0      ZZ0 '2-(4-CHLORO-PHENYLAMINO)-NICOTINIC A' non-polymer        25  17 .
ZZ1      ZZ1 '4-METHYL-2H-CHROMEN-2-ONE           ' non-polymer        20  12 .
ZZ2      ZZ2 '4-(2-methoxyethoxy)-6-methylpyrimidi' non-polymer        26  13 .
ZZ3      ZZ3 '4-METHYL-6-(METHYLSULFANYL)-1,3,5-TR' non-polymer        18  10 .
ZZ4      ZZ4 '4-(2,4-dichlorophenyl)-5-phenyldiaze' non-polymer        34  23 .
ZZ5      ZZ5 '3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENY' non-polymer        40  25 .
ZZ6      ZZ6 '2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETH' non-polymer        35  23 .
ZZ7      ZZ7 '"(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phe' non-polymer        44  25 .
ZZ8      ZZ8 '2-(ACETYLAMINO)BENZOIC ACID         ' non-polymer        21  13 .
ZZ9      ZZ9 '5'-O-[(S)-hydroxy{[(1R)-1-hydroxyund' non-polymer        70  35 .
ZZA      ZZA '1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC AC' non-polymer        21  14 .
ZZB      ZZB '.                                   ' non-polymer        56  36 .
ZZC      ZZC '"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL' non-polymer        56  35 .
ZZD      ZZD 'S-TRITYL-L-CYSTEINE                 ' peptide            46  26 .
ZZE      ZZE '"5-{[3,5-diethyl-1-(2-hydroxyethyl)-' non-polymer        41  23 .
ZZF      ZZF '4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY' non-polymer        44  26 .
ZZG      ZZG '"4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-Y' non-polymer        60  34 .
ZZH      ZZH '(2S)-2-(4-benzylphenoxy)-3-phenylpro' non-polymer        44  25 .
ZZI      ZZI '(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPY' non-polymer        36  15 .
ZZJ      ZZJ 'N^2^-methyl-L-alaninamide           ' non-polymer        17   7 .
ZZK      ZZK '4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)P' non-polymer        40  25 .
ZZL      ZZL '"4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)' non-polymer        48  34 .
ZZM      ZZM '1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETH' non-polymer        35  21 .
ZZN      ZZN '2-{[4-amino-3-(3-fluoro-5-hydroxyphe' non-polymer        60  38 .
ZZO      ZZO '2-{[4-amino-3-(3-fluoro-4-hydroxyphe' non-polymer        60  38 .
ZZP      ZZP 'N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2' non-polymer        51  32 .
ZZQ      ZZQ '2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,' non-polymer        57  34 .
ZZU      ZZU '(2S,3S)-HYDROXYARGININE             ' peptide            26  13 .
ZZV      ZZV 'N-[7-(4-fluorobenzyl)-9-hydroxy-8-ox' non-polymer        47  29 .
ZZW      ZZW '9-(4-fluorobenzyl)-N-hydroxy-9H-beta' non-polymer        39  25 .
ZZX      ZZX '"(6S)-2-(3-chloro-4-fluorobenzyl)-8-' non-polymer        53  32 .
ZZY      ZZY '1-[(2-NITROPHENYL)SULFONYL]-1H-PYRRO' non-polymer        34  24 .
ZZZ      ZZZ '6-FORMYLTETRAHYDROPTERIN            ' non-polymer        23  14 .
#
# ---   LIST OF RECOGNIZED MODIFIED MONOMERS ---
#
data_deriv_list
loop_
_chem_comp_deriv.comp_id
_chem_comp_deriv.source_comp_id
_chem_comp_deriv.mod_id
_chem_comp_deriv.name
_chem_comp_deriv.group
 ALA-D    ALA      PEPT-D   D-ALANINE                        D-peptide
 ARG-D    ARG      PEPT-D   D-ARGININE                       D-peptide
 ASN-D    ASN      PEPT-D   D-ASPARAGINE                     D-peptide
 ASP-D    ASP      PEPT-D   D-ASPARTIC-ACID                  D-peptide
 CSH-D    CSH      PEPT-D   D-CYSTEINE                       D-peptide
 CYS-D    CYS      PEPT-D   D-CYSTINE                        D-peptide
 GLN-D    GLN      PEPT-D   D-GLUTAMINE                      D-peptide
 GLU-D    GLU      PEPT-D   D-GLUTAMIC-ACID                  D-peptide
 HIS-D    HIS      PEPT-D   D-HISTIDINE                      D-peptide
 ILE-D    ILE      PEPT-D   D-ISOLEUCINE                     D-peptide
 LEU-D    LEU      PEPT-D   D-LEUCINE                        D-peptide
 LYS-D    LYS      PEPT-D   D-LYSINE                         D-peptide
 MET-D    MET      PEPT-D   D-METHIONINE                     D-peptide
 MSE-D    MSE      PEPT-D   D-SELENOMETHIONINE               D-peptide
 ORN-D    ORN      PEPT-D   D-ORNITHINE                      D-peptide
 PHE-D    PHE      PEPT-D   D-PHENYLALANINE                  D-peptide
 PRO-D    PRO      PEPT-D   D-PROLINE                        D-peptide
 PTR-D    PTR      PEPT-D   D-PHOSPHOTYROSINE                D-peptide
 SER-D    SER      PEPT-D   D-SERINE                         D-peptide
 THR-D    THR      PEPT-D   D-THREONINE                      D-peptide
 TRP-D    TRP      PEPT-D   D-TRYPTOPHAN                     D-peptide
 TYR-D    TYR      PEPT-D   D-TYROSINE                       D-peptide
 VAL-D    VAL      PEPT-D   D-VALINE                         D-peptide
 NLE-D    NLE      PEPT-D   D-NORLEUCINE                     D-peptide
 ILG-D    ILG      PEPT-D   D-GLUTAMYL_GROUP                 D-peptide
 OCS-D    OCS      PEPT-D   D-CYSTEINESULFONIC_ACID          D-peptide
 KCX-D    KCX      PEPT-D   D-LYSINE_NZ-CARBOXYLIC_ACID      D-peptide
 SAH-D    SAH      PEPT-D   S-ADENOSYL-D-HOMOCYSTEINE        D-peptide
 SAM-D    SAM      PEPT-D   S-ADENOSYLMETHIONINE             D-peptide
 SEP-D    SEP      PEPT-D   D-PHOSPHOSERINE                  D-peptide
 LLP-D    LLP      PEPT-D   D-LYSINE-PYRIDOXAL-5*-PHOSPHATE  D-peptide
 HYP-D    HYP      PEPT-D   4-D-Hydroxyproline               D-peptide
 5HP-D    5HP      PEPT-D   5-D-Hydroxyproline               D-peptide
 CSO-D    CSO      PEPT-D   S-D-HYDROXYCYSTINE               D-peptide
 BLE      LEU      B2C      LEUCINE_BORONIC_ACID             non-polymer
 BLY      LYS      B2C      LYSINE_BORONIC_ACID              non-polymer
 B1F      PHE      B2C      PHENYLALANINE_BORONIC_ACID       non-polymer
 B2F      PHE      B2C      PHENYLALANINE_BORONIC_ACID       non-polymer
 B2A      ALA      B2C      ALANINE_BORONIC_ACID             non-polymer
 B2I      ILE      B2C      ISOLEUCINE_BORONIC_ACID          non-polymer
 B2V      VAL      B2C      VALINE_BORONIC_ACID              non-polymer
 BLE-D    LEU      B2C_D    D-LEUCINE_BORONIC_ACID           non-polymer
 BLY-D    LYS      B2C_D    D-LYSINE_BORONIC_ACID            non-polymer
 B1F-D    PHE      B2C_D    D-PHENYLALANINE_BORONIC_ACID     non-polymer
 B2F-D    PHE      B2C_D    D-PHENYLALANINE_BORONIC_ACID     non-polymer
 B2A-D    ALA      B2C_D    DLALANINE_BORONIC_ACID           non-polymer
 B2I-D    ILE      B2C_D    D-ISOLEUCINE_BORONIC_ACID        non-polymer
 B2V-D    VAL      B2C_D    D-VALINE_BORONIC_ACID            non-polymer
 1MA      Ar       1MA      6-HYDRO-1-METHYLADENOSINE-5*-MON RNA
 2MG      Gr       2MG      2N-METHYLGUANOSINE-5*-MONOPHOSPH RNA
 M2G      Gr       M2G      2N-DIMETHYLGUANOSINE-5*-MONOPHOS RNA
 #OMC      Cr       O2*MET   O2*-METHYLCYTIDINE-5*-MONOPHOSPH RNA
 #OMG      Gr       O2*MET   O2*-METHYLGUANOSINE-5*-MONOPHOSP RNA
 #OMU      Ur       O2*MET   O2*-METHYLURIDINE-5*-MONOPHOSPHA RNA
 5MU      Ur       C5MET    5-METHYLURIDINE-5*-MONOPHOSPHATE RNA
 5MC      Cr       C5MET    5-METHYLCYTIDINE-5*-MONOPHOSPHAT RNA
 7MG      Gr       N7MET    7N-METHYL-8-HYDROGUANOSINE-5*-MO RNA
 H2U      Ur       .        5,6-DIHYDROURIDINE               RNA
 MAN-b-L  MAN-b-D  SUG-b-L  beta_L_mannose                   L-pyranose
 NAG-b-L  NAG-b-D  SUG-b-L  beta_L_N-acetyl-Glucose          L-pyranose
 GAL-b-L  GAL-b-D  SUG-b-L  beta_L_galactose                 L-pyranose
 GLC-b-L  GLC-b-D  SUG-b-L  beta_L_glucose                   L-pyranose
 MAN-a-D  MAN-b-D  SUG-a-D  alpha_D_mannose                  D-pyranose
 NAG-a-D  NAG-b-D  SUG-a-D  alpha_D_N-acetyl-Glucose         D-pyranose
 GAL-a-D  GAL-b-D  SUG-a-D  alpha_D_galactose                D-pyranose
 GLC-a-D  GLC-b-D  SUG-a-D  alpha_D_glucose                  D-pyranose
 MAN-a-L  MAN-b-D  SUG-a-L  alpha_L_mannose                  L-pyranose
 NAG-a-L  NAG-b-D  SUG-a-L  alpha_L_N-acetyl-Glucose         L-pyranose
 GAL-a-L  GAL-b-D  SUG-a-L  alpha_L_galactose                L-pyranose
 GLC-a-L  GLC-b-D  SUG-a-L  alpha_L_glucose                  L-pyranose
 FUC-a-D  FUC-a-L  SUG-a-D  alpha_D_fucose                   D-pyranose
 FUC-b-L  FUC-a-L  SUG-b-L  beta_L_fucose                    L-pyranose
 FUC-b-D  FUC-a-L  SUG-b-D  beta_D_fucose                    D-pyranose
 MAG      NAG-b-D  O1MET    metil_NAG                        D-pyranose
 MMA      MAN-b-D  O1MET    metil_MAN                        D-pyranose
 GSA      GAL-b-D  S2O4     O4-sulfonylgalactose             D-pyranose
 GCU-a-D  GCU-b-D  SUG-a-D  alpha_D_GLUCURONIC_ACID          D-pyranose
 CEG-a-D  CEG-b-D  SUG-a-D  alpha-D-CEG                      non-polymer
 GCU-a-L  GCU-b-D  SUG-a-L  alpha_L_GLUCURONIC_ACID          L-pyranose
 CEG-a-L  CEG-b-D  SUG-a-L  alpha-L-CEG                      non-polymer
 GCU-b-L  GCU-b-D  SUG-b-L  beta_L_GLUCURONIC_ACID           L-pyranose
 CEG-b-L  CEG-b-D  SUG-b-L  beta-L-CEG                       non-polymer
#
# ---   LIST OF SYNONYMS ---
#
data_comp_synonym_list
loop_
_chem_comp_synonym.comp_id
_chem_comp_synonym.comp_alternative_id
_chem_comp_synonym.mod_id
TRP         TRY      .
ALA-D       DAL      .
VAL-D       DVA      .
PHE-D       DPN      .
PRO         DPR      .
TRP-D       DTR      .
THR         DTH      .
LEU-D       DLE      .
DA          Ad       .
DC          Cd       .
DG          Gd       .
DT          Td       .
DU          Ud       .
A           Ar       .
C           Cr       .
G           Gr       .
T           Tr       .
U           Ur       .
DA          +A       .
DC          +C       .
DG          +G       .
DT          +T       .
DU          +U       .
XYL         XLS      .
SO4         SUL      .
SO4         SO1      .
SO4         SO2      .
PO4         PHO      .
P           SPS      .
P           IPS      .
ZN          ZN1      .
ZN          ZN2      .
3GP         GMP      .
HOH         WAT      .
HOH         H2O      .
HOH         OH2      .
HOH         DOD      .
BEZ         BOX      .
ATA         AMT      .
GTT         GSH      .
#PLM         PAM      .
NAG-b-D     NGA      .
NAG-b-D     NAG      .
MAN-b-D     MAN      .
GAL-b-D     GAL      .
GLC-b-D     GLC      .
FUC-a-L     FUC      .
FUC-a-D     FCA      .
FUC-b-D     FCB      .
GCU-b-D     GCU      .
CEG-b-D     CEG      .
#
data_comp_synonym_atom_list
loop_
_chem_comp_synonym_atom.comp_id
_chem_comp_synonym_atom.comp_alternative_id
_chem_comp_synonym_atom.atom_id
_chem_comp_synonym_atom.atom_alternative_id
NDG         .        O1     OL1
NDG         .        O1     O1L
KCX         .        OQ1    OX1
KCX         .        OQ2    OX2
SIA         .        O1A    O1
SIA         .        O1B    O3
#PCA         .        OE1    OE 
THR         .        OG1    OG
ILE         .        CD1    CD
5GP         .        P      PA
5GP         .        O1P    O1A
5GP         .        O2P    O2A
5GP         .        O3P    O3A
2AM         .        P      PA
2AM         .        O1P    O1A
2AM         .        O2P    O2A
2AM         .        O3P    O3A
3GP         .        P      PA
3GP         .        O1P    O1A
3GP         .        O2P    O2A
3GP         .        O3P    O3A
HOH         .        O      OW
HOH         .        O      OH2
HOH         .        H1     D1
HOH         .        H2     D2
HYP         .        CD     CD2
HYP         .        OD1    OD 
CH3         .        C      C1
CH3         .        C      C1A
CH3         .        H1     H11
CH3         .        H2     H12
CH3         .        H3     H13
CH3         .        H1     HC1
CH3         .        H2     HC2
CH3         .        H3     HC3
CH3         .        H1     H1A1
CH3         .        H2     H1A2
CH3         .        H3     H1A3
NCO         .        N1     NH1
NCO         .        N2     NH2
NCO         .        N3     NH3
NCO         .        N4     NH4
NCO         .        N5     NH5
NCO         .        N6     NH6
2GP         .        O2P    O4P
2GP         .        C5*    C5R
2GP         .        O5*    O5R
2GP         .        C4*    C4R
2GP         .        O4*    O4R
2GP         .        C1*    C1R
2GP         .        C2*    C2R
2GP         .        O2*    O2R
2GP         .        C3*    C3R
2GP         .        O3*    O3R
AMP         .        P      PA
AMP         .        O1P    O1A
AMP         .        O2P    O2A
AMP         .        O3P    O3A
MO5         .        O1     OA
MO5         .        O2     OB
MO5         .        O3     OC
MO5         .        O4     OD
MO5         .        O5     OE
MO4         .        O1     OB
MO4         .        O2     OC
MO4         .        O3     OD
MO4         .        O4     OF
MO6         .        O1     OA
MO6         .        O2     OB
MO6         .        O3     OC
MO6         .        O4     OD
MO6         .        O5     OE
MO6         .        O6     OF
FOL         .        O4     OH4
BEN         .        C      C7
BOC         .        O1     OT1
BOC         .        C      CT1
BOC         .        O2     OT2
BOC         .        CT     CT2
BOC         .        C1     CT3
BOC         .        C2     CT4
BOC         .        C3     CT5
#M2G         .        C2A    CM2
#M2G         .        C2B    CM1
#2MG         .        C2A    CM2
#OMC         .        C2A    CM2
#OMG         .        C2A    CM2
#OMU         .        C2A    CM2
#5MC         .        C5A    CM5
#5MU         .        C5A    CM5
#1MA         .        C1     CM1
#7MG         .        C7     CM7
OME         .        C1     CM
OME         .        O1     O
CB3         .        O4     OA4
MAE         .        O1     O1A
MAE         .        O2     O1B
MAE         .        O3     O4A
MAE         .        O4     O4B
MPD         .        CM     C6
MPD         .        O2     O7
MPD         .        O4     O8
PMP         .        N4A    N4
PMP         .        O4P    OP4
PMP         .        O1P    OP1
PMP         .        O2P    OP2
PMP         .        O3P    OP3
#BEZ         BOX      C      C1,
#BEZ         BOX      O1     O1,
#BEZ         BOX      O2     O2,
CBZ         .        O1     O
CBZ         .        O2     OA
CBZ         .        C1,    CB
CBZ         .        C1     CG
CBZ         .        C2     CD1
CBZ         .        C6     CD2
CBZ         .        C5     CE1
CBZ         .        C3     CE2
CBZ         .        C4     CZ
OAA         .        O4     O6
OAA         .        O3     O7
OAA         .        C4     C6
#PLM         .        C10    CA
#PLM         .        C11    CB
#PLM         .        C12    CC
##PLM         .        C13    CD
#PLM         .        C14    CE
#PLM         .        C15    CF
#PLM         .        C16    CG
SPH         .        N2     N
SPH         .        C2     CA
SPH         .        C1     C
SPH         .        O1     O
#TFA         .        C      C1
#TFA         .        CT     C2
TOS         .        O1S    O1
TOS         .        O2S    O2
MPR         .        C1     C  
MPR         .        C2     CA 
MPR         .        H21    HA1
MPR         .        H22    HA2
MPR         .        C3     CB 
MPR         .        H31    HB1
MPR         .        H32    HB2
MPR         .        S3     SG 
ADD         .        N      N3
ADD         .        C      C1
ACB         .        N      N2
ILG         .        H      HN1
ILG-D       .        H      HN1
ALA         .        H      HN1
HEA         .        NA     N_A
HEA         .        NB     N_B
HEA         .        NC     N_C
HEA         .        ND     N_D
HEM         .        NA     N_A
HEM         .        NB     N_B
HEM         .        NC     N_C
HEM         .        ND     N_D
HEC         .        NA     N_A
HEC         .        NB     N_B
HEC         .        NC     N_C
HEC         .        ND     N_D
HMD         .        NA     N_A
HMD         .        NB     N_B
HMD         .        NC     N_C
HMD         .        ND     N_D
#MMA         .        C7     CM
#MMA         .        H71    HM1
#MMA         .        H72    HM2
#MMA         .        H73    HM3
ILE         .        CD1    CD
THY         .        C7     C5A
THY         .        C7     CA5
THY         .        C7     CA5

DA          .        OP1    O1P
DA          .        OP2    O2P
DA          .        OP3    O3P
DA          .        'O5''  O5*
DA          .        'C5''  C5*
DA          .        'C4''  C4*
DA          .        'O4''  O4*
DA          .        'C3''  C3*
DA          .        'O3''  O3*
DA          .        'C1''  C1*
DA          .        'C2''  C2*

DG          .        OP1    O1P
DG          .        OP2    O2P
DG          .        OP3    O3P
DG          .        'O5''  O5*
DG          .        'C5''  C5*
DG          .        'C4''  C4*
DG          .        'O4''  O4*
DG          .        'C3''  C3*
DG          .        'O3''  O3*
DG          .        'C1''  C1*
DG          .        'C2''  C2*

DT          .        OP1    O1P    
DT          .        OP2    O2P
DT          .        OP3    O3P
DT          .        'O5''  O5*
DT          .        'C5''  C5*
DT          .        'C4''  C4*
DT          .        'O4''  O4*
DT          .        'C3''  C3*
DT          .        'O3''  O3*
DT          .        'C1''  C1*
DT          .        'C2''  C2*
DT          .        C7     C5M

T           .        OP1    O1P
T           .        OP2    O2P
T           .        OP3    O3P
T           .        'O5''  O5*
T           .        'C5''  C5*
T           .        'C4''  C4*
T           .        'O4''  O4*
T           .        'C3''  C3*
T           .        'O3''  O3*
T           .        'C1''  C1*
T           .        'C2''  C2*
T           .        C7     C5A
T           .        C7     C5M

A           .        OP1    O1P
A           .        OP2    O2P
A           .        OP3    O3P
A           .        'O5''  O5*
A           .        'C5''  C5*
A           .        'C4''  C4*
A           .        'O4''  O4*
A           .        'C3''  C3*
A           .        'O3''  O3*
A           .        'C1''  C1*
A           .        'C2''  C2*
A           .        'O2''  O2*

C           .        OP1    O1P
C           .        OP2    O2P
C           .        OP3    O3P
C           .        'O5''  O5*
C           .        'C5''  C5*
C           .        'C4''  C4*
C           .        'O4''  O4*
C           .        'C3''  C3*
C           .        'O3''  O3*
C           .        'C1''  C1*
C           .        'C2''  C2*
C           .        'O2''  O2*

DC          .        OP1    O1P
DC          .        OP2    O2P
DC          .        OP3    O3P
DC          .        'O5''  O5*
DC          .        'C5''  C5*
DC          .        'C4''  C4*
DC          .        'O4''  O4*
DC          .        'C3''  C3*
DC          .        'O3''  O3*
DC          .        'C1''  C1*
DC          .        'C2''  C2*

G           .        OP1    O1P
G           .        OP2    O2P
G           .        OP3    O3P
G           .        'O5''  O5*
G           .        'C5''  C5*
G           .        'C4''  C4*
G           .        'O4''  O4*
G           .        'C3''  C3*
G           .        'O3''  O3*
G           .        'C1''  C1*
G           .        'C2''  C2*
G           .        'O2''  O2*

T           .        OP1    O1P
T           .        OP2    O2P
T           .        OP3    O3P
T           .        'O5''  O5*
T           .        'C5''  C5*
T           .        'C4''  C4*
T           .        'O4''  O4*
T           .        'C3''  C3*
T           .        'O3''  O3*
T           .        'C1''  C1*
T           .        'C2''  C2*
T           .        C7     C5M
T           .        'O2''  O2*

U           .        OP1    O1P
U           .        OP2    O2P
U           .        OP3    O3P
U           .        'O5''  O5*
U           .        'C5''  C5*
U           .        'C4''  C4*
U           .        'O4''  O4*
U           .        'C3''  C3*
U           .        'O3''  O3*
U           .        'C1''  C1*
U           .        'C2''  C2*
U           .        'O2''  O2*

DU          .        OP1    O1P
DU          .        OP2    O2P
DU          .        OP3    O3P
DU          .        'O5''  O5*
DU          .        'C5''  C5*
DU          .        'C4''  C4*
DU          .        'O4''  O4*
DU          .        'C3''  C3*
DU          .        'O3''  O3*
DU          .        'C1''  C1*
DU          .        'C2''  C2*

ATP         .        'O2''  O2*
ATP         .        'O5''  O5*
ATP         .        'C5''  C5*
ATP         .        'C4''  C4*
ATP         .        'O4''  O4*
ATP         .        'C3''  C3*
ATP         .        'O3''  O3*
ATP         .        'C2''  C2*
ATP         .        'C1''  C1*

ADP         .        'O2''  O2*
ADP         .        'O5''  O5*
ADP         .        'C5''  C5*
ADP         .        'C4''  C4*
ADP         .        'O4''  O4*
ADP         .        'C3''  C3*
ADP         .        'O3''  O3*
ADP         .        'C2''  C2*
ADP         .        'C1''  C1*

AMP         .        'O5''  O5*
AMP         .        'C5''  C5*
AMP         .        'C4''  C4*
AMP         .        'O4''  O4*
AMP         .        'C3''  C3*
AMP         .        'O3''  O3*
AMP         .        'C2''  C2*
AMP         .        'C1''  C1*

UMP         .        'O5''  O5*
UMP         .        'C5''  C5*
UMP         .        'C4''  C4*
UMP         .        'O4''  O4*
UMP         .        'C3''  C3*
UMP         .        'O3''  O3*
UMP         .        'C2''  C2*
UMP         .        'C1''  C1*
UMP         .         OP1   O1P
UMP         .         OP2   O2P
UMP         .         OP3   O3P

NAD         .         PA    AP
NAD         .         O1A   AO1
NAD         .         O2A   AO2
NAD         .         O5B   AO5*
NAD         .         C5B   AC5*
NAD         .         C4B   AC4*
NAD         .         O4B   AO4*
NAD         .         C3B   AC3*
NAD         .         O3B   AO3*
NAD         .         C2B   AC2*
NAD         .         O2B   AO2*
NAD         .         C1B   AC1*
NAD         .         N9A   AN9
NAD         .         C8A   AC8
NAD         .         N7A   AN7
NAD         .         C5A   AC5
NAD         .         C6A   AC6
NAD         .         N6A   AN6
NAD         .         N1A   AN1
NAD         .         C2A   AC2
NAD         .         N3A   AN3
NAD         .         C4A   AC4
NAD         .         PN    NP

NAD         .         O1N   NO1
NAD         .         O2N   NO2
NAD         .         O5D   NO5*
NAD         .         C5D   NC5*
NAD         .         C4D   NC4*
NAD         .         O4D   NO4*
NAD         .         C3D   NC3*
NAD         .         O3D   NO3*

NAD         .         C2D   NC2*
NAD         .         O2D   NO2*
NAD         .         C1D   NC1*

NAD         .         N1N   NN1
NAD         .         C2N   NC2
NAD         .         C3N   NC3
NAD         .         C7N   NC7
NAD         .         O7N   NO7
NAD         .         N7N   NN7
NAD         .         C4N   NC4
NAD         .         C5N   NC5
NAD         .         C6N   NC6

NDP         .         PA    AP
NDP         .         O1A   AO1
NDP         .         O2A   AO2
NDP         .         O5B   AO5*
NDP         .         C5B   AC5*
NDP         .         C4B   AC4*
NDP         .         O4B   AO4*
NDP         .         C3B   AC3*
NDP         .         O3B   AO3*
NDP         .         C2B   AC2*
NDP         .         O2B   AO2*
NDP         .         C1B   AC1*
NDP         .         N9A   AN9
NDP         .         C8A   AC8
NDP         .         N7A   AN7
NDP         .         C5A   AC5
NDP         .         C6A   AC6
NDP         .         N6A   AN6
NDP         .         N1A   AN1
NDP         .         C2A   AC2
NDP         .         N3A   AN3
NDP         .         C4A   AC4
NDP         .         PN    NP

NDP         .         O1N   NO1
NDP         .         O2N   NO2
NDP         .         O5D   NO5*
NDP         .         C5D   NC5*
NDP         .         C4D   NC4*
NDP         .         O4D   NO4*
NDP         .         C3D   NC3*
NDP         .         O3D   NO3*

NDP         .         C2D   NC2*
NDP         .         O2D   NO2*
NDP         .         C1D   NC1*

NDP         .         N1N   NN1
NDP         .         C2N   NC2
NDP         .         C3N   NC3
NDP         .         C7N   NC7
NDP         .         O7N   NO7
NDP         .         N7N   NN7
NDP         .         C4N   NC4
NDP         .         C5N   NC5
NDP         .         C6N   NC6


NDP         .         PA    AP
NDP         .         O1A   AO1
NDP         .         O2A   AO2
NDP         .         O5B   AO5*
NDP         .         C5B   AC5*
NDP         .         C4B   AC4*
NDP         .         O4B   AO4*
NDP         .         C3B   AC3*
NDP         .         O3B   AO3*
NDP         .         C2B   AC2*
NDP         .         O2B   AO2*
NDP         .         C1B   AC1*
NDP         .         N9A   AN9
NDP         .         C8A   AC8
NDP         .         N7A   AN7
NDP         .         C5A   AC5
NDP         .         C6A   AC6
NDP         .         N6A   AN6
NDP         .         N1A   AN1
NDP         .         C2A   AC2
NDP         .         N3A   AN3
NDP         .         C4A   AC4
NDP         .         PN    NP

NDP         .         O1N   NO1
NDP         .         O2N   NO2
NDP         .         O5D   NO5*
NDP         .         C5D   NC5*
NDP         .         C4D   NC4*
NDP         .         O4D   NO4*
NDP         .         C3D   NC3*
NDP         .         O3D   NO3*

NDP         .         C2D   NC2*
NDP         .         O2D   NO2*
NDP         .         C1D   NC1*

NDP         .         N1N   NN1
NDP         .         C2N   NC2
NDP         .         C3N   NC3
NDP         .         C7N   NC7
NDP         .         O7N   NO7
NDP         .         N7N   NN7
NDP         .         C4N   NC4
NDP         .         C5N   NC5
NDP         .         C6N   NC6
NDP         .         P2B   AP2*
NDP         .         O1X   AOP1
NDP         .         O2X   AOP2
NDP         .         O3X   AOP3

NAP         .         PA    AP
NAP         .         O1A   AO1
NAP         .         O2A   AO2
NAP         .         O5B   AO5*
NAP         .         C5B   AC5*
NAP         .         C4B   AC4*
NAP         .         O4B   AO4*
NAP         .         C3B   AC3*
NAP         .         O3B   AO3*
NAP         .         C2B   AC2*
NAP         .         O2B   AO2*
NAP         .         C1B   AC1*
NAP         .         N9A   AN9
NAP         .         C8A   AC8
NAP         .         N7A   AN7
NAP         .         C5A   AC5
NAP         .         C6A   AC6
NAP         .         N6A   AN6
NAP         .         N1A   AN1
NAP         .         C2A   AC2
NAP         .         N3A   AN3
NAP         .         C4A   AC4
NAP         .         PN    NP

NAP         .         O1N   NO1
NAP         .         O2N   NO2
NAP         .         O5D   NO5*
NAP         .         C5D   NC5*
NAP         .         C4D   NC4*
NAP         .         O4D   NO4*
NAP         .         C3D   NC3*
NAP         .         O3D   NO3*

NAP         .         C2D   NC2*
NAP         .         O2D   NO2*
NAP         .         C1D   NC1*

NAP         .         N1N   NN1
NAP         .         C2N   NC2
NAP         .         C3N   NC3
NAP         .         C7N   NC7
NAP         .         O7N   NO7
NAP         .         N7N   NN7
NAP         .         C4N   NC4
NAP         .         C5N   NC5
NAP         .         C6N   NC6


NAP         .         PA    AP
NAP         .         O1A   AO1
NAP         .         O2A   AO2
NAP         .         O5B   AO5*
NAP         .         C5B   AC5*
NAP         .         C4B   AC4*
NAP         .         O4B   AO4*
NAP         .         C3B   AC3*
NAP         .         O3B   AO3*
NAP         .         C2B   AC2*
NAP         .         O2B   AO2*
NAP         .         C1B   AC1*
NAP         .         N9A   AN9
NAP         .         C8A   AC8
NAP         .         N7A   AN7
NAP         .         C5A   AC5
NAP         .         C6A   AC6
NAP         .         N6A   AN6
NAP         .         N1A   AN1
NAP         .         C2A   AC2
NAP         .         N3A   AN3
NAP         .         C4A   AC4
NAP         .         PN    NP

NAP         .         O1N   NO1
NAP         .         O2N   NO2
NAP         .         O5D   NO5*
NAP         .         C5D   NC5*
NAP         .         C4D   NC4*
NAP         .         O4D   NO4*
NAP         .         C3D   NC3*
NAP         .         O3D   NO3*

NAP         .         C2D   NC2*
NAP         .         O2D   NO2*
NAP         .         C1D   NC1*

NAP         .         N1N   NN1
NAP         .         C2N   NC2
NAP         .         C3N   NC3
NAP         .         C7N   NC7
NAP         .         O7N   NO7
NAP         .         N7N   NN7
NAP         .         C4N   NC4
NAP         .         C5N   NC5
NAP         .         C6N   NC6
NAP         .         P2B   AP2*
NAP         .         O1X   AOP1
NAP         .         O2X   AOP2
NAP         .         O3X   AOP3

#FAD         .         PA    AP
#FAD         .         O1A   AO1
#FAD         .         O2A   AO2
#FAD         .         O5B   AO5*
#FAD         .         C5B   AC5*
#FAD         .         C4B   AC4*
#FAD         .         O4B   AO4*
#FAD         .         C3B   AC3*
#FAD         .         O3B   AO3*
#FAD         .         C2B   AC2*
#FAD         .         O2B   AO2*
#FAD         .         C1B   AC1*
#FAD         .         N9A   AN9
#FAD         .         C8A   AC8
#FAD         .         N7A   AN7
#FAD         .         C6A   AC6
#FAD         .         N6A   AC6
#FAD         .         N1A   AN1
#FAD         .         C5A   AC5
#FAD         .         C6A   AC6
#FAD         .         N6A   AN6
#FAD         .         N1A   AN1
#FAD         .         C2A   AC2
#FAD         .         N3A   AN3
#FAD         .         'C1'' C1*
#FAD         .         'C2'' C2*
#FAD         .         'O2'' O2*
#FAD         .         'C3'' C*
#FAD         .         'O3'' O3*
#FAD         .         'C4'' C4*
#FAD         .         'O4'' O4*
#FAD         .         'C5'' C5*
#FAD         .         'O5'' O5*

#FDA         .         PA    AP
#FDA         .         O1A   AO1
#FDA         .         O2A   AO2
#FDA         .         O5B   AO5*
#FDA         .         C5B   AC5*
#FDA         .         C4B   AC4*
#FDA         .         O4B   AO4*
##FDA         .         C3B   AC3*
#FDA         .         O3B   AO3*
#FDA         .         C2B   AC2*
#FDA         .         O2B   AO2*
#FDA         .         C1B   AC1*
#FDA         .         N9A   AN9
#FDA         .         C8A   AC8
#FDA         .         N7A   AN7
#FDA         .         C5A   AC5
#FDA         .         C6A   AC6
#FDA         .         N6A   AC6
#FDA         .         N1A   AN1
#FDA         .         C6A   AC6
#FDA         .         N6A   AN6
#FDA         .         N1A   AN1
#FDA         .         C2A   AC2
#FDA         .         N3A   AN3
#FDA         .         'C1'' C1*
#FDA         .         'C2'' C2*
#FDA         .         'O2'' O2*
#FDA         .         'C3'' C*
#FDA         .         'O3'' O3*
#FDA         .         'C4'' C4*
#FDA         .         'O4'' O4*
#FDA         .         'C5'' C5*
#FDA         .         'O5'' O5*

SAH         .        'C5''  C5*
SAH         .        'C4''  C4*
SAH         .        'O4''  O4*
SAH         .        'C1''  C1*
SAH         .        'C2''  C2*
SAH         .        'O3''  O3*
SAH         .        'O2''  O2*
SAH         .        'C3''  C3*
CSX         .        OD      O1
CGU         .        OE11    OE1
CGU         .        OE12    OE2
CGU         .        OE21    OE3
CGU         .        OE22    OE4
#7HE         .        N_A    'N A'
#7HE         .        N_B    'N B'
#7HE         .        N_C    'N C'
#7HE         .        N_D    'N D'
HEM         .        NA    'N A'
HEM         .        NB    'N B'
HEM         .        NC    'N C'
HEM         .        ND    'N D'
#
# ---   LIST OF LINKS ---
#
data_link_list
loop_
_chem_link.id
_chem_link.comp_id_1
_chem_link.mod_id_1
_chem_link.group_comp_1
_chem_link.comp_id_2
_chem_link.mod_id_2
_chem_link.group_comp_2
_chem_link.name
SS       CYS      CYS-SS        .        CYS      CYS-SS        .
#SS       CYS            .       .        CYS           .        .
 SS-bridge
disulf   CYS      CYS-SS        .        CYS      CYS-SS        .
 SS-bridge
MPR-CYS  MPR      .        .        CYS      CYS-SS        .
 SS-bridge
CYS-MPR  CYS      CYS-SS        .        MPR      .        .
 SS-bridge
TRANS    .        .        peptide  .        .        peptide
 default-peptide-link
PTRANS   .        .        peptide  PRO      .        .
 default-peptide-link_pro
NMTRANS  .        .        peptide  PRO      .        .
 default-peptide-link_cn
CIS      .        .        peptide  .        .        peptide
 cis-peptide-link
PCIS     .        .        peptide  PRO      .        .
 cis-peptide-link_pro
NMCIS    .        .        peptide  PRO      .        .
 cis-peptide-link_cn
gap      .        .        .        .        .        .
 gap-link
p        .       DEL_HO3p        DNA/RNA  .      DEL_OP3        DNA/RNA
 default-DNA/RNA-link
FOR_C-N  FOR      .        .        .        .        peptide
 bond_FOR-C_=_N-peptide
FOR_C-C  .        .        peptide  FOR      .        .
 bond_FOR-C_=_C-peptide
FOR-LYZ  LYZ      .        .        FOR      .        .
 bond_FOR-C_=_NZ-LYZ
ACE_C-N  ACE      .        .        .        .        peptide
 bond_ACE-C_=_N_peptide
AHT-ALA  AHT      .        .        ALA      .        .
 bond_AHT-N2_=_CB-ALA
DFO-NME  DFO      .        .        NME      .        .
 bond_DFO-C_=_N-NME
DFO_C-N  DFO      .        .        .        .        peptide
 bond_DFO-C_=_N-peptide
DFO_N-C  .        .        peptide  DFO      .        .
 bond_DFO-N_=_C-peptide
STA-NME  DFO      .        .        NME      .        .
 bond_DFO-C_=_N-NME
STA_C-N  DFO      .        .        .        .        peptide
 bond_DFO-C_=_N-peptide
STA_N-C  .        .        peptide  DFO      .        .
 bond_DFO-N_=_C-peptide
STA_DFO  STA      .        .        DFO      .        .
 bond_STA-C_=_N-DFO
DFO_STA  DFO      .        .        STA      .        .
 bond_DFO-C_=_N-STA
STA_STA  STA      .        .        STA      .        .
 bond_STA-C_=_N-STA
DFO_DFO  DFO      .        .        DFO      .        .
 bond_DFO-C_=_N-DFO
IVA_C-N  IVA      .        .        .        .        peptide
 bond_IVA-C_=_N-peptide
BOC_C-N  BOC      .        .        .        .        peptide
 bond_BOC-C_=_N-peptide
NME_N-C  .        .        peptide  NME      .        .
 bond_NME-N_=_C-peptide
LINK_C-N .        .        polymer  .        .        polymer
 bond_C_=_N
LINK_CNp .        .        polymer  .        .        peptide
 bond_C_=_N-peptide
LINK_CpN .        .        peptide  .        .        polymer
 bond_C-peptide_=_N
BETA1-2  .        DEL-HO2  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-2
BETA1-3  .        DEL-HO3  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-3
BETA2-3  SIA      DEL-O2   .        .        DEL-HO3  pyranose
 glycosidic_bond_beta1-3
BETA1-4  .        DEL-HO4  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-4
BETA1-6  .        DEL-HO6  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-6
ALPHA1-2 .        DEL-HO2  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-2
ALPHA1-3 .        DEL-HO3  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-3
ALPHA2-3 SIA      DEL-O2   .        .        DEL-HO3  pyranose
 glycosidic_bond_alpha2-3
ALPHA1-4 .        DEL-HO4  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-4
ALPHA1-6 .        DEL-HO6  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-6
MAN-SER  MAN      DEL-O1   .        SER      DEL-HG   .
 bond_MAN-C1_=_SER-OG
NAG-SER  .        DEL-O1   pyranose SER      DEL-HG   .
 bond_NAG-C1_=_SER-OG
NAG-THR  .        DEL-O1   pyranose THR      DEL-HG1  .
 bond_NAG-C1_=_THR-OG1
MAN-THR  MAN      DEL-O1   .        THR      DEL-HG1  .
 bond_MAN-C1_=_THR-OG1
NAG-ASN  .        DEL-O1   pyranose ASN      DEL-HD22 .
 bond_NAG-C1_=_ASN-ND2
MAN-ASN  MAN      DEL-O1   .        ASN      DEL-HD22 .
 bond_MAN-C1_=_ASN-ND2
XYS-THR  XYS      XYS-O1   .        THR      DEL-HG1  .
 bond_XYS-C1_=_THR-OG1
XYS-SER  XYS      XYS-O1   .        SER      DEL-HG   .
 bond_XYS-C1_=_SER-OG
XYS-ASN  XYS      XYS-O1   .        ASN      DEL-HD22 .
 bond_XYS-C1_=_ASN-ND2
ZN-CYS   ZN       .        .        CYS      .        .
 bond_ZN_=_CYS-SG
FE-CYS   FE       .        .        CYS      .        .
 bond_FE_=_CYS-SG
SFN-TYR  SFN      .        .        TYR      .        .
 bond_SFN-S_=_TYR-OH
CH2-N2   CH2      .        .        .        .        DNA/RNA
 bond_CH2-CH2_=_Ar-N2
DM1-CH2  DM1      .        .        CH2      .        .
 bond_DM1-N3*_=_CH2-CH2
CH3-N1   CH3      .        .        .        .        DNA/RNA
 bond_CH3-C_=_Ar-N1
CH3-O2*  CH3      .        .        .        .        DNA/RNA
 bond_CH3-C_=-O2*
MG-O1P   MG       .        .        .        .        DNA/RNA
 bond_MG_=-O1P
MG-O2P   MG       .        .        .        .        DNA/RNA
 bond_MG_=-O2P
BR-C5    BR       .        .        .        .        DNA/RNA
 bond_BR_=-C5
ILG_CD-N ILG      .        .        .        .        polymer
 bond_ILG-CD_=N-polymer
ILG_CD-p ILG      .        .        .        .        peptide
 bond_ILG-CD_=N-peptide
ACYSNN      ACY      ACYmod      .      SNN      SNNmod      .      'ACYSNN'
ALASNN      .        ALAmod    peptide  SNN      SNNmod      .      'ALASNN'
XYPa-XYP   XYP       XYPmod1   .        XYP      XYPmod2     .  XYP-XYP

symmetry .        .        .        .        .        .
 dummy_link
#
# ---   LIST OF MODIFICATIONS ---
#
data_mod_list
loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
CYS-SS   HG-deletete                                     CYS       .
NH3      NH3-terminus                                     .        peptide
NH1      NH1-terminus                                     .        peptide
NH2      NH2-terminus_for_proline                         .        peptide
NH2N     NH2-terminus_proline_type_with_CN                .        peptide
COO      COO-terminus                                     .        peptide
AA-STAND AA_to_residue_modification                       .        peptide
AA-STPRO AA_to_residue_modification_for_proline           .        peptide
NA-STAND DNA/RNA_to_residue_modification                  .        DNA/RNA
CM-COO   CM-COO-terminus                                  .        polymer
5*END    DNA/RNA-5*-terminus                              .        DNA/RNA
3*END    DNA/RNA-3*-terminus                              .        DNA/RNA
p5*END   DNA/RNA-p5*-terminus                             .        DNA/RNA
p3*END   DNA/RNA-p3*-terminus                             .        DNA/RNA
DEL_OP3  DN/RNA-OP3-delete                                .        DNA/RNA
DEL_HO3p DNA/RNA-OP3-delete                                .        DNA/RNA
FOR-N    N-terminus_of_formyl                             .        .
FOR-C    C-terminus_of_formyl                             .        .
G-N2     delete_N2_from_guanosine                         .        DNA/RNA
DEL-O1   delete_O1_from_saccharide                        .        pyranose
DEL-O2   delete_O2_from_saccharide                        .        sacharid
DEL-HO2  delete_HO2_from_saccharide                       .        pyranose
DEL-HO3  delete_HO3_from_saccharide                       .        pyranose
DEL-HO4  delete_HO4_from_saccharide                       .        pyranose
DEL-HO6  delete_HO6_from_saccharide                       .        pyranose
DEL-OXT  delete_OXT_from_peptide                          .        peptide
DEL-HN1  delete_Hs_from_peptide                           .        peptide
SUG-b-L  change_sugar_to_beta_L                           .        pyranose
SUG-a-D  change_sugar_to_alpha_D                          .        pyranose
SUG-b-D  change_sugar_to_beta_D                           .        pyranose
SUG-a-L  change_sugar_to_alpha_L                          .        pyranose
O1MET    O1_metyl_of_sugar                                .        pyranose
S2O4     O4_sulfonyl_of_GAL                               GAL-b-D  .
PEPT-D   change_peptide_to_D                              .        peptide
1MA      N1-metyl_of_adenosine                            .        DNA/RNA
1MG      N1-metyl_of_guanosine                            .        DNA/RNA
2MG      N2-metyl_of_guanosine                            .        DNA/RNA
M2G      N2-dimetyl_of_guanosine                          .        DNA/RNA
O2*MET   O2*_metyl                                        .        DNA/RNA
C5MET    C5_metyl                                         .        DNA/RNA
N7MET    N7_metyl                                         .        DNA/RNA
RNA-O2*  delete_O2*_from_RNA                              .        DNA/RNA
XYS-O1   delete_O1_from_XYS                               .        .
B2C      replace_B_to_C                                   .        peptide
B2C_D    replace_B_to_C_for_D-peptide                     .        peptide
RENAME   change_monomer"s_name                            .        .
TERMINUS chain_terminus_without_modification              .        .
DEL-HD22 delete_HD22_from_ASN                             ASN      .
DEL-HG   delete_HG_from_SER                               SER      .
DEL-HG1  delete_HG1_from_THR                              THR      .
ACYmod      'ACYmod'      ACY      .
SNNmod      'SNNmod'      SNN      .
ALAmod      'ALAmod'      .      peptide
SNNmd1      'SNNmod'      SNN      .
XYPmod1  'BETA-D-XYLOPYRANOSE                 '           XYP      .
XYPmod2  'BETA-D-XYLOPYRANOSE                 '           XYP      .

#
data_link_disulf
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 disulf       1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 disulf       1 CB      1 SG      2 SG      103.800    1.800
 disulf       1 SG      2 SG      2 CB      103.800    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 disulf       ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_SS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 SS       1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 SS       1 CB      1 SG      2 SG      103.800    1.800
 SS       1 SG      2 SG      2 CB      103.800    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 SS       ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_MPR-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MPR-CYS  1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MPR-CYS  1 CB      1 SG      2 SG      110.000    3.000
 MPR-CYS  1 SG      2 SG      2 CB      110.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 MPR-CYS  ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_CYS-MPR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CYS-MPR  1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 CYS-MPR  1 CB      1 SG      2 SG      110.000    3.000
 CYS-MPR  1 SG      2 SG      2 CB      110.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 CYS-MPR  ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_TRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 TRANS    1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 TRANS    1 O       1 C       2 N       123.000    1.600
 TRANS    1 CA      1 C       2 N       116.200    2.000
 TRANS    1 C       2 N       2 H       124.300    3.000
 TRANS    1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 TRANS    psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 TRANS    omega    1 CA     1 C      2 N      2 CA      180.00   5.0 0
 TRANS    phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 TRANS      plane1    1 CA         .020
 TRANS      plane1    1 C          .020
 TRANS      plane1    1 O          .020
 TRANS      plane1    2 N          .020
 TRANS      plane2    1 C          .020
 TRANS      plane2    2 N          .020
 TRANS      plane2    2 CA         .020
 TRANS      plane2    2 H          .020
#
data_link_PTRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 PTRANS   1 C       2 N         single      1.341     .016
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 PTRANS   1 O       1 C       2 N       123.000    1.600
 PTRANS   1 CA      1 C       2 N       116.900    1.500
 PTRANS   1 C       2 N       2 CD      125.000    4.100
 PTRANS   1 C       2 N       2 CA      122.600    5.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 PTRANS   psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 PTRANS   omega    1 CA     1 C      2 N      2 CA      180.00   5.0 0
 PTRANS   phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 PTRANS     plane1    1 CA         .020
 PTRANS     plane1    1 C          .020
 PTRANS     plane1    1 O          .020
 PTRANS     plane1    2 N          .020
 PTRANS     plane2    1 C          .050
 PTRANS     plane2    2 N          .050
 PTRANS     plane2    2 CA         .050
 PTRANS     plane2    2 CD         .050
#
data_link_NMTRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NMTRANS  1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NMTRANS  1 O       1 C       2 N       123.000    1.600
 NMTRANS  1 CA      1 C       2 N       116.200    2.000
 NMTRANS  1 C       2 N       2 CN      124.300    3.000
 NMTRANS  1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 NMTRANS  psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 NMTRANS  omega    1 CA     1 C      2 N      2 CA      180.00   5.0 0
 NMTRANS  phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 NMTRANS    plane1    1 CA         .020
 NMTRANS    plane1    1 C          .020
 NMTRANS    plane1    1 O          .020
 NMTRANS    plane1    2 N          .020
 NMTRANS    plane2    1 C          .050
 NMTRANS    plane2    2 N          .050
 NMTRANS    plane2    2 CA         .050
 NMTRANS    plane2    2 CN         .050
#
data_link_CIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CIS      1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 CIS      1 O       1 C       2 N       123.000    1.600
 CIS      1 CA      1 C       2 N       116.200    2.000
 CIS      1 C       2 N       2 H       124.300    3.000
 CIS      1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 CIS      psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 CIS      omega    1 CA     1 C      2 N      2 CA         .00   5.0 0
 CIS      phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 CIS        plane1    1 CA         .020
 CIS        plane1    1 C          .020
 CIS        plane1    1 O          .020
 CIS        plane1    2 N          .020
 CIS        plane2    1 C          .020
 CIS        plane2    2 N          .020
 CIS        plane2    2 CA         .020
 CIS        plane2    2 H          .020
#
data_link_PCIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 PCIS     1 C       2 N         single      1.341     .016
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 PCIS     1 O       1 C       2 N       123.000    1.600
 PCIS     1 CA      1 C       2 N       116.900    1.500
 PCIS     1 C       2 N       2 CD      125.000    4.100
 PCIS     1 C       2 N       2 CA      122.600    5.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 PCIS     psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 PCIS     omega    1 CA     1 C      2 N      2 CA         .00   5.0 0
 PCIS     phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 PCIS       plane1    1 CA         .020
 PCIS       plane1    1 C          .020
 PCIS       plane1    1 O          .020
 PCIS       plane1    2 N          .020
 PCIS       plane2    1 C          .050
 PCIS       plane2    2 N          .050
 PCIS       plane2    2 CA         .050
 PCIS       plane2    2 CD         .050
#
data_link_NMCIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NMCIS    1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NMCIS    1 O       1 C       2 N       123.000    1.600
 NMCIS    1 CA      1 C       2 N       116.200    2.000
 NMCIS    1 C       2 N       2 CN      124.300    3.000
 NMCIS    1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 NMCIS    psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 NMCIS    omega    1 CA     1 C      2 N      2 CA         .00   5.0 0
 NMCIS    phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 NMCIS      plane1    1 CA         .020
 NMCIS      plane1    1 C          .020
 NMCIS      plane1    1 O          .020
 NMCIS      plane1    2 N          .020
 NMCIS      plane2    1 C          .050
 NMCIS      plane2    2 N          .050
 NMCIS      plane2    2 CA         .050
 NMCIS      plane2    2 CN         .050
#
data_link_gap
#
#
data_link_p
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 p        1 'O3''     2 P         single      1.600     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 p        1 'O3''     2 P       2 'O5''     103.000    1.200
 p        1 'O3''     2 P       2 OP1     108.000    1.200
 p        1 'O3''     2 P       2 OP2     108.000    1.200
 p        1 'C3''     1 'O3''     2 P       120.000    1.200
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 p        epsil    1 'C4''    1 'C3''    1 'O3''    2 P       190.00  30.0 3
 p        zeta     1 'C3''    1 'O3''    2 P      2 'O5''     260.00  30.0 3
 p        alpha    1 'O3''    2 P      2 'O5''    2 'C5''     300.00  20.0 3
#
data_link_FOR_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FOR_C-N  1 C       2 N         single      1.329     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FOR_C-N  1 C       2 N       2 CA      121.700    3.000
 FOR_C-N  1 O       1 C       2 N       123.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 FOR_C-N  var1     1 O      1 C      2 N      2 CA         .00  30.0 2
#
data_link_FOR_C-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FOR_C-C  1 C       2 C         single      1.521     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FOR_C-C  1 C       2 C       2 O       124.100    3.000
 FOR_C-C  1 O       1 C       2 C       129.100    3.000
#
data_link_FOR-LYZ
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FOR-LYZ  1 NZ      2 C         single      1.329     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FOR-LYZ  2 C       1 NE      1 CE      111.000    3.000
 FOR-LYZ  2 O       2 C       1 NZ      120.000    3.000
 FOR-LYZ  2 OXT     2 C       1 NZ      120.000    3.000
 FOR-LYZ  2 O       2 C       2 OXT     120.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 FOR-LYZ  var1     1 CD     1 CE     1 NZ     2 C       180.00  30.0 2
 FOR-LYZ  var2     1 CE     1 NZ     2 C      2 OXT     180.00  30.0 2
#
data_link_ACE_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ACE_C-N  1 C       2 N         single      1.329     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ACE_C-N  1 C       2 N       2 CA      121.700    3.000
 ACE_C-N  1 O       1 C       2 N       123.000    3.000
 ACE_C-N  1 CH3     1 C       2 N       116.200    3.000
 ACE_C-N  1 C       2 N       2 H       124.300    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ACE_C-N  omega    1 CH3    1 C      2 N      2 CA      180.00   5.0 2
 ACE_C-N  phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
#
data_link_AHT-ALA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 AHT-ALA  1 N2      2 CB        single      1.521     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 AHT-ALA  1 N2      2 CB      2 CA      109.900    3.000
 AHT-ALA  1 C2      1 N2      2 CB      119.300    3.000
#
data_link_DFO-NME
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO-NME  1 C       2 N         single      1.308     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO-NME  1 C       2 N       2 CH3     123.400    3.000
 DFO-NME  1 O       1 C       2 N       126.200    3.000
#
data_link_DFO_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_C-N  1 O       1 C       2 N       129.100    3.000
 DFO_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_DFO_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_N-C  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_N-C  1 O       1 C       2 N       129.100    3.000
 DFO_N-C  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA-NME
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA-NME  1 C       2 N         single      1.308     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA-NME  1 C       2 N       2 CH3     123.400    3.000
 STA-NME  1 O       1 C       2 N       126.200    3.000
#
data_link_STA_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_C-N  1 O       1 C       2 N       129.100    3.000
 STA_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_N-C  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_N-C  1 O       1 C       2 N       129.100    3.000
 STA_N-C  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA_DFO
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_DFO  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_DFO  1 O       1 C       2 N       129.100    3.000
 STA_DFO  1 C       2 N       2 CA      119.300    3.000
#
data_link_DFO_STA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_STA  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_STA  1 O       1 C       2 N       129.100    3.000
 DFO_STA  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA_STA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_STA  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_STA  1 O       1 C       2 N       129.100    3.000
 STA_STA  1 C       2 N       2 CA      119.300    3.000
#
data_link_DFO_DFO
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_DFO  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_DFO  1 O       1 C       2 N       129.100    3.000
 DFO_DFO  1 C       2 N       2 CA      119.300    3.000
#
data_link_IVA_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 IVA_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 IVA_C-N  1 O       1 C       2 N       129.100    3.000
 IVA_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_BOC_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BOC_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BOC_C-N  1 O1      1 C       2 N       129.100    3.000
 BOC_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_NME_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NME_N-C  1 C       2 N         single      1.308     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NME_N-C  1 O       1 C       2 N       126.200    3.000
 NME_N-C  1 C       2 N       2 CH3     123.400    3.000
#
data_link_LINK_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 LINK_C-N 1 C       2 N         single      1.329     .020
#
data_link_LINK_CNp
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 LINK_CNp 1 C       2 N         single      1.329     .020
#
data_link_LINK_CpN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 LINK_CpN 1 C       2 N         single      1.329     .020
#
data_link_BETA1-2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-2  1 O2      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-2  1 C2      1 O2      2 C1      108.700    3.000
 BETA1-2  1 O2      2 C1      2 O5      112.300    3.000
 BETA1-2  1 O2      2 C1      2 C2      109.470    3.000
 BETA1-2  1 O2      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-2  BETA_1   1 O2     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-2  BETA_2   1 C2     1 O2     2 C1     2 C2         .00  20.0 1
 BETA1-2  BETA_3   1 C1     1 C2     1 O2     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-2    2 C1      1 O2      2 O5      2 C2      positiv
#
data_link_BETA1-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-3  1 O3      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-3  1 C3      1 O3      2 C1      108.700    3.000
 BETA1-3  1 O3      2 C1      2 O5      112.300    3.000
 BETA1-3  1 O3      2 C1      2 C2      109.470    3.000
 BETA1-3  1 O3      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-3  BETA_1   1 O3     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-3  BETA_2   1 C3     1 O3     2 C1     2 C2         .00  20.0 1
 BETA1-3  BETA_3   1 C2     1 C3     1 O3     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-3    2 C1      1 O3      2 O5      2 C2      positiv
#
data_link_BETA2-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA2-3  1 C2      2 O3        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA2-3  1 C2      2 O3      2 C1      108.700    3.000
 BETA2-3  1 C1      1 C2      2 O3      112.300    3.000
#
data_link_BETA1-4
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-4  1 O4      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-4  1 C4      1 O4      2 C1      108.700    3.000
 BETA1-4  1 O4      2 C1      2 O5      112.300    3.000
 BETA1-4  1 O4      2 C1      2 C2      109.470    3.000
 BETA1-4  1 O4      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-4  BETA_1   1 O4     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-4  BETA_2   1 C4     1 O4     2 C1     2 C2         .00  20.0 1
 BETA1-4  BETA_3   1 C3     1 C4     1 O4     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-4    2 C1      1 O4      2 O5      2 C2      positiv
#
data_link_BETA1-6
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-6  1 O6      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-6  1 C6      1 O6      2 C1      108.700    3.000
 BETA1-6  1 O6      2 C1      2 O5      112.300    3.000
 BETA1-6  1 O6      2 C1      2 C2      109.470    3.000
 BETA1-6  1 O6      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-6  BETA_1   1 O6     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-6  BETA_2   1 C6     1 O6     2 C1     2 C2         .00  20.0 1
 BETA1-6  BETA_3   1 C5     1 C6     1 O6     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-6    2 C1      1 O6      2 O5      2 C2      positiv
#
data_link_ALPHA1-2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-2 1 O2      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-2 1 C2      1 O2      2 C1      108.700    3.000
 ALPHA1-2 1 O2      2 C1      2 O5      112.300    3.000
 ALPHA1-2 1 O2      2 C1      2 C2      109.470    3.000
 ALPHA1-2 1 O2      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-2 ALPHA_1  1 O2     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-2 ALPHA_2  1 C2     1 O2     2 C1     2 C2         .00  20.0 1
 ALPHA1-2 ALPHA_3  1 C1     1 C2     1 O2     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-2   2 C1      1 O2      2 O5      2 C2      negativ
#
data_link_ALPHA1-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-3 1 O3      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-3 1 C3      1 O3      2 C1      108.700    3.000
 ALPHA1-3 1 O3      2 C1      2 O5      112.300    3.000
 ALPHA1-3 1 O3      2 C1      2 C2      109.470    3.000
 ALPHA1-3 1 O3      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-3 ALPHA_1  1 O3     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-3 ALPHA_2  1 C3     1 O3     2 C1     2 C2         .00  20.0 1
 ALPHA1-3 ALPHA_3  1 C2     1 C3     1 O3     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-3   2 C1      1 O3      2 O5      2 C2      negativ
#
data_link_ALPHA2-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA2-3 1 C2      2 O3        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA2-3 1 C2      2 O3      2 C3      108.700    3.000
 ALPHA2-3 1 C1      1 C2      2 O3      112.300    3.000
#
data_link_ALPHA1-4
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-4 1 O4      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-4 1 C4      1 O4      2 C1      108.700    3.000
 ALPHA1-4 1 O4      2 C1      2 O5      112.300    3.000
 ALPHA1-4 1 O4      2 C1      2 C2      109.470    3.000
 ALPHA1-4 1 O4      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-4 ALPHA_1  1 O4     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-4 ALPHA_2  1 C4     1 O4     2 C1     2 C2         .00  20.0 1
 ALPHA1-4 ALPHA_3  1 C3     1 C4     1 O4     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-4   2 C1      1 O4      2 O5      2 C2      negativ
#
data_link_ALPHA1-6
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-6 1 O6      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-6 1 C6      1 O6      2 C1      108.700    3.000
 ALPHA1-6 1 O6      2 C1      2 O5      112.300    3.000
 ALPHA1-6 1 O6      2 C1      2 C2      109.470    3.000
 ALPHA1-6 1 O6      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-6 ALPHA_1  1 O6     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-6 ALPHA_2  1 C6     1 O6     2 C1     2 C2         .00  20.0 1
 ALPHA1-6 ALPHA_3  1 C5     1 C6     1 O6     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-6   2 C1      1 O6      2 O5      2 C2      negativ
#
data_link_MAN-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MAN-SER  1 C1      2 OG        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MAN-SER  1 C1      2 OG      2 CB      108.700    3.000
 MAN-SER  1 O5      1 C1      2 OG      112.300    3.000
#
data_link_NAG-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NAG-SER  1 C1      2 OG        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NAG-SER  1 C1      2 OG      2 CB      108.700    3.000
 NAG-SER  1 O5      1 C1      2 OG      112.300    3.000
#
data_link_NAG-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NAG-THR  1 C1      2 OG1       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NAG-THR  1 C1      2 OG1     2 CB      108.700    3.000
 NAG-THR  1 O5      1 C1      2 OG1     112.300    3.000
#
data_link_MAN-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MAN-THR  1 C1      2 OG1       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MAN-THR  1 C1      2 OG1     2 CB      108.700    3.000
 MAN-THR  1 O5      1 C1      2 OG1     112.300    3.000
#
data_link_NAG-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NAG-ASN  1 C1      2 ND2       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NAG-ASN  1 C1      2 ND2     2 CG      121.000    3.000
 NAG-ASN  1 C1      2 ND2     2 HD2     119.000    3.000
 NAG-ASN  1 O5      1 C1      2 ND2     112.300    3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 NAG-ASN    plane1    1 C1         .020
 NAG-ASN    plane1    2 ND2        .020
 NAG-ASN    plane1    2 CG         .020
 NAG-ASN    plane1    2 OD1        .020
 NAG-ASN    plane1    2 CB         .020
 NAG-ASN    plane1    2 HD21       .020
#
data_link_MAN-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MAN-ASN  1 C1      2 ND2       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MAN-ASN  1 C1      2 ND2     2 CG      108.700    3.000
 MAN-ASN  1 O5      1 C1      2 ND2     112.300    3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 MAN-ASN    plane1    1 C1         .020
 MAN-ASN    plane1    2 ND2        .020
 MAN-ASN    plane1    2 CG         .020
 MAN-ASN    plane1    2 OD1        .020
 MAN-ASN    plane1    2 CB         .020
 MAN-ASN    plane1    2 HD21       .020
#
data_link_XYS-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYS-THR  1 C1      2 OG1       single      1.413     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYS-THR  1 C1      2 OG1     2 CB      118.700    3.000
 XYS-THR  1 O5      1 C1      2 OG1     116.100    3.000
#
data_link_XYS-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYS-SER  1 C1      2 OG        single      1.413     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYS-SER  1 C1      2 OG      2 CB      118.700    3.000
 XYS-SER  1 O5      1 C1      2 OG      116.100    3.000
#
data_link_XYS-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYS-ASN  1 C1      2 ND2       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYS-ASN  1 C1      2 ND2     2 CG      118.700    3.000
 XYS-ASN  1 O5      1 C1      2 ND2     116.100    3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 XYS-ASN    plane1    1 C1         .020
 XYS-ASN    plane1    2 ND2        .020
 XYS-ASN    plane1    2 CG         .020
 XYS-ASN    plane1    2 OD1        .020
 XYS-ASN    plane1    2 CB         .020
 XYS-ASN    plane1    2 HD21       .020
#
data_link_XYPa-XYP

loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYPa-XYP 1 C1B    2 O4B       single      1.426    0.020

loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYPa-XYP 2 C4B    2 O4B    1 C1B     111.800    3.000
 XYPa-XYP 2 O4B    1 C1B    1 H1B     109.470    3.000
 XYPa-XYP 2 O4B    1 C1B    1 C2B     109.470    3.000
 XYPa-XYP 2 O4B    1 C1B    1 O5B     109.470    3.000

loop_
_chem_link_chir.link_id
_chem_link_chir.id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 XYPa-XYP chir_08  1 C1B    2 O4B    1 C2B    1 O5B       both
#
data_link_ZN-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ZN-CYS   1 ZN      2 SG        single      2.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ZN-CYS   1 ZN      2 SG      2 CB      109.000    3.000
#
data_link_FE-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FE-CYS   1 FE      2 SG        single      2.260     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FE-CYS   1 FE      2 SG      2 CB      109.470    3.000
#
data_link_SFN-TYR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 SFN-TYR  1 S       2 OH        single      1.669     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 SFN-TYR  1 S       2 OH      2 CZ      120.000    3.000
 SFN-TYR  1 O3      1 S       2 OH       98.000    3.000
#
data_link_CH2-N2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CH2-N2   1 CH2     2 N2        single      1.465     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 CH2-N2   1 CH2     2 N2      2 C2      111.100    3.000
#
data_link_DM1-CH2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DM1-CH2  1 N3*     2 CH2       single      1.529     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DM1-CH2  1 C3*     1 N3*     2 CH2     117.400    3.000
#
data_link_CH3-N1
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CH3-N1   1 C       2 N1        single      1.465     .020
#
data_link_CH3-O2*
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CH3-O2*  1 C       2 O2*       single      1.410     .020
#
data_link_MG-O1P
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MG-O1P   1 MG      2 O1P       single      2.180     .020
#
data_link_MG-O2P
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MG-O2P   1 MG      2 O2P       single      2.180     .020
#
data_link_BR-C5
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BR-C5    1 BR      2 C5        single      1.820     .020
#
data_link_ILG_CD-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ILG_CD-N 1 CD      2 N         .           1.330     .020
#
data_link_ILG_CD-p
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ILG_CD-p 1 CD      2 N         .           1.330     .020
#
data_link_symmetry
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 symmetry 0 .       0 .         .            .000     .020
#
data_link_ALASNN
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALASNN      1      C      2      N3      single      1.330      0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALASNN      2      C3      2      N3      1      C      121.500      3.000
ALASNN      2      HN31      2      N3      1      C      120.000      3.000
ALASNN      2      N3      1      C      1      O      123.000      3.000
ALASNN      2      N3      1      C      1      CA      116.500      3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
ALASNN      plan-1      1      C      0.020
ALASNN      plan-1      1      CA      0.020
ALASNN      plan-1      1      O      0.020
ALASNN      plan-1      2      N3      0.020
ALASNN      plan-1      2      C3      0.020
ALASNN      plan-1      2      HN31      0.020
#

data_link_ACYSNN
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ACYSNN      1      CH3      2      N1      single      1.455      0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ACYSNN      2      C2      2      N1      1      CH3      127.000      3.000
ACYSNN      1      CH3      2      N1      2      C5      127.000      3.000
ACYSNN      2      N1      1      CH3      1      HH31      109.470      3.000
ACYSNN      2      N1      1      CH3      1      HH32      109.470      3.000
ACYSNN      2      N1      1      CH3      1      C      109.500      3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
ACYSNN      plan-3      2      N1      0.020
ACYSNN      plan-3      1      CH3      0.020
ACYSNN      plan-3      2      C5      0.020
ACYSNN      plan-3      2      C2      0.020
#

data_mod_CYS-SS
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 CYS-SS   delete   HG     .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 CYS-SS   delete   HG     n/a    .        .      .

data_mod_NH3
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH3      change   N      N      .    NT3    -1.000
 NH3      add      .      H1     H    HNT3     .000
 NH3      add      .      H2     H    HNT3     .000
 NH3      add      .      H3     H    HNT3     .000
 NH3      delete   H      .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH3      change   N      n/a    .        CA     START
 NH3      add      H1     N      .        .      .
 NH3      add      H2     N      .        .      .
 NH3      add      H3     N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH3      add      N       H1        single       .960     .020
 NH3      add      N       H2        single       .960     .020
 NH3      add      N       H3        single       .960     .020
 NH3      change   N       CA        single      1.491     .021
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH3      add      H2      N       H3      109.470    3.000
 NH3      add      H3      N       CA      109.470    3.000
 NH3      add      H2      N       CA      109.470    3.000
 NH3      add      H1      N       H2      109.470    3.000
 NH3      add      H1      N       H3      109.470    3.000
 NH3      add      H1      N       CA      109.470    3.000
#
data_mod_NH1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH1      change   N      N      .    NH1      .000
 NH1      add      .      HN     H    HNH1     .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH1      change   N      n/a    .        CA     START
 NH1      add      HN     N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH1      add      N       HN        single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH1      add      HN      N       CA      120.000    3.000
 NH1      add      HN      N       CD      120.000    3.000
#
data_mod_NH2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH2      change   N      N      .    NH2      .000
 NH2      add      .      HN1    H    HNH2     .000
 NH2      add      .      HN2    H    HNH2     .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH2      change   N      n/a    .        CA     START
 NH2      add      HN1    N      .        .      .
 NH2      add      HN2    N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH2      add      N       HN1       single       .960     .020
 NH2      add      N       HN2       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH2      add      HN1     N       CA      109.470    3.000
 NH2      add      HN2     N       CD      109.470    3.000
 NH2      add      HN1     N       HN2     109.470    3.000
#
data_mod_NH2N
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH2N     change   N      N      .    NH2      .000
 NH2N     add      .      HN1    H    HNH2     .000
 NH2N     add      .      HN2    H    HNH2     .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH2N     change   N      n/a    .        CA     START
 NH2N     add      HN1    N      .        .      .
 NH2N     add      HN2    N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH2N     add      N       HN1       single       .960     .020
 NH2N     add      N       HN2       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH2N     add      HN1     N       CA      109.470    3.000
 NH2N     add      HN2     N       CN      109.470    3.000
 NH2N     add      HN1     N       HN2     109.470    3.000
#
data_mod_COO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 COO      change   C      C      .    C        .000
 COO      change   O      O      .    OC      -.500
 COO      add      .      OXT    O    OC      -.500
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 COO      add      OXT    C      .        .      END
 COO      change   C      n/a    .        OXT    .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 COO      change   C       O         deloc       1.231     .020
 COO      add      C       OXT       deloc       1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 COO      change   CA      C       O       121.000    3.000
 COO      add      CA      C       OXT     121.000    3.000
 COO      add      O       C       OXT     118.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 COO      add      psi      N      CA     C      OXT     160.00  30.0 2
loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
 COO        add       oxt      C          .020
 COO        add       oxt      CA         .020
 COO        add       oxt      O          .020
 COO        add       oxt      OXT        .020
#
data_mod_AA-STAND
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 AA-STAND change   N      N      .    NH1     0.000
 AA-STAND delete   H      .      .    .        .000
 AA-STAND delete   HN     .      .    .        .000
 AA-STAND delete   H1     .      .    .        .000
 AA-STAND delete   H2     .      .    .        .000
 AA-STAND delete   H3     .      .    .        .000
 AA-STAND delete   HN1    .      .    .        .000
 AA-STAND delete   HN2    .      .    .        .000
 AA-STAND delete   HN3    .      .    .        .000
 AA-STAND delete   OXT    .      .    .        .000
 AA-STAND delete   HXT    .      .    .        .000
 AA-STAND add      .      H      H    HNH1    0.000
 AA-STAND change   C      C      .    C       0.000
 AA-STAND change   O      O      .    O       0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 AA-STAND change   N      n/a    .        .      START
 AA-STAND change   C      CA     .        .      END
 AA-STAND add      H      N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 AA-STAND add      N       H         single      1.010     .020
 AA-STAND change   N       CA        single      1.458     .021
 AA-STAND change   C       O         double      1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 AA-STAND add      H       N       CA      114.000    3.000
 AA-STAND change   CA      C       O       120.800    1.700
#
data_mod_AA-STPRO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 AA-STPRO change   N      N      .    N       0.000
 AA-STPRO delete   H      .      .    .        .000
 AA-STPRO delete   HN     .      .    .        .000
 AA-STPRO delete   H1     .      .    .        .000
 AA-STPRO delete   H2     .      .    .        .000
 AA-STPRO delete   H3     .      .    .        .000
 AA-STPRO delete   HN1    .      .    .        .000
 AA-STPRO delete   HN2    .      .    .        .000
 AA-STPRO delete   HN3    .      .    .        .000
 AA-STPRO delete   OXT    .      .    .        .000
 AA-STPRO delete   HXT    .      .    .        .000
 AA-STPRO change   C      C      .    C       0.000
 AA-STPRO change   O      O      .    O       0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 AA-STPRO change   N      n/a    .        .      START
 AA-STPRO change   C      CA     .        .      END
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 AA-STPRO change   N       CA        single      1.458     .021
 AA-STPRO change   C       O         double      1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 AA-STPRO change   CA      C       O       120.000    1.700
#
data_mod_NA-STAND
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NA-STAND delete   O3T    .      .    .        .000
 NA-STAND delete   O3P    .      .    .        .000
 NA-STAND delete   HOP1   .      .    .        .000
 NA-STAND delete   HOP2   .      .    .        .000
 NA-STAND delete   HOP3   .      .    .        .000
 NA-STAND change   'O3''  .      .    OC2      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NA-STAND add      P      n/a    .        .      START
#
data_mod_CM-COO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 CM-COO   change   C      C      .    C       0.000
 CM-COO   change   O      O      .    OC     -0.500
 CM-COO   add      .      OXT    O    OC     -0.500
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 CM-COO   add      OXT    C      .        .      END
 CM-COO   change   C      n/a    .        OXT    .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 CM-COO   change   C       O         deloc       1.231     .020
 CM-COO   add      C       OXT       deloc       1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 CM-COO   change   CM      C       O       121.000    3.000
 CM-COO   add      CM      C       OXT     121.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 CM-COO   add      psi      CH     CM     C      OXT     160.00  30.0 2
#
data_mod_5*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 5*END    delete   P      .      .    .        .000
 5*END    delete   OP1    .      .    .        .000
 5*END    delete   OP2    .      .    .        .000
 5*END    delete   OP3    .      .    .        .000
 5*END    change   'O5''    'O5''    .    OH1     0.000
 5*END    add      .      'HO5''   H    HOH1    0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 5*END    delete   P      n/a    .        .      .
 5*END    delete   O1P    n/a    .        .      .
 5*END    delete   O2P    n/a    .        .      .
 5*END    change   'O5''    n/a    .        'C5''    START
 5*END    add      'HO5''   'O5''    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 5*END    add      'O5''     'HO5''      single       .980     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 5*END    add      'C5''     'O5''     'HO5''    120.000    3.000
#
data_mod_3*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 3*END    change   'O3''    'O3''    .    OH1     0.000
 3*END    add      .      'HO3''   H    HOH1     0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 3*END    change   'O3''    'C3''    .        .      END
 3*END    add      'HO3''   'O3''    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 3*END    add      'O3''     'HO3''      single       .980     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 3*END    add      'C3''     'O3''     'HO3''    120.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 3*END    add      hh       'C4''    'C3''    'O3''    'HO3''       .00  30.0 3
#
data_mod_p5*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 p5*END   change      OP3      OP3    O    OP      -.330
#
data_mod_p3*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 p3*END   change   'O3''    'O3''    .    OH1     0.000
 p3*END   add      .      'HO3''   H    HOH1     0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 p3*END   change   'O3''    'C3''    .        .      END
 p3*END   add      'HO3''   'O3''    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 p3*END   add      'O3''     'HO3''      single       .980     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 p3*END   add      'C3''     'O3''     'HO3''    120.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 p3*END   add      hh       'C4''    'C3''    'O3''    'HO3''       .00  30.0 3
#
data_mod_FOR-N
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 FOR-N    add      .      H      H    HC1      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 FOR-N    add      H      C      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 FOR-N    add      C       H         single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 FOR-N    add      H       C       O       121.000    3.000
#
data_mod_FOR-C
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 FOR-C    change   O      O      .    OC     -0.500
 FOR-C    add      .      OXT    O    OC     -0.500
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 FOR-C    add      OXT    C      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 FOR-C    change   C       O         deloc       1.231     .020
 FOR-C    add      C       OXT       deloc       1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 FOR-C    add      O       C       OXT     120.000    3.000
#
data_mod_G-N2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 G-N2     delete   N2     .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 G-N2     delete   N2     n/a    .        .      .
#
data_mod_DEL-O1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-O1   delete   O1     .      .    .        .000
 DEL-O1   delete   HO1    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-O1   delete   O1     n/a    .        .      .
 DEL-O1   delete   HO1    n/a    .        .      .
#
data_mod_DEL-O2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-O2   delete   O2     .      .    .        .000
 DEL-O2   delete   HO2    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-O2   delete   O2     n/a    .        .      .
 DEL-O2   delete   HO2    n/a    .        .      .
#
data_mod_DEL-HO2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HO2  delete   HO2    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-HO2  change   O2     n/a    .        .      END
#
data_mod_DEL-HO3
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HO3  delete   HO3    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-HO3  change   O3     n/a    .        .      END
#
data_mod_DEL-HO4
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HO4  delete   HO4    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-HO4  change   O4     n/a    .        .      END
#
data_mod_DEL-HO6
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HO6  delete   HO6    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-HO6  change   O6     n/a    .        .      END
#
data_mod_DEL-OXT
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-OXT  delete   OXT    .      .    .        .000
 DEL-OXT  change   O      .      O    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-OXT  delete   OXT    n/a    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 DEL-OXT  change   C       O         double      1.231     .020
#
data_mod_DEL-HN1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HN1  delete   H2     .      .    .        .000
 DEL-HN1  delete   H3     .      .    .        .000
 DEL-HN1  change   H1     H      .    .        .000
 DEL-HN1  change   N      .      .    NH1      .000
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 DEL-HN1  change   N       H         single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 DEL-HN1  change   H       N       CA      114.000    3.000
#
data_mod_SUG-b-L
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 SUG-b-L     change   C5      C4      O5      C6      negativ
 SUG-b-L     change   C1      O1      O5      C2      positiv
#
data_mod_SUG-a-D
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 SUG-a-D     change   C5      C4      O5      C6      positiv
 SUG-a-D     change   C1      O1      O5      C2      negativ
#
data_mod_SUG-b-D
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 SUG-b-D     change   C5      C4      O5      C6      positiv
 SUG-b-D     change   C1      O1      O5      C2      positiv
#
data_mod_SUG-a-L
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 SUG-a-L     change   C5      C4      O5      C6      negativ
 SUG-a-L     change   C1      O1      O5      C2      negativ
#
data_mod_O1MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 O1MET    change   O1     .      .    O2       .000
 O1MET    delete   HO1    .      .    .        .000
 O1MET    add      .      CM     C    CH3      .000
 O1MET    add      .      HM1    H    HCH      .000
 O1MET    add      .      HM2    H    HGH      .000
 O1MET    add      .      HM3    H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 O1MET    change   O1     C1     .        CM     .
 O1MET    delete   HO1    n/a    .        .      .
 O1MET    add      CM     O1     .        HM3    .
 O1MET    add      HM1    CM     .        .      .
 O1MET    add      HM2    CM     .        .      .
 O1MET    add      HM3    CM     .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 O1MET    add      O1      CM        single      1.420     .020
 O1MET    add      CM      HM1       single       .960     .020
 O1MET    add      CM      HM2       single       .960     .020
 O1MET    add      CM      HM3       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 O1MET    add      C1      O1      CM      120.000    3.000
 O1MET    add      O1      CM      HM1     109.470    3.000
 O1MET    add      O1      CM      HM2     109.470    3.000
 O1MET    add      O1      CM      HM3     109.470    3.000
 O1MET    add      HM2     CM      HM1     109.470    3.000
 O1MET    add      HM3     CM      HM1     109.470    3.000
 O1MET    add      HM3     CM      HM2     109.470    3.000
#
data_mod_S2O4
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 S2O4     change   O4     .      .    O2       .000
 S2O4     delete   HO4    .      .    .        .000
 S2O4     add      .      S      S    S        .000
 S2O4     add      .      O1S    O    O        .000
 S2O4     add      .      O2S    O    O        .000
 S2O4     add      .      O3S    O    O        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 S2O4     change   O4     C4     .        S      .
 S2O4     delete   HO4    n/a    .        .      .
 S2O4     add      S      O4     .        O3S    .
 S2O4     add      O1S    S      .        .      .
 S2O4     add      O2S    S      .        .      .
 S2O4     add      O3S    S      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 S2O4     add      O4      S         single      1.590     .020
 S2O4     add      S       O1S       deloc       1.440     .020
 S2O4     add      S       O2S       deloc       1.440     .020
 S2O4     add      S       O3S       deloc       1.440     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 S2O4     add      C4      O4      S       120.000    3.000
 S2O4     add      O4      S       O1S     109.470    3.000
 S2O4     add      O4      S       O2S     109.470    3.000
 S2O4     add      O4      S       O3S     109.470    3.000
 S2O4     add      O2S     S       O1S     109.470    3.000
 S2O4     add      O3S     S       O1S     109.470    3.000
 S2O4     add      O3S     S       O2S     109.470    3.000
#
data_mod_PEPT-D
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 PEPT-D      change   CA      N       CB      C       positiv
#
data_mod_1MA
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 1MA      change   N1     .      .    NR6      .000
 1MA      add      .      C1     C    CH3      .000
 1MA      add      .      H11    H    HCH      .000
 1MA      add      .      H12    H    HGH      .000
 1MA      add      .      H13    H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 1MA      add      C1     N1     .        H13    .
 1MA      add      H11    C1     .        .      .
 1MA      add      H12    C1     .        .      .
 1MA      add      H13    C1     .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 1MA      add      C1      N1        single      1.465     .020
 1MA      add      C1      H11       single       .960     .020
 1MA      add      C1      H12       single       .960     .020
 1MA      add      C1      H13       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 1MA      add      N1      C1      H11     109.470    3.000
 1MA      add      N1      C1      H12     109.470    3.000
 1MA      add      N1      C1      H13     109.470    3.000
 1MA      add      H12     C1      H11     109.470    3.000
 1MA      add      H13     C1      H11     109.470    3.000
 1MA      add      H13     C1      H12     109.470    3.000
#
data_mod_1MG
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 1MG      change   N1     .      .    NR6      .000
 1MG      add      .      C1A    C    CH3      .000
 1MG      add      .      H1A1   H    HCH      .000
 1MG      add      .      H1A2   H    HGH      .000
 1MG      add      .      H1A3   H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 1MG      add      C1A    N1     .        H1A3   .
 1MG      add      H1A1   C1A    .        .      .
 1MG      add      H1A2   C1A    .        .      .
 1MG      add      H1A3   C1A    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 1MG      add      C1A     N1        single      1.465     .020
 1MG      add      C1A     H1A1      single       .960     .020
 1MG      add      C1A     H1A2      single       .960     .020
 1MG      add      C1A     H1A3      single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 1MG      add      N1      C1A     H1A1    109.470    3.000
 1MG      add      N1      C1A     H1A2    109.470    3.000
 1MG      add      N1      C1A     H1A3    109.470    3.000
 1MG      add      H1A2    C1A     H1A1    109.470    3.000
 1MG      add      H1A3    C1A     H1A1    109.470    3.000
 1MG      add      H1A3    C1A     H1A2    109.470    3.000
#
data_mod_2MG
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 2MG      change   N2     .      .    NH1      .000
 2MG      add      .      C2A    C    CH3      .000
 2MG      add      .      H2A1   H    HCH      .000
 2MG      add      .      H2A2   H    HGH      .000
 2MG      add      .      H2A3   H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 2MG      change   N2     C2     .        C2A    .
 2MG      add      C2A    N2     .        H2A3   .
 2MG      add      H2A1   C2A    .        .      .
 2MG      add      H2A2   C2A    .        .      .
 2MG      add      H2A3   C2A    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 2MG      add      C2A     N2        single      1.465     .020
 2MG      add      C2A     H2A1      single       .960     .020
 2MG      add      C2A     H2A2      single       .960     .020
 2MG      add      C2A     H2A3      single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 2MG      add      C2      N2      C2A     115.000    3.000
 2MG      add      N2      C2A     H2A1    109.470    3.000
 2MG      add      N2      C2A     H2A2    109.470    3.000
 2MG      add      N2      C2A     H2A3    109.470    3.000
 2MG      add      H2A2    C2A     H2A1    109.470    3.000
 2MG      add      H2A3    C2A     H2A1    109.470    3.000
 2MG      add      H2A3    C2A     H2A2    109.470    3.000
#
data_mod_M2G
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 M2G      change   N2     .      .    N        .000
 M2G      add      .      C2A    C    CH3      .000
 M2G      add      .      H2A1   H    HCH      .000
 M2G      add      .      H2A2   H    HGH      .000
 M2G      add      .      H2A3   H    HCH      .000
 M2G      add      .      C2B    C    CH3      .000
 M2G      add      .      H2B1   H    HCH      .000
 M2G      add      .      H2B2   H    HGH      .000
 M2G      add      .      H2B3   H    HCH      .000
 M2G      delete   H21    .      .    .        .000
 M2G      delete   H22    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 M2G      change   N2     C2     .        C2A    .
 M2G      add      C2A    N2     .        H2A3   .
 M2G      add      H2A1   C2A    .        .      .
 M2G      add      H2A2   C2A    .        .      .
 M2G      add      H2A3   C2A    .        .      .
 M2G      add      C2B    N2     .        H2B3   .
 M2G      add      H2B1   C2B    .        .      .
 M2G      add      H2B2   C2B    .        .      .
 M2G      add      H2B3   C2B    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 M2G      add      C2A     N2        single      1.465     .020
 M2G      add      C2A     H2A1      single       .960     .020
 M2G      add      C2A     H2A2      single       .960     .020
 M2G      add      C2A     H2A3      single       .960     .020
 M2G      add      C2B     N2        single      1.465     .020
 M2G      add      C2B     H2B1      single       .960     .020
 M2G      add      C2B     H2B2      single       .960     .020
 M2G      add      C2B     H2B3      single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 M2G      add      C2      N2      C2A     118.000    3.000
 M2G      add      C2      N2      C2B     118.000    3.000
 M2G      add      C2A     N2      C2B     124.000    3.000
 M2G      add      N2      C2A     H2A1    109.470    3.000
 M2G      add      N2      C2A     H2A2    109.470    3.000
 M2G      add      N2      C2A     H2A3    109.470    3.000
 M2G      add      H2A2    C2A     H2A1    109.470    3.000
 M2G      add      H2A3    C2A     H2A1    109.470    3.000
 M2G      add      H2A3    C2A     H2A2    109.470    3.000
 M2G      add      N2      C2B     H2B1    109.470    3.000
 M2G      add      N2      C2B     H2B2    109.470    3.000
 M2G      add      N2      C2B     H2B3    109.470    3.000
 M2G      add      H2B2    C2B     H2B1    109.470    3.000
 M2G      add      H2B3    C2B     H2B1    109.470    3.000
 M2G      add      H2B3    C2B     H2B2    109.470    3.000
#
data_mod_DEL_OP3
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL_OP3  delete   OP3     .      .    .        .000
#
data_mod_DEL_HO3p
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL_HO3p delete   'HO3''     .      .    .        .000

data_mod_O2*MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 O2*MET   change   'O2''    .      .    OC2      .000
 O2*MET   delete   'HO2''   .      .    .        .000
 O2*MET   add      .      C2A    C    CH3      .000
 O2*MET   add      .      H2A1   H    HCH      .000
 O2*MET   add      .      H2A2   H    HGH      .000
 O2*MET   add      .      H2A3   H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 O2*MET   change   'O2''    'C2''    .        C2A    .
 O2*MET   add      C2A    'O2''    .        H2A3   .
 O2*MET   add      H2A1   C2A    .        .      .
 O2*MET   add      H2A2   C2A    .        .      .
 O2*MET   add      H2A3   C2A    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 O2*MET   add      'O2''     C2A       single      1.420     .020
 O2*MET   add      C2A     H2A1      single       .960     .020
 O2*MET   add      C2A     H2A2      single       .960     .020
 O2*MET   add      C2A     H2A3      single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 O2*MET   add      'C2''     'O2''     C2A     120.000    3.000
 O2*MET   add      'O2''     C2A     H2A1    109.470    3.000
 O2*MET   add      'O2''     C2A     H2A2    109.470    3.000
 O2*MET   add      'O2''     C2A     H2A3    109.470    3.000
 O2*MET   add      H2A2    C2A     H2A1    109.470    3.000
 O2*MET   add      H2A3    C2A     H2A1    109.470    3.000
 O2*MET   add      H2A3    C2A     H2A2    109.470    3.000
#
data_mod_C5MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 C5MET    change   C5     .      .    CR6      .000
 C5MET    add      .      C5A    C    CH3      .000
 C5MET    add      .      H5A1   H    HCH      .000
 C5MET    add      .      H5A2   H    HGH      .000
 C5MET    add      .      H5A3   H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 C5MET    add      C5A    C5     .        H5A3   .
 C5MET    add      H5A1   C5A    .        .      .
 C5MET    add      H5A2   C5A    .        .      .
 C5MET    add      H5A3   C5A    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 C5MET    add      C5A     C5        single      1.500     .020
 C5MET    add      C5A     H5A1      single       .960     .020
 C5MET    add      C5A     H5A2      single       .960     .020
 C5MET    add      C5A     H5A3      single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 C5MET    add      C4      C5      C5A     122.000    3.000
 C5MET    add      C6      C5      C5A     118.000    3.000
 C5MET    add      C5      C5A     H5A2    109.470    3.000
 C5MET    add      C5      C5A     H5A3    109.470    3.000
 C5MET    add      H5A2    C5A     H5A1    109.470    3.000
 C5MET    add      H5A3    C5A     H5A1    109.470    3.000
 C5MET    add      H5A3    C5A     H5A2    109.470    3.000
#
data_mod_N7MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 N7MET    change   N7     .      .    NR5      .000
 N7MET    add      .      C7     C    CH3      .000
 N7MET    add      .      H71    H    HCH      .000
 N7MET    add      .      H72    H    HGH      .000
 N7MET    add      .      H73    H    HCH      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 N7MET    add      C7     N7     .        H73    .
 N7MET    add      H71    C7     .        .      .
 N7MET    add      H72    C7     .        .      .
 N7MET    add      H73    C7     .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 N7MET    add      C7      N7        single      1.465     .020
 N7MET    add      C7      H71       single       .960     .020
 N7MET    add      C7      H72       single       .960     .020
 N7MET    add      C7      H73       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 N7MET    add      C5      N7      C7      126.000    3.000
 N7MET    add      C8      N7      C7      126.000    3.000
 N7MET    add      N7      C7      H71     109.470    3.000
 N7MET    add      N7      C7      H72     109.470    3.000
 N7MET    add      N7      C7      H73     109.470    3.000
 N7MET    add      H72     C7      H71     109.470    3.000
 N7MET    add      H73     C7      H71     109.470    3.000
 N7MET    add      H73     C7      H72     109.470    3.000
#
data_mod_RNA-O2*
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 RNA-O2*  delete   'O2''    .      .    .        .000
 RNA-O2*  delete   'HO2''   .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 RNA-O2*  delete   'O2''    n/a    .        .      .
 RNA-O2*  delete   'HO2''   n/a    .        .      .
#
data_mod_XYS-O1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 XYS-O1   delete   O1     .      .    .        .000
 XYS-O1   delete   HO1    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 XYS-O1   delete   O1     n/a    .        .      .
 XYS-O1   delete   HO1    n/a    .        .      .
#
data_mod_B2C
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 B2C      change   N      N      .    NT3    -1.000
 B2C      add      .      H1     H    HNT3    0.000
 B2C      add      .      H2     H    HNT3    0.000
 B2C      add      .      H3     H    HNT3    0.000
 B2C      delete   H      .      .    .        .000
 B2C      change   C      B      B    B        .000
 B2C      change   O      O1     O    O        .000
 B2C      add      .      O2     O    O        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 B2C      change   N      n/a    .        CA     START
 B2C      add      H1     N      .        .      .
 B2C      add      H2     N      .        .      .
 B2C      add      H3     N      .        .      .
 B2C      change   B      CA     .        .      END
 B2C      change   CA     N      .        B      .
 B2C      change   O1     B      .        .      .
 B2C      add      O2     B      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 B2C      add      N       H1        single       .960     .020
 B2C      add      N       H2        single       .960     .020
 B2C      add      N       H3        single       .960     .020
 B2C      change   N       CA        single      1.491     .021
 B2C      change   B       CA        single      1.560     .020
 B2C      change   B       O1        deloc       1.480     .020
 B2C      add      B       O2        deloc       1.480     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 B2C      add      H2      N       H3      109.470    3.000
 B2C      add      H3      N       CA      109.470    3.000
 B2C      add      H2      N       CA      109.470    3.000
 B2C      add      H1      N       H2      109.470    3.000
 B2C      add      H1      N       H3      109.470    3.000
 B2C      add      H1      N       CA      109.470    3.000
 B2C      add      O1      B       O2      112.000    3.000
 B2C      change   CA      B       O1      126.000    3.000
 B2C      add      CA      B       O2      126.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 B2C      add      hhb      N      CA     B      O2         .00  30.0 3
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 B2C         change   CA      N       CB      B       negativ
#
data_mod_B2C_D
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 B2C_D    change   N      N      .    NT3    -1.000
 B2C_D    add      .      H1     H    HNT3    0.000
 B2C_D    add      .      H2     H    HNT3     0.00
 B2C_D    add      .      H3     H    HNT3     0.00
 B2C_D    delete   H      .      .    .        .000
 B2C_D    change   C      B      B    B        .000
 B2C_D    change   O      O1     O    O        .000
 B2C_D    add      .      O2     O    O        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 B2C_D    change   N      n/a    .        CA     START
 B2C_D    add      H1     N      .        .      .
 B2C_D    add      H2     N      .        .      .
 B2C_D    add      H3     N      .        .      .
 B2C_D    change   B      CA     .        .      END
 B2C_D    change   CA     N      .        B      .
 B2C_D    change   O1     B      .        .      .
 B2C_D    add      O2     B      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 B2C_D    add      N       H1        single       .960     .020
 B2C_D    add      N       H2        single       .960     .020
 B2C_D    add      N       H3        single       .960     .020
 B2C_D    change   N       CA        single      1.491     .021
 B2C_D    change   B       CA        single      1.560     .020
 B2C_D    change   B       O1        deloc       1.480     .020
 B2C_D    add      B       O2        deloc       1.480     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 B2C_D    add      H2      N       H3      109.470    3.000
 B2C_D    add      H3      N       CA      109.470    3.000
 B2C_D    add      H2      N       CA      109.470    3.000
 B2C_D    add      H1      N       H2      109.470    3.000
 B2C_D    add      H1      N       H3      109.470    3.000
 B2C_D    add      H1      N       CA      109.470    3.000
 B2C_D    add      O1      B       O2      112.000    3.000
 B2C_D    change   CA      B       O1      126.000    3.000
 B2C_D    add      CA      B       O2      126.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 B2C_D    add      hhb      N      CA     B      O2         .00  30.0 3
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 B2C_D       change   CA      N       CB      B       positiv
#
data_mod_RENAME
#
#
data_mod_TERMINUS
#
#
data_mod_DEL-HD22
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HD22 delete   HD22   .      .    .        .000
#
data_mod_DEL-HG
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HG   delete   HG     .      .    .        .000
#
data_mod_DEL-HG1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-HG1  delete   HG1    .      .    .        .000
#
data_mod_ACYmod
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
ACYmod      delete      HH31      .      H      H      0.0
ACYmod      change      CH3      CH3      C      CH2      0.0
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
ACYmod      delete      HH31      CH3      single      1.059      0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
ACYmod      delete      C      CH3      HH31      109.470      3.000
ACYmod      delete      HH33      CH3      HH31      109.470      3.000
ACYmod      delete      HH32      CH3      HH31      109.470      3.000
#
data_mod_SNNmod
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
SNNmod      delete      HN1      .      H      H      0.0
SNNmod      change      O2      O2      O      O      0.0
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
SNNmod      delete      HN1      N1      single      1.010      0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
SNNmod      delete      C5      N1      HN1      120.000      3.000
SNNmod      delete      HN1      N1      C2      120.000      3.000
loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
SNNmod      delete      plan-1      HN1      0.020
SNNmod      delete      plan-2      HN1      0.020
SNNmod      delete      plan-4      HN1      0.020


data_mod_ALAmod
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
ALAmod      delete      OXT      .      O      OC      0.0
ALAmod      change      C      C      C      C      0.0
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
ALAmod      delete      C      OXT      deloc      1.231      0.020
ALAmod      change      O      C      double      1.220      0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
ALAmod      delete      CA      C      OXT      121.000      3.000
ALAmod      delete      O      C      OXT      118.000      3.000
loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
ALAmod      delete      oxt      OXT      0.020
#
data_mod_SNNmd1
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
SNNmd1      delete      HN31      .      H      H      0.0
SNNmd1      change      O2      O2      O      O      0.0
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
SNNmd1      delete      HN31      N3      single      1.010      0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
SNNmd1      delete      C3      N3      HN31      120.000      3.000
SNNmd1      delete      HN32      N3      HN31      120.000      3.000
loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
SNNmd1      add      plan-2      HN11      0.020
SNNmd1      add      plan-3      HN11      0.020
SNNmd1      add      plan-5      HN11      0.020
SNNmd1      delete      plan-1      HN1      0.020
SNNmd1      delete      plan-2      HN1      0.020
SNNmd1      delete      plan-3      HN32      0.020
SNNmd1      delete      plan-4      HN1      0.020

data_mod_XYPmod1

loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 XYPmod1  delete O4A    .      .    .             .
 XYPmod1  delete HO4A   .      .    .             .

loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 XYPmod1  delete C1B    O4A       single          .        .
 XYPmod1  delete O4A    HO4A      single          .        .

loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 XYPmod1  delete C1B    O4A    HO4A          .        .
 XYPmod1  delete H1B    C1B    O4A           .        .
 XYPmod1  delete C2B    C1B    O4A           .        .
 XYPmod1  delete O5B    C1B    O4A           .        .

loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.id
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
 XYPmod1  delete chir_04  C1B    C2B    O5B    O4A       negativ

data_mod_XYPmod2

loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 XYPmod2  change O4B    .      .    O2            .
 XYPmod2  delete HO4B   .      .    .             .

loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 XYPmod2  delete O4B    HO4B      single          .        .

loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 XYPmod2  delete HO4B   O4B    C4B           .        .