1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762
|
SMILES Name
NCC(=O)O AGLYSL01
O=C([O-])C(O)C(O)C(=O)O AMHTAR01
Cc1nc2[nH+]c(N)nc(N)c2nc1C AMPTRB10
NC(N)=[NH+]CCCC(N)C(=O)[O-] ARGIND11
O=C([O-])C(=O)[O-] BAOXLM01
O=C1SCC1NS(=O)(=O)c1ccc(Br)cc1 BBSPRT10
N#CC(C#N)=C1C(=C(C#N)C#N)C(=C(C#N)C#N)C1=C(C#N)C#N BEVJER10
CC(=O)NC=C[S+2](=O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(=C(C)COC(C)=O)C2C1 BEWCUB
Nc1ccc(S(=O)(=O)[N-]c2cccc[nH+]2)cc1 BEWKUJ04
Cc1[nH+]cc2c(c1[O-])C(O)OC2 BIHKEI01
O=c1[nH]c(=O)n(C2CCCO2)cc1F BIPDEJ02
O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] BIPJUF10
c1ccc(-c2cccc[nH+]2)[nH+]c1 BIPYCL01
Cc1cc(C)n(-c2nc3ccccc3s2)n1 BITNAT10
c1ccc2c(c1)Nc1ccccc1S2 BIYBIU10
CON=C(C(N)=O)c1csc(N)n1.CSC1=NNC(C)S1 BODKOU
Oc1ccc(Br)cc1C=Nc1ccccn1 BSALAP01
CC(C)(C)P(C)(=S)P(C)(=S)C(C)(C)C BUPSLB10
CC(C)(C)P(C)(=S)SP(C)(=S)C(C)(C)C BUPSLD10
N#Cc1cn(C2OC(CO)C(O)C2O)n2ccnc12 BUYTIY10
N#Cc1cnn2ccn(C3OC(CO)C(O)C3O)c12 BUYTOE10
CSCCC(NC=O)C(=O)NC(C(=O)O)C(C)C BUYXEY10
CN1CCOSC1=NC(=O)c1ccccc1 BYITOT02
O=S1(=O)CC=C(c2ccccc2)C1 CABWEH10
O=C[O-] CAFORM07
O=S1(=O)N=C(c2ccccc2)OS(=O)(=O)O1 CAGREH10
CC([NH3+])C(=O)NCC(=O)NCC(=O)[O-] CALXES20
O=C([O-])CC(=O)[O-] CAMALD03
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12)c1csc(N)n1 CEFMEN
CC1OC2C(O)C(O)C(CO)OC2SC1C#N CETROI01
O=P(c1ccccc1)(c1ccccc1)c1ccccc1 CEWCUC10
CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O CEWVIJ10
Oc1cccc2c1-c1c-2cccc1O CEWYIM30
C1OC1C1OC1C1CO1 CIHWUL10
CC1=[NH+]C2CC(=O)C1C(C)C2 CIJXOI10
N#Cc1cnc2cccc3ncnc1-n-3-2 CIKSEU10
COC1OC(CO[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C1O[N+](=O)[O-] CILBII
NC(=S)NN=C(CCC(=O)O)C(=O)O CILDOQ
c1cnnnc1 CILWUP11
COC(=O)C1(NC(=O)c2ccccc2)CC1Cl CIMRUL10
CC1(O)C(=O)C([N+](=O)[O-])=CC(C2CC2)([N+](=O)[O-])C1[N+](=O)[O-] CINVIE
CCOC(=O)c1c(C)nn2c1nnn2C CIPVOM
N#CC(C#N)=C1C(=C(C#N)C#N)C1=C(C#N)C#N CIPYAB10
c1cc2nsnc2c2nsnc12 CISMOG
O=[N+]([O-])c1cc2c(cnn2-c2nnn[nH]2)c([N+](=O)[O-])c1 CISPOJ
CC(=O)Oc1c(Cl)ccc(Cl)c1Cl CITDIS
CCSC(=O)CNC(=O)c1ccccc1 CITNOI10
CCSC(=S)C(C)NC(=O)c1ccccc1 CITPEA10
NC=[NH+]O CITSED10
O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 CIVCEP02
COC(=O)C1C2C(C(=O)OC)C1C21OCCO1 CIVLAU02
O=C1OC2CC(O)CC(C2)O1 CIXWAH
O=C1c2nsnc2C(=O)c2nsnc21 CIYNUT
CC1CC2C=CC(C)[S+2](=O)N2C(=O)O1 CIZFIA
C[Si](C)(C)C1(Cl)[Si](C)(C)C(Cl)([Si](C)(C)C)[Si]1(C)C CIZJAW
N#CN=[N+]([O-])c1ccccn1 CIZWUD
CSC(=C(C#N)c1ccccc1)N(C)C CIZYEP
O=C1NCCN1c1ncc([N+](=O)[O-])s1 CIZZUG
CCOC(=O)C1(C(N)=O)CN1OC COBKIN01
N#CN=C1C=CC(=NC#N)c2ccccc21 COCXUN
c1ccc2c(c1)ccc1nn3nnnc3nc12 COGDEH
Clc1cnn(-c2ccccc2)n1 COGYAY
COC(=N)c1nc(C#N)ns1 COHKOZ
CN(C)c1[nH+]cnc2[nH]c[nH+]c21 COJFIQ
C#CC(O[S+2](C)=O)C(C)(C)C COKDEL
Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1 COKROJ
CP1N2CCCN1CCN1CCCN(CC2)P1C COLZUY
O=C1C=C(Br)C(=O)C2C3C=CC(C3)C12Br COMDIR
N#CC1CC2COC(=O)C12 COMKAQ
O=Cc1c[nH]c2ccccc12 COMWOQ
CN(C)Cc1c[nH]c2ccccc12 COMWUW
CN1C(=O)N(C)C2C3N(C)C(=O)N(C)C(=O)C3(F)C2(F)C1=O CONBAI
COC(N)=S CONFAM
C[N+]1(C)CC[N+](C)(C)C1 CONLIA
CS(=O)(=O)C(Cl)C(=O)c1ccccc1 CORDOC
O=CNC(=S)[S-] CORWUB10
Cn1c2ccccc2sc1=O COSFAR
S=C([S-])NCCNC(=S)[S-] COSSEI
C=CC1=CC=C(C#N)C=CC(OC)=N1 COSWIQ
NNC(=S)Nc1ccc(Cl)cc1 COTMON
O=C([O-])C(=O)CCC(=O)O COTPEG
[O-][N+](=Nc1ccccc1)c1cc[n+]([O-])cc1 COTRIM
CSC(=O)SSSC(=O)SC COVHUQ
CC(C)(C)N=CC=NC(C)(C)C COVMAB
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 COVXIU
CC(C)[NH2+]C(c1ccccc1O)[P+]([O-])([O-])O COWTIR
COP(=O)(OC)C1SCSCS1 COXBAS
CSC(=S)N=C(N)N COXZEU
NC(=O)C1(C(N)=O)CN1c1ccccc1 COYMOS
NN1C(=O)c2ccccc2C1=O COYNAF
CNS(=O)(=O)c1ccccc1-c1nnc(N)s1 COYVIV
Cc1cccc(Cc2c[nH]c[nH+]2)c1C CUBTUO
Cc1cccc2c1C(C)(O)C1OC1C2=O CUCDAF
CC(=O)C12CC1(C(C)=O)C(C)(O)CC2=O CUCHOX
Cn1cnc([N+](=O)[O-])c1Sc1ncccc1O CUCHUD
CC(=NO)C(=NO)N1CC1C(N)=O CUDJAM
COC1([Si](C)(C)C)CCCCC1O CUDNEU
O=[N+]([O-])C(=N[O-])c1ccncc1O CUDPAS
CC1(C)N=NC(=S)N1c1ccccc1 CUDPOG
Nc1[nH+]ccs1 CUDREY
O=C1OC2(c3ccccc31)c1ccc(O)cc1Oc1cc(O)ccc12 CUFFAK
CCOc1[nH]c(=O)c2c(c1C#N)CCCC2 CUGBEL
CC(Cl)(C=C(Cl)C(Cl)C(Cl)(Cl)[N+](=O)[O-])C(=O)O CUGGOA
O=[N+]([O-])C12C3CC4C5C3C1C5C([N+](=O)[O-])([N+](=O)[O-])C42 CUGLOF
CSC(=NO)c1cccc[n+]1C CUJYUB10
CS(=O)(=O)N1OC1c1ccccc1 CULGEV10
[O-][N+]1(CCN2CCCCC2)CCCCC1 CULHIA10
CC(C)C1OP(=O)(Cl)OCC1(C)C CULVEK
CC(=O)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] CUNVAI
COC(=O)C1(Cl)CC1(C#N)SC(C)(C)C CUNVEM
CCC1C2CC(C3OC32)S1(=O)=O CURZIY
[NH3+]C(CSSCCC(=O)O)C(=O)[O-] CUVFOO
CC1(O)CCC(C)(O)P1(=O)O CUVGAB
C[NH2+]N CUVJOS
COc1cc2oc(C(C)=O)cc2c(OC)c1 CUYRAP
N#CN CYANAM01
CC1(C)NC(N)=NC(N)=[N+]1c1ccc(Cl)cc1 CYGUAN01
COc1cc(=NS(=O)(=O)c2ccc(N)cc2)[nH]c(C)n1 DABHAP
FC1(F)C2CC3C(CC21)C3(F)F DABLIB
CC(c1ccccc1)N1CCCOP1(=O)F DACSAB
CC1C(C)(C)P(=S)(N(C)C)C1(C)C DACYIP
O=C1CCC(=O)OC2CCN3CC=C(CO1)C23 DADDAN
C=C1NC(=O)C(N)=C1C(C)=O DADLAV
C=C1OC(=N)C(N)=C1C(C)=O DADLEZ
CNN=Nc1ccc(C)cc1 DAFKIE
Nc1nonc1[N+](=O)[O-] DAFPUV
CON(N(OC)S(C)(=O)=O)S(C)(=O)=O DAGTUA
CN(C)C(=O)c1cccc(=O)n1O DAHBAP
C[Si](C)(Cl)CC[Si](C)(C)Cl DAHNAB
CC12C(=O)NC(=O)N3CCCN4C=NC1C4C32 DAJXER
CC(=O)C1=C(C)NC([S-])=C(C#N)C1c1ccccc1[N+](=O)[O-] DAKBAS
[N-]=[N+]=Nc1nn2nnnc2c2ccccc21 DAKCEX
O=C(O)CC1c2cc(Cl)ccc2C(=O)NN1c1ccc2snnc2c1 DAKDOI
C1CS[Si]2(S1)SCCS2 DANCUQ
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 DAPSUO03
CN=C1SCC2CSC(c3nc[nH]c3C)N12 DARDEF
CCN(CC)C(=P[Si](C)(C)C)N(C)C DARPOB10
Cc1cc(=S)n(-c2ccccc2)n1C DARXID
CCN1N=Nc2ccccc2C1O DARZEB
CC1([N+](=O)[O-])C(=O)C(C)([N+](=O)[O-])C(C)([N+](=O)[O-])C(Br)=C1Br DAVWEC
CC1=C([N+](=O)[O-])C(C)([N+](=O)[O-])C(C)([N+](=O)[O-])C(=O)C1(C)[N+](=O)[O-] DAVXED
CN=[N+]([O-])C1=C(NC)C(F)(F)C1(F)F DAWXII
O=c1cc(Cl)c2ccccc2o1 DAWYUV
O=P1(OP2(=O)OCCCO2)OCCCO1 DAYWEF
O=C1C2(CC2)C(=O)C2(CC2)C(=O)C12CC2 DAZVEF
O=C([O-])C=CC(=O)O DEBMOM01
O=C([O-])C1[NH2+]CCc2c(O)noc21 DECJAW
CN1C=C(C(N)=O)C(=O)N2CCCCC12 DECKUR
CN(C)c1oc2ccccc2[n+]1C DECRIM
CC1(Cl)c2cc(Cl)cc(Cl)c2NC1=O DEDCIY
CC(C)(C)OC(=O)C#CN1C(=O)CC1CI DEDSIO
C[N+]([O-])=NNc1ccc(C(N)=O)cc1 DEFGIE
CC(=O)N1C(=O)N([N+](=O)[O-])C2C1N([N+](=O)[O-])C(=O)N2C(C)=O DEFLEF
CNc1nsc(N)[n+]1C DEFPUZ
CN(C)c1nnn(-c2ccccc2)c(=O)n1 DEFTUD
Cc1ccc(N[N+]2=NC(N(C)C)=NC2=O)cc1 DEFVAL
NC1=C(C(=S)S)CCC1 DEFYUI
C[N+](C)=C(N)Cl DEGLUW
Cc1ccc2c(c1)CN1CN2Cc2cc(C)ccc21 DEGRIQ
CN1C(=O)NC(=O)C12OC(=O)[N-]C2=O DEKRUG
NC(=O)c1ncn2c1nnn(CCCl)c2=O DEMBIG
c1cnc2c(c1)Oc1nccnc1S2 DEPKEO
CN(C)C1=[N+](N=C([O-])C(F)(F)F)C(=O)NC1(C)C DERZUV
CCOC(=O)c1ncsc1N DESWUT
C=C(N)C#N DESYOP
CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 DEWHOC
C[Si](C)(C)N1C=CN([Si](C)(C)C)C=C1 DEWJEU
CC(O)C1C(=O)NC1c1ccccc1 DEXCIS
O=CNC(=O)c1ccn2c1NC(=O)CC2 DEXGIW
FC12C3CC(F)(F)C1(F)C3CC2(F)F DEZDUH
CS(=O)(=O)C1=NC=CC2C=CC=CC1C2 DEZNIF
O=C1OCC2=C(Cl)C=CC=C(Cl)N12 DEZXEL
Nc1ncnc2c1ncn2C1C=CC(CO)O1 DHOADS01
c1cn(Cc2cc3ccccc3c3sccc32)c[nH+]1 DICKIJ
[O-][n+]1oncc1-c1ccccc1 DICPUA
[O-][n+]1cc(-c2ccccc2)no1 DICRAI
CN(C)[Si](C)(C)C DICYIX
CCN(CC)C(Cl)=NC(=O)C(Cl)(Cl)C(=O)Cl DICYOD
COC(=O)C(O)C(O)C1CC=NO1 DIDYOE
O=[N+]([O-])c1ccccc1[S+2](=O)c1ccccc1[N+](=O)[O-] DIFSIU
S=C([S-])NNC(=S)[S-] DIGCOL
CSC(=S)SCCSC(=S)SC DIGCUR
O=C(NC1C(=O)OC1Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O DIGLEK
CC1=CC(=O)c2cnn(C)c2C1=O DIHTET
CC1C(C)(C)N(C(=O)C(Cl)(Cl)Cl)S1(=O)=O DIKGAF
CC1C(C)(C)OC(C(Cl)(Cl)Cl)=NS1(=O)=O DIKGEJ
ON1C23CCCCC2NC2CCCCC21ON3 DIKWID
O=CC1=CCC2C1C(=O)C2(Cl)Cl DIKYUR
CC(C)=C1C(=O)NC1OC(=O)C(C)(C)C DILCOQ
O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)s1 DIMYIH10
Cc1cc(=O)nc2n1C1OC(CO)C(O)C1O2 DIPDAH10
Nc1[nH]c(CC[NH3+])c[nH+]1 DIPDIP10
CS(=O)(=O)NO DIRMIA
CC1=CC(C)(C)N=C2C=CC(=O)C=C12 DISHES
CCOC([O-])=C(Cl)[N+](=O)[O-] DISJOE
CSC(=[NH2+])NN DITRAZ
O=C(CC1CCC1)c1ccc(Cl)cc1 DITYAG10
CNC1=[NH+]CCSC1=NO DIVJUN
OC1c2ccccc2OC2CCC21 DIVTUX
NC(=[NH2+])NC(N)=O DIVVEJ
O=C(O)C1=C(c2ccccc2)C(=O)C(=Cc2ccccc2)O1 DIVWEK
NNC(NN)=[NH+]N DIWCOB
CN(C)c1nc[nH+]c2[nH]cnc21 DIXJEZ
O=Cc1ccccc1OCC(=O)O DIYDIY
CC(O)C(O)C1CNc2[nH]c(N)[nH+]c(=O)c2[NH2+]1 DIYPOQ
O=C(N1CC1)N1CC1 DIYPUW
CC(=O)C1=CCCC2CCC1[NH2+]2 DIZPUX
COC(=O)C(=O)OC DMEOXA01
S=C([S-])c1ccc(C(=S)[S-])cc1 DOCCIH
N#Cc1nsc(C(Cl)=NSN=C(Cl)c2nc(C#N)ns2)n1 DOCFIK
CC(=NO)C(=NO)n1cccc(C)c1=O DOCWUN
CCS(=O)(=O)N(S(=O)(=O)CC)S(=O)(=O)CC DODNOZ
CCS(=O)(=O)NS(=O)(=O)CC DODNUF
O=S1(=O)CC2C3C=CC3C2C1 DOJPAT
C[NH+](C)C(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-] DONFOB
NC(=O)N1CCS1(=O)=O DOSNOO
S=CN(C=S)c1ccccc1 DOTNIJ
NC1=NS(=O)(=O)NC(=O)C1 DOTVEN
CCOc1ccc(C2(C(=O)O)CC2(Cl)Cl)cc1 DOTWOY
CSc1nc(N)oc(=O)c1C#N DOWDEY
[NH3+]C(C[N+]([O-])=NO)C(=O)[O-] DOXXAP
ON=C1Cc2ccccc21 DOXZOF
C[NH+](C)NC(=O)C(F)(F)[N+](=O)[O-] DOZFON
O=[N+]([O-])Nc1nnc(N[N+](=O)[O-])[n-]1 DOZNIP
Cn1c(=O)n2n(c1=O)C1C=CC2C1 DUBNET
CC1=NN(CO)C(C)N=N1 DUDMUK
N#CC(=NO)c1ccccc1 DUGMUN
CN(S(C)(=O)=O)S(C)(=O)=O DUGWIL01
CC(=O)N1C=CS(=O)(=O)C=C1 DUJHEV
CN1CCOC2(c3ccco3)C1OCCN2C DUJMEA
Nc1n[nH+]c(N)s1 DUKVAG
NC1C(O)OC(CS(=O)(=O)O)C(O)C1O DUKWUB
OCC12OC3CCN(CC1Br)C32 DULTIN
COC1OCC2OC(=S)OC2C1OC DUMHIC
CN(CC1(CN(C)[N+](=O)[O-])COC1)[N+](=O)[O-] DUMPAC
CSC(=C[N+](=O)[O-])Nc1ccccc1Cl DUPHEB
O=S(=O)(c1ccccc1)n1cccc1 DUPTAJ
CC1=CC(C)(C)[N+]([O-])=[N+]1[O-] DURDID
COC1(C2=[NH+]CCN2)COc2ccccc2O1 DUTHIJ
Cc1c(C=Cc2cnccn2)ssc1=S DUVHUX10
Cn1c2n[nH]nc2c(=O)[nH]c1=O DUVXIB
CN1CC[N+](C)(C)P1Cl DUWGAD
CON=C(Nc1nonc1N)C(Cl)(Cl)Cl DUWKUB
O=[N+]([O-])C1=CC(O)C(O)C(CO)O1 DUWRIW
O=C(NO)C(=O)NO DUXTIZ
CC(=O)N1N=C([S+2](C)=O)SC1c1ccccc1 DUXWUO
CC(=O)N1N=C([S+2](C)=O)[S+2](=O)C1c1ccccc1 DUXXAV
CC12CC3(C)OC(C)(C1)N(N)C(C)(C2)N3N DUYNOA
CN(C)C(OC(=CC(=O)c1ccccc1)c1ccccc1)=[N+](C)C DUYPES
CC(C)(C)P1CP(C(C)(C)C)NN1 DUYRAQ
CC(=O)N1N=C(C)C2C3C=CC(C3)P21 FACMIF
O=[N+]([O-])C1OC(CO)C(O)C1O FACREG
N#Cc1occ2cc3c(cc21)OCO3 FACYAJ
O=c1[nH][nH]c2ccccc21 FADMIG
CS(=O)(=O)ON(S(C)(=O)=O)S(C)(=O)=O FADVEL
CS(=N)(=O)CCC([NH3+])C(=O)[O-] FADVUB
CN(C)C(=[N+](C)C)P(=O)([O-])C(N(C)C)=[N+](C)C FAGBUK
CS(=O)(=O)N1C(=O)CC1c1ccccc1 FAGCOF
ClP1Oc2ccccc2O1 FAGLII
O=C1C(=O)C(=O)C1=O FAGVEO
O=C1C([O-])=C(Br)C(=O)C([O-])=C1Br FAGZOC
O=S1(=O)CC2C=CC3c4ccccc4N1C3N2 FAHPUZ
CNc1nc[n+](C)c2c1[nH]c(=O)n2C FAHSUC
CSC(c1ccccc1)=[N+](C)[O-] FAHYUI
CC1=C(c2ccccc2)OS(=O)(=O)NC1=O FAHZET
COc1nc(=O)[nH]c(OC)n1 FAJWIW
CC1OP(=S)(N(C)C)c2ccccc21 FAMHAC
O=C1CCC(=O)N1Br FAMYUN
O=C1NC(=O)NP(=O)([S-])N1 FAPLUD
c1ccn2c(c1)nc1nc3ccccn3c12 FARMAM
N#CC(C#N)=c1c2nsnc2c(=C(C#N)C#N)c2nsnc21 FARSOG
CC(N)=NC(=S)[S-] FARWEA
NN=C(NN)NN FASGUB
CN(C)[P+]1([O-])NN(C)[P+]([S-])(Oc2ccccc2)N(C)N1 FASJIS
COc1cccc(C(=O)N[P+]([O-])(N2CC2)N2CC2)c1 FATLIV
O=c1[nH]c[nH+]c2n[nH]cc21 FAXFUF10
CN1C(=O)c2ccccc2NS1(=O)=O FAXVAB
CCCC[n+]1ccccc1 FAXVEF
O=[N+]([O-])c1cc(C(F)(F)F)cc2nc3ccccn3c21 FAXVIJ
CSC([O-])=C(C#N)C#N FAZBAJ
ClC(=C(Cl)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl FAZKUM
CC(C)(C)N(F)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] FBATNB
CC(C)=C1C=CN(C)N=CC1=O FECXEQ
O=C1CCC([P+]([O-])(O)O)N1 FEGSEP
C=C1CC1C(N)=O FEHDAX
C=C=C1C(=O)NC1Cc1ccccc1 FEJJEJ
C(C1CC1)[NH+]1CC[NH+](CC2CC2)CC1 FEJKIO
OCCNC(=S)c1ccco1 FELYIE
CC(=O)c1ccc(N(O)C(C)=O)cc1 FELYUQ
O=C([O-])C1C2C=CCCCCC21 FEMGEJ
CC(=NO)c1no[n+]([O-])c1C FENCOQ
CNC(=O)c1noc(C)n1 FENHAH
CN(C)C12SCCN1C(=S)NC2(C)C FENJIR
CCC(C)(NC(=S)N(C)C)C1=NCCS1 FENJOX
O=C1N(CCS)C(=S)NC12CCCC2 FENJUD
CN(C)C(=P)N(C)C FENNUH
CC(C)(C)OC(=O)C1CCCN2C(=O)C(=[N+]=[N-])C(=O)N12 FENYIG
CC(=[NH2+])NC(=S)[S-] FEPWAY
N#CSC(F)(F)C(F)(F)SC#N FEPWOM
O=CN(C=O)C=O FESCAH
NC(=NOC(O)C(Cl)(Cl)Cl)c1ccccc1 FESMIZ
C1N2CN3CN1C[NH+](C2)C3 FETRUR
O=C1C2CC(O)C(O)C2C1N1C(=O)CCC1=O FETWOQ
CN1C(=O)NC(=NCl)C(Cl)(Cl)C1O FEVNUP
O=[N+]([O-])N1CCN([N+](=O)[O-])c2nonc21 FEYLUQ
[O-]C(=S)NNC([O-])=S FEZPOP
CC1=NNc2nc(-c3ccccc3)cc(=O)n2N1 FEZRUX
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCO1 FIBLIL
COc1c([N+](=O)[O-])ncn1C FICDOK
C[S+2](=O)C12CC(C)(C)CC(C)(C)C1O2 FIFGUW
NC1CC1 FIGYID
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr FIHXID
N#CC1=C(N)C(C#N)(C#N)CC(C#N)(C#N)C1 FIKJAK
S=c1[nH]c(-c2ccccc2)cs1 FIKZOO10
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 FILGEM
CC1(C)c2ccccc2[S+2](=O)N1O FILNOD
ClC(Cl)(Cl)C1OP2OC(C(Cl)(Cl)Cl)P1C(C(Cl)(Cl)Cl)O2 FINBIN
[NH3+]C1(C(=O)O)CC(CO)C1 FINPEX
CCOC(=O)C1=C(N)C(C)(O)N=C1C FITGIY
N#CC1C(C#N)C1C#N FITSEG
C[n+]1cnc(N)c2[nH]cnc21 FITTIL
Cc1cn(C)cc(C(C)C(C#N)C(N)=S)c1=O FIVNUT
CCCCNC(=O)Nc1nsc2ccccc21 FIVRAD
CC(=O)c1c([O-])on[n+]1-c1ccc(C)cc1 FIXPIL
CC1CS(=O)(c2ccccc2)=NC(=O)O1 FIYBIY
Cc1ccc(S(=O)(=O)N=[S+2]2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1 FIZGEA
CCOC(=O)N=S1(=O)C(Cl)=C(Cl)C(Cl)=C1Cl FIZGOK
COc1nnc(OC)nn1 FIZJED
[NH3+]C1(C(=O)[O-])CC1 FOBJUB01
CNC(=O)C12CC(C1)CN2C(C)=O FODTUN
C[Si]1(C)C[N+]2=C(CCCC2)O1 FOGBIM
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1 FOGVIG01
CCCSc1nc2n(c(=S)n1)CCN2 FOHXEF
Cc1ccc(S(=O)(=O)Cl)cc1 FOHYAC
CCCC1CCOC(C)[S+2]1=O FOJBEL
Cc1ccc(-c2sc(=O)n3c2SCC3=O)cc1 FOJPAV
CC(C)CC1NC(=O)C2CCN2C1=O FONCOA
COC(=O)c1ccc(I)cc1 FORGOI
CC(SC#N)=C(C)[N+](=O)[O-] FORHEZ
ClC12C3C4(Cl)C5(Cl)C(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl FORJIF
CSc1nc(N)n(-c2c(C)cccc2C)n1 FORJUR
CN(C)C(C(=S)[S-])N(C)C FORTAH
[S-][P+](N1CC1)(N1CC1)N1CCN=C1C(Cl)(Cl)Cl FOSDIA
CC1=NC(N)=NC(N)N1 FOVHUT
CC(=O)OC1(C)C2C=C(C)C(=O)C21 FOVJIJ
Cc1[nH+]c2c(OCc3ccccc3)nccn2c1N FOVRAJ
CC1CC(=O)NN=C1c1ccc(-n2cc[nH+]c2)cc1 FOVRUD
CC1(C)N=Nc2c1c1nccn1nc2Cl FOWBEY
COc1ccc(Nc2nn3nnnc3[nH]c2=O)cc1 FOWPOW
O=c1sc(=O)c2sc3c(=O)sc(=O)c3sc12 FOWVES
O=COC1C2CC3C4C(=O)CC(C4C2)C31 FOWZAS
NC(=[NH2+])c1ccccc1 FOYMAH
O=[N+]([O-])c1cc2ccc3c(c2o1)CCCC3 FOYNUC
CN(C)[SiH](Cl)Cl FUCMIZ
c1nc2scnc2s1 FUCMUL
O=[N+]([O-])[O-] FUCTIG01
Cn1cnc2c(ncn2C2OC(CO)C(O)C2O)c1=N FUCWIJ
Nc1nc2[nH]cnc2c(-[n+]2ccccc2)n1 FUCWOP
O=c1c(O)c1O FUDPOJ
C[NH2+]CC#N FUDXUX
CC1(O)C(=O)NC(=O)NC1OO FUFDIT
Nc1nc[nH+]c2c(C3OC(CO)CC3O)n[nH]c21 FUGWIN
CONOC FUHFAP
N#CC(=Cc1ccccc1)[N+](=O)[O-] FUHSEG
NC(=[NH2+])c1nc(N)n(C2OC(CO)C(O)C2O)n1 FULRAF
CCOC(=O)C([N+](=O)[O-])S(=O)(=O)[O-] FUNSIQ
COc1ccc(C(=O)c2ccoc2)cc1 FUNXOB
CC(C)(C)OC(=O)n1n[n+]([O-])c2ccccc21 FUPJUV
CS(=O)(=O)On1nnc2ccccc21 FUPKIK
CON=C(C(=O)n1n[n+]([O-])c2ccccc21)c1csc(N)n1 FUPKOQ
ClC(Cl)=C1SC(C(Cl)(Cl)Cl)OC(C(Cl)(Cl)Cl)S1 FUPTOZ
CC(=O)OC1C(C)(C)C2CC=C(C)C21O FUPZEV
O=CC=C[O-] FUSPEO
CC1(C)NN(c2ccccc2)C1=O FUTCEC
CO[SiH3] FUTZEZ
CC(=O)OC1C2C(OC(C)=O)C3C(OC(C)=O)C1n1n2n13 FUVDOP
CN(C)C(=[OH+])CCCC(=[OH+])N(C)C FUVMUE
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1 FUVNEP
COc1ccc(C=[NH+]O)cc1 FUVXOJ
O=C1OCCN1S(=O)(=O)Nc1ccccc1 FUWMOZ
CC12CP3S[P+]([S-])(C1)SP3C2 FUWTUM
[NH3+]CCC[NH2+]CCSP(=O)([O-])[O-] FUXXAX
COC=C(C#N)S(=O)(=O)C(C#N)=COC FUXZED
CN(C)c1cccc2cccc([NH+](C)C)c21 GADHEY
CC(=O)OC1CC2CC1c1cc([N+](=O)[O-])[n+]([O-])cc12 GAFNUW
CCC(C(=O)O)N(O)C(C)=O GAHPIO
O=S(=O)([O-])[n+]1ccccc1 GAJTEQ
Cc1c2c(n3c1=CCCC3)=C(C)C(=O)O2 GAKGOO
O=[N+]([O-])c1ccc(Cl)c2nonc21 GAKNEL
CC=C1[S+2](=O)CCC[S+2]1=O GAKNIP
CC1=Cc2ccccc2S1(=O)=O GAKPEN
c1scc2c1sc1cscc12 GAKTAN
O=c1cc(O)c1=O GANHUY
O=S1(=O)C(Br)=Cc2ccccc21 GAPMEP
Cc1no[n+]([O-])c1N GAVKOD
Cc1nc(O)c(-c2ccccc2)s1 GAVMEV
CN1CCCO[P+]1([O-])OC(=O)c1ccccc1 GAWWOQ
[NH3+]C1(C(=O)[O-])CC(C(=O)[O-])(S(=O)(=O)c2ccccc2)C1 GEHBOK
NC(=O)C(=O)NSSSNC(=O)C(N)=O GEHPUE
CCOC1=NC23CCCCC2(N=C(OCC)N3Cl)N1Cl GEHXEW
CN(C)C(F)=PC(F)(F)F GEJYOJ
CC(C)(C)NN GEKXEZ
CC1(C#N)CC1(C)C#N GEMCEG
COC1(C#N)CC1(C#N)OC GEMCOQ
CN(C)C1(C#N)CC1(C#N)N(C)C GEMDAD
O=S(=O)([O-])c1[nH]c2ccccc2[nH+]1 GERCUB
Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N GESCIQ
c1ccc2c(c1)C2 GESNIB
Cc1ccc(S(=O)(=O)N(C)C)cc1 GESSUS
[N-]=[N+]=C1C=C([N+](=O)[O-])C=C([N+](=O)[O-])C1=O GETFIU
N#[N+]c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1[O-] GETFOA
[S-][P+]1(Sc2ccccc2)S[P+]([S-])(Sc2ccccc2)S1 GETJOE
O=C1C=CN(c2ccccc2)C1 GEWTAD
O=C(O)Cn1cc[n+](CC(=O)O)c1 GEXGIZ
Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-] GEYWOW
O=[N+]([O-])n1cnc(N=Nc2ncn([N+](=O)[O-])n2)n1 GICTIV01
COC(=O)C12CC(OC1=O)C(Br)(C#N)CC2 GIDJUY
[N-]=[N+]=Nc1ccc2[nH+]c(N)nc(N)c2c1 GIDMEL
NC(=O)NC(=O)Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1 GIDTIW
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 GIFRAO
c1cc2cnc3ccc4ncccc4c3n2c1 GIGCEE
c1cc2sc1CSCCSCCSC2 GIGMUE
COC(=O)C12C3C(=O)C1C32C(=O)OC GIHZEC
O=C1[N-]S(=O)(=O)c2cccc(O)c21 GIJMOB01
O=C1C=Cc2cc(Br)cn21 GIKJIT
CC([NH3+])C(Sc1ccccc1)C(=O)[O-] GIKNOD
O=CC1=COC2OC1OC=C2C=O GIKTUP
ClC1=NC2(Cl)C(Cl)C1(Cl)C1C3CCC(C3)C12 GIMJIV
COC(=O)Cc1cc(=O)nc2sccn21 GINMUL
O=C([O-])C(Cc1ccccc1)C(=O)O GIPHES
CN1CCP2C1(C)P1CCN(C)C21C GIRDOA01
O=c1[nH]c(=O)n2c(=O)[nH]c(=O)n12 GOHVUU
ClC(Cl)(Cl)C1OC(C(Cl)(Cl)Cl)SC(Cl)(C(Cl)(Cl)Cl)S1 GOJCIR
O=[N+]([O-])c1cccnc1Sc1nc[nH]n1 GOJKIZ
Nc1nc2[nH]c[nH+]c2c(=O)[nH]1 GUANCH01
Oc1ccccc1C(=S)N1CCCCC1 HYTPRD01
N#Cc1snc2c1SSSSS2 ISTZCN10
Cc1csc(=S)n1-c1cccc(C)c1C JABGAU
S=c1ssc2cc(Cl)ccc12 JADLIJ
CC1(C)OCC(C2OC(C)(C)OC2C2OC2[N+](=O)[O-])O1 JADXER
CC1(S(C)(=O)=O)OC1c1ccccc1 JAHKOS
COC1=C(c2ccc(Cl)cc2)C1(C)C JAHTOB
ClC12CCCN(CCC1)C2(Cl)Cl JAHYEW
c1ccc2c(c1)P1CCP2CC1 JAKGUX
CNc1ccc(C)cc1N=O JAKJOU
O=[S-](=S)C12CC3CC(CC(C3)C1)C2 JALSOE
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1 JAMREU
COC1C(Sc2ncccn2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(C(C)O)C12 JANDOR
COP(=O)([O-])C(=NO)c1ccccc1 JANMAM
O=C1C(=Cc2cccc([N+](=O)[O-])c2)N=C2SCCN12 JAPFAH
COC(=NN=C(OC)OC)OC JATBIP
Nc1ncnc2nc(Cl)sc21 JATCOW
NC(N)=[NH+]c1nc(CSCCC(N)=NS(N)(=O)=O)cs1 JATLOF
CN(C)Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1 JATMEW
CN(C)Sc1ccccc1[N+](=O)[O-] JAVGAO
Cn1c2c(nc(N)[nH]c2=O)n(C2OC(CO)C(O)C2O)c1=O JAWJIA
OC1CNC1 JAWMAV
C=C(C)C=C=C1CC(O)C2OC2C1O JAWVEI
O=P([O-])(c1ncc[nH]1)c1ncc[nH]1 JAWZEM
CC1(C)C2CCC13CS(=O)(=O)N1OC13C(=O)O2 JAZGOG
NC(=S)c1ncn(C2OC(COS(N)(=O)=O)C(O)C2O)n1 JAZVIP10
Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(S(N)(=O)=O)n1 JAZZOZ10
O=P1(c2ccccc2)Nc2ccccc2N1 JEBFEB01
CC1CN1CC(O)Cn1ccnc1[N+](=O)[O-] JECVES
CNC(=O)ON(C(C)=O)C(=O)NC JECVUI
CCC(N=[N+]=[N-])P1(=O)N(C)C2CCCCC2N1C JECYIZ
CN(C)C(=S)N=c1nc(N(C)C)sc(N(C)C)n1 JEFRAN
COc1nc(N)nc2c1ncn2C JEHCUU01
[NH3+]NS(=O)(=O)c1ccccc1 JEHXOJ
[O-][P+](Cl)(Cl)C1(O)CCCCC1 JELKUG
O=C1c2ccccc2[N+]([O-])=C1c1ncccn1 JELREX
COC(=O)C1=[N+]([O-])c2ccccc2C1=O JELRIB
[NH3+]CC(F)(F)P(=O)([O-])O JEMHIS
FC(F)(F)C1=C(C(F)(F)C(F)(F)F)OCCOC1(F)F JEMWUT
CN[Si](NC)(NC)NC JESFES
CC(O)(P(=O)([O-])O)P(=O)(O)O JETJUN
CC1(C)CC(=O)C(=CNO)C(=O)C1 JEVXIR
O=P1(N(CCCl)CCCl)NC(c2cccnc2)CCO1 JEWFAS
O=c1c(Cl)c2n3c(c(Cl)c(=O)n13)CSC2 JEWPIK
CN(C)c1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 JEXREJ
O=C(O)Cc1c[nH]c2ccc(O)cc12 JEYBUK
Cc1ccc(S(=O)(=O)N2C(CO)C2CO)cc1 JIDHIN
NCC1=[NH+]c2ccccc2S(=O)(=O)N1 JIFYUS
Cc1noc2nsc(N)c12 JIGCIL
CC(C#CC1=C(Cl)C(=O)C(O)=C(Cl)C1=O)=CCl JIGRAS
CC(=NO)[N+](=O)[O-] JIHVEB
O=c1[nH]c(=O)n(C2CC(O)C(O)CO2)cc1I JIKHUG
O=[N+]([O-])c1n[n-]c2ccc([N+](=O)[O-])cc21 JILWUW
CS(=O)(=O)N(O)c1ccccc1 JINDAL
C[N+]1(C)CCc2c[nH]c3ccc(OS(=O)(=O)[O-])c1c23 JINDOZ
CS(=O)(=O)C=CC#N JIRJID
COc1cccc2c1C(O)[N+](C)(C)C2C JISZAM
CC1(C(F)(F)F)OS(=O)(=O)C=C1N1CCCCC1 JITMII
[O-][n+]1ccc(O)c(O)c1-c1c(O)c(O)cc[n+]1[O-] JIWKOP
COC(N)=C(C#N)N=Cc1ccc(O)cc1 JIXBAT
COc1c2oc(=O)cc-2c(F)c(F)c(F)c1F JIYJAC
CCn1c[nH+]cc1[N+](=O)[O-] JIYREO
[O-]c1ccccn1 JIYTOA
CC(C)(C)N(SN(C(C)(C)C)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl JIZWUK
C[Si](C)(CCl)N=C=O JOFDUD
CC1(C2CC2)C2(CC2)C(=O)C1(Cl)Cl KAFXIY
COc1cccc(OC)c1-c1cc(=O)c2ccccc2o1 KAGBOJ
CC1(C)C(=O)N2c3ccccc3SC21C KAKGOS
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C1CC1(Br)Br KAMCUW
C[N+]([O-])=C(Cn1cncn1)c1ccc(Cl)cc1 KAMJAJ
N#CC(C#N)=c1ccc(=C(C#N)C#N)c2nsnc21 KANWEB
CC1(C)OC2C(CO)OC(Nc3nc(Cl)nc4c(Cl)nc(Cl)nc34)C2O1 KANZOO
Cn1cc[n+](C)c1C(=S)[S-] KAPCUZ
CC1(C)C2CC3CC2C(C#N)(C3)S1(=O)=O KARYAD
N#CN(Cc1ccccc1)[N+](=O)[O-] KASBAH
COc1ccc(C#CC(=O)O)cc1OC KASBOV
CC1=C2N=C(c3ccccc3)S(=O)(=O)N=C2N(C)N1 KATNAU
O=[N+]([O-])c1cn([N+](=O)[O-])cn1 KAVFUI
CC(=O)OCC1CC2CC(=O)ON2CO1 KAVTEG
CC1=CC(=CC(=S)C(F)(F)C(F)F)SC(C(F)(F)C(F)F)=C1 KECSIU
Clc1nc(C(Cl)(Cl)Cl)nn1C(Cl)(Cl)C(Cl)(Cl)Cl KECSUG
COc1csc(-c2cc(OC)cs2)c1 KEDYAT
COc1oc(Nc2ccccc2)nc1C#N KEFJEK
CC1(C)OP(=O)([O-])C=C1C(N)=O KEJFOU
CCc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 KEMFAJ
O=S(=O)(Cl)N=C1OC2C=CC3C(C2)C13 KENHOA
[O-][n+]1onc2c1ccc1nnnn12 KEPKIZ
CC(C)(C)[N+]([O-])=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] KESNEB
[N-]=[N+]=Nc1nsnc1N KEWJIF
O=CO KHDFRM11
CSC(=NC(N)=N[N+](=O)[O-])N1CCCC1 KIBDII
Cc1cc(-c2ccccc2)n[n+]([O-])n1 KIBFAC
N#CCCOP(F)F KICCUU
ClC1=C(Cl)C2(Cl)C3CC4C(C3Cl)C1(Cl)C42Cl KICGAE
COC1OCC2O[PH](=O)OC1C2O KICLAJ
ClP1Nc2ccccc2S1 KIGKIU
[O-][N+](c1c(F)c(F)nc(F)c1F)=[N+]([O-])c1c(F)c(F)nc(F)c1F KIKVUV
[O-]C(F)(F)F KIMLEX01
CC(C)(C)SC(C#N)=CN1CC=CCO1 KINKUN
[C-]#[N+]CCCN(CCC[N+]#[C-])CCC[N+]#[C-] KINTUW
CCOC1=NNC(=O)C2C3CC(C4c5ccccc5C43)C12 KINWEJ
[NH3+]C(CC(F)C(=O)[O-])C(=O)O KINWIN
COC(=O)C1ON2OC1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C2([N+](=O)[O-])[N+](=O)[O-] KIRCAP
CNC(=O)C1(C(=O)OC)CN1Cl KIRCOD
Nc1[nH+]cnc2c1ncn2CCOCP(=O)([O-])O KITREK
N=C(SSC(C(F)(F)F)C(F)(F)F)C(N)=S KIYGAA
Nc1[nH][nH]c(=O)c1[N+](=O)[O-] KOBXOO
c1nc(-n2cnnc2)n[nH]1 KOBYOP
N#CC1=C(Nn2c(-c3ccccn3)nnc2-c2ccccn2)C(=O)C(Cl)=C(Cl)C1=O KOBZEG
N#Cc1ccsc1-n1cccc1C=O KOCWUU
CCC(I)C(=O)N1C(C)CCC1C KODFUE
O=NN1CN([N+](=O)[O-])CCN([N+](=O)[O-])C1 KOFKIZ
CCOC(=O)Nc1ncc(-c2ccccc2)o1 KOFMEX
CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O KOFNIC
CC#COS(=O)(=O)c1ccc(C)cc1 KOHVEI
C#COC(=O)c1ccccc1 KOHVIM
Cc1cc(C)n(C(=S)n2nc(C)cc2C)n1 KOJGOF
CN1CC#CCN(C)CC#CC1 KOJKID
Cn1c(N)c(N=O)c(=O)n(C)c1=O KOJZOY
CCOP1(=O)NC(=NC#N)N(C)C1(C)C KOKMIG
ClC(Cl)(Cl)SN=C(c1ccccc1)N(SC(Cl)(Cl)Cl)SC(Cl)(Cl)Cl KOLCUJ
CN(C)C=CC=CC=[N+](C)C MAPMIP03
COSc1ccccc1[N+](=O)[O-] MENBZS01
COC(=O)c1ccccc1[S+2](C)=O METBZC10
CCN(CC)C(=S)[S-] NAESCB01
O=C([O-])C(=O)O NHOXAL06
CC1=C(C)OP(=O)(n2cncn2)O1 PHOSLA10
CC1=C(C)OP(=O)(N=C(N(C)C)N(C)C)O1 PHOSLB10
c1ccc(C2CN3CCSC3=N2)cc1 PIMTAZ01
O=C([O-])c1ccc[nH+]c1C(=O)[O-] QUICNA01
CCOC(=NC(=O)OC)Nc1c[nH]c(=O)[nH]c1=O SABNOY
CCCCCCCSc1ncnc2[nH]cnc21 SACXAV
Cn1c(=O)ccn2c1nc(=O)n(C)c2=O SADXAW
c1nc(-c2cscn2)cs1 SAFFOU
c1csc(-c2nccs2)n1 SAFFUA
[N-]=[N+]=C(C(=O)O)[N+](=O)[O-] SAFKAL
CC(O)C1C(=O)N2C(C(=O)[O-])=C(SCCNC=N)CC12 SAHSOJ
NC=[NH+]CCSc1ccccc1C(=O)[O-] SAHSUP
N#CC12C(=O)C(Cl)=C(Cl)C(=O)C1(C#N)C21c2ccccc2-c2ccccc21 SAKGUG
CC(C)C1N[S+2](=O)C2C(=O)N(C)C(=O)C12 SALVEG
O=S(=O)([N-]C(=S)[S-])c1ccccc1 SAMFUH
C=C1N(C)C(=S)N(C)P1(=S)N(CC)CC SAMXUZ
O=c1cc[nH]c2c1cnn2C1CC(O)C(CO)O1 SANKEX10
CC1C(C(C)(C)C)O[S+2](=O)OC1C(C)(C)C SAVDOI
Nn1ccc(-c2ccccc2)n1 SAWKEG10
c1ccc(CC2=[NH+]CCN2)cc1 SEBPEU01
CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O SECDAF
O=c1[nH]cnc2sc3c(c21)CCCC3 SEFRAW
CC(=S)NP(=S)(OC(C)C)OC(C)C SEFYIL
NC(=S)NN=C(C(=O)[O-])c1ccccc1 SEGFIT
Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc2ccccc2O1 SEGJAP
NNS(=O)(=O)c1ccccc1 SEGLAR
NC(=S)NN=C(C(=O)[O-])C(=O)O SEGNEX
ClC(Cl)(Cl)C12CC(I)(C1)C2 SEGWEG
Cc1cc(C)c(O)c(C[N+](C)(C)[O-])c1 SEHBEM
O=C1C2(CC2)C(=C2CCOC2=O)C12CC2 SEJDAM
CC=C=CC1(C)CCCCC1=NO SEKKIC
Nn1nc2ccccc2n1 SEKPED
Nn1cnc2ccccc21 SEKPIH
O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 SELFIY
CC[N+](CC)(CC)C(F)[S-](=O)=O SEMDIX
COC(=O)C(C#N)=C1NN=NN1c1ccccc1 SEMXOX
O=S1(=O)C=C(c2ccccc2)S(=O)(=O)CC1 SETHAA
FC(F)(F)C1(C(F)(F)F)N=C(Nc2ccccc2)SS1 SETLIM
c1n[nH]c2c[nH+]ccc12 SEYVUN
COC(=S)[N-][N+]1=C(N(C)C)C(C)(C)NC1=O SEYWUO
OC1C(Cl)(Cl)C(=C(Cl)Cl)C2(OC2Cl)C1(Cl)Cl SEZMEP
O=C(O)CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-] SICNUN
CC(=Nc1ccccc1O)c1cccs1 SICPEZ
c1ccc(-n2nc3nccnc3n2)cc1 SICSEC
N#CC(C#N)=c1cc(I)c(=C(C#N)C#N)cc1I SIDFIU
Cn1nn[n+](C)c1C(N=N[N-]S(C)(=O)=O)C(C)(C)C SIDRUS
CCP1C([NH+](C)C)P(CC)C1[NH+](C)C SINMIL
COP(=O)(OC)C1NC(C(C)C)SC1(C)C SIYLOB
N#CC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C2OC21 SIZJIU
NC(=O)c1csc(C2C=CC(CO)O2)n1 SIZWUT
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 SLFNMB04
CN1NC(C)(C)n2cnc([N+](=O)[O-])c2C1=O SOGVOZ
CC(=N[NH+]=C(N)N)C1=C(C)[N+](=C(N)N)N=C1 SOHXOC
CC(=O)N=c1sc(S(N)(=O)=O)nn1C SOJNEK
CC1(C)C(C#N)N2C(=O)C(Br)(Br)C2[S+2]1=O SOMKIO
CCCN1CCC=C2c3nc(N)sc3CCC21 SONZIE
CC(=O)C=c1sc(=C(C#N)C#N)s1 SOPZEC
O=[N+]([O-])c1ccc(-n2nc(Cl)nc2Cl)cc1 SORBIK
NC(N)=S(=O)=O SURDOX02
O=[N+]([O-])c1cnn(Cn2cc([N+](=O)[O-])cn2)c1 TACGIN
O=C([O-])C1(C(O)c2ccncc2)CC[NH2+]1 TACLEO
O=NN1CCN(N=O)c2nonc21 TAFKIU
BrC1C(Br)C2c3ccccc3C1C(Br)C2(Br)Br TAFXIH
O=[N+]([O-])c1ccccc1SCl TAFZIJ
O=C([O-])c1c[nH]c(=O)[nH]c1=O TAGVIG
CC(C)(C#N)N=NC(N)=O TAHMOE
Nc1cc[n+](Oc2ccc([N+](=O)[O-])cn2)cc1 TAJPUP
O=C([O-])C[n+]1cn(N=C([O-])Cc2ccccc2)cn1 TAJSUS
[S-]c1nnns1 TAJVUV
O=C(Sc1nnns1)c1ccccc1 TAJWAC
ClC(Cl)=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl TAKHES
O=S1(=O)[N-]C(=S)c2ccccc21 TAMMAV
N#CC1([N+](=O)[O-])C=C1c1ccccc1 TANHAR
CC1(O)c2ccccc2-[n+]2noc([O-])c21 TAPJUP
N#CC(C#N)c1ccc(N)cc1 TAPSAE
N#CCP(CC#N)CC#N TCYMPH02
CC12C(=O)C(=O)C3(C)C1(C)C23C TMTCHD01
CNNc1ncnc2ncccc21 VABLIT
COC1OC(C=O)C2OC(C)(C)OC12 VABROF
CC(=O)CCn1nc([N+](=O)[O-])nc1N1CC1 VACRUM
Cc1ccc(S(=O)(=O)N2SC(C#N)=C(C#N)S2)cc1 VAJFAN
COC(=S)[S-] VALTEH
O=[S-](=O)C(F)(F)SC(F)(F)[N+]12CCC(CC1)CC2 VALWOU
Nc1ccnn2c1nnc2C1OC(CO)C(O)C1O VAPZOB10
Cc1cc2oc(=O)c(C)cc2o1 VASDOI
CSc1c2c3c(n1C)C(=O)C(=O)C(Cl)=C3NCC2 VATKAC
COP1(=O)CC([N+](=O)[O-])=C(C)C1=[NH+][O-] VAWDUS
NS(=O)(=O)c1ncn(C2OC(CO)C(O)C2O)n1 VAWMOV
CC(NC(C)(C)C(C)(C)Br)=C([N+](=O)[O-])[N+](=O)[O-] VAWWAR
CCOCc1c[nH+]c(C)nc1N VAYKUB
COc1cc(C(=O)c2ncc[nH]2)ccc1O VAZHUZ
CSC(=S)C1=C(SC)SC1(SC)SC VECSAX
Cn1cnc2c1C(N)=NS(=O)(=O)N2C VEDTED
C[Si](C)(C)c1[nH]ncc1[N+](=O)[O-] VEHCOA
O=S1(=O)C=C(CCl)OC(N2CCOCC2)=N1 VEHZOX
COC(=O)C(Cl)(C(=O)OC)c1sc(Cl)c(Cl)c1Cl VEJWOW
CC(=O)[n+]1ccc(N(C)C)cc1 VEKMON
C=C1C2C3C(=C)C4C1C4C(=C)C23 VENYUI
O=[N+]([O-])c1nc(-c2nc([N+](=O)[O-])c([N+](=O)[O-])[nH]2)[nH]c1[N+](=O)[O-] VETWAS
CC12CP(=O)(c3ccccc3)CC1C2(Cl)Cl VEVDIJ
CC(C)Nc1[nH+]c2ccc(F)cc2n2cnnc12 VEWZOM
N#Cc1ccc2oc3ccccc3c2n1 VEXKOY
ON=C(c1ccccc1)c1ccccn1 VEXMOA
C[Si]1(O)CCC[Si](C)(O)O1 VEYBIK
ON=CC(Cl)=NO VEYWAX
O=P1(CCl)COc2ccccc21 VEZBUX
Cn1c(=O)nc(N)n1C1OC(CO)C(O)C1O VICGAP
Nc1nc2c(ncn2C2CC(O)C(CO)O2)c([S+2](N)=O)n1 VICGET
CC1(C)C2CCC1(C(Cl)=S=O)C(=O)C2 VICKIB
c1coc(CNc2nc[nH+]c3nc[nH]c32)c1 VICPOM
CC1=N[NH2+]C(C)(C)C1 VIDKUO
c1ccc2c(c1)[nH]c1c3ccccc3sc21 VIFFEV
CC(C)(O)C(C)(C)n1cc2c(n1)nc[nH]c2=O VIGPEG
c1ccc2nc3c(nc2c1)C1C2C3C12 VIGTUA
CC1(C)N=C(c2ccccc2)SC1=S=O VIHHID
CC1C(C)C1(C(=O)O)[N+](=O)[O-] VIKVIU
O=C1C2C3C4C2C(Br)([N+](=O)[O-])C2C4CC3C12 VIKYAP
[O-][Cl+3]([O-])([O-])[O-] VIMHII
Cc1c[nH+]c2nc(O)c(C)cn2c1=O VIPXAT
CC1(C(=O)C=[N+]=[N-])C(=O)C2CCCCC21 VIRBON
O=C1OCC1=Cc1ccccc1 VIWCOT
Cn1cnc2sncc(=O)c21 VIXRID
CN1[S+2](=O)C(F)(F)[S+2]1=O VIXXOP
COC(=O)C1(Br)OC2C1OC1OC(C)(C)OC21 VIYPAU
CC1(C)CC(=O)n2c3ccccc3nc2N1 VOBLAZ
O=S1(=O)Cc2ccccc2CN1 VOBWOY
O=C(O)CC1(c2ccccc2)CC1(Br)Br VOFBOH
ClC1(Cl)CC1(CBr)c1ccccc1 VOFCAU
CC(O)=[OH+] VOJGEG
Nc1cccc[n+]1C[PH](=O)[O-] VOJJIN
O=C(N[O-])C(=O)N[O-] VUWXUG
CC(=O)c1oc2ccccc2c1N VUXGOK
NS(=O)(=O)Cc1noc2ccccc21 VUXPUZ
CCOC(=O)c1cc2occc2[nH]1 VUXREL
[C-]#[N+]c1ccc([N+]#[C-])cc1 ZZZIZA01
O=S(=O)(SSS(=O)(=O)c1ccccc1)c1ccccc1 ZZZMVU10
O=C1CCC(=O)N1I ZZZVCQ01
c1cocn1 AR14A
O=CC(=O)O CA04A
C=COC=O CE05A
C=O CO01A
C=CCC=O CO08A
ClC1CCC1 HL08A
C=NC IM02A
C=[NH+]C NC10A
C=[NH2+] NC13A
N NH10A
CC[NH+](C)[O-] NH20A
CC[NH2+][O-] NH22A
CCNO NH23A
C=CO OH10A
S SR01A
CSS SR05A
Sc1ccccc1 SR07A
C[O-] AN05A
C[S-] AN06A
C=C[S-] AN08A
c1nn[n-]n1 AN11A
C=C[NH-] AN12A
FC1CC1 HL11A
C=CF HL13A
CN=O NO03A
CC(C)=[N+]=[N-] NX02A
CC(C)=[OH+] OC02A
O=[PH3] PO02A
CNP(C)(=O)[O-] PO05A
P PR01A
CP PR02A
CPCl PR03A
CC(C)=P PR04A
C[SiH3] SI02A
C[SiH2]O SI03A
CS(=O)(=O)NC(=O)c1ccccc1 SO07A
O=S(=O)(O)O SO12A
C[N-]S(C)(=O)=O SO15A
CC(C)=S=O SO16A
C[S-](=O)=S SO18A
O.[Br-] BRMW1
O.O.O.[Ca+2] CA2PW3
O.[Cl-] CLMW1
O.[Cu+] CU1PW1
O.O.O.[Cu+2] CU2PW3
O.O.O.[Fe+2] FE2PW3
O.O.O.[Fe+3] FE3PW3
O.[F-] FMW1
O.[OH3+] H3OPW1
O.[K+] KPW1
[Li+].O LIPW1
O.O.O.[Mg+2] MG2PW3
O.[Na+] NAPW
[OH-].O OHMW1
O.O.O.[Zn+2] ZN2PW3
CC1NCNS1 ERULE_01
C1CSNN1 ERULE_02
CP[Si](C)(C)C ERULE_03
ClC1CSSN1 ERULE_04
[pH]1[pH][pH]1 ERULE_05
CN(C)F ERULE_06
C1C2CNCN12 ERULE_07
CN1CCN1 ERULE_08
|