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$FPG<na;fingerprint;4.71;SMILES;2048,64,0.30,0/7>
|
$SMIG<;mol2smi;07-Feb-2000;>
|
$SMI<Cc1nnc(N)nc1C>
FP<.1.HHa..cUI6i5E2rO8.Op10d0NoiWGVx.+Hm.Gb6lo.2;2048;116;256;91;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00006460>
AMW<124.146>
CAS<17584-12-2>
PN<3-AMINO-5,6-DIMETHYL-1,2,4-TRIAZINE>
|
$SMI<Cc1n[nH]c(=O)nc1N>
FP<.b+HHa.EgU6+ibEIr89.CpX0g8FZiXH+R0+Ps.mr6tg.2;2048;130;256;103;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00708086>
AMW<126.118>
CAS<~>
PN<5-AMINO-6-METHYL-2,3-DIHYDRO-1,2,4-TRIAZIN-3-ONE>
|
$SMI<Cc1n[nH]c(=O)[nH]c1=O>
FP<.b7HEa..ccc+gWEIr89.8lV8gOF3aXFFR.+Ps.mZ6lg.2;2048;115;256;92;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00006457>
AMW<127.103>
CAS<932-53-6>
PN<6-AZATHYMINE>
|
$SMI<Cc1nnc(NN)nc1O>
FP<.H+nHq2EcY09y5EIr9e.8p50h0NgiWGNx4+Hm+Gbslw.2;2048;147;256;110;1>
2D<-2.31,2.00,-1.33,2.27,-0.64,1.53,0.34,1.80,0.61,2.78,1.59,3.04,2.31,2.31,-0.10,3.50,-1.07,3.24,-1.79,3.96;>
MFCD<MFCD00662639>
AMW<141.133>
CAS<~>
PN<3-HYDRAZINO-6-METHYL-1,2,4-TRIAZIN-5-OL>
|
$SMI<Cc1n[nH]c(=S)[nH]c1=O>
FP<2X7HEq.+ccV3geOJr88.8l+8yuFZaWFFRG+Ps.mZ7lw.2;2048;129;256;104;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00006458>
AMW<143.17>
CAS<615-76-9>
PN<6-AZA-2-THIOTHYMINE>
|
$SMI<Cc1n[nH]c(=O)[nH]c1=S>
FP<25+HEa..cU73ieGIrC9.8nV0ieNZiXF+RG+Ps.mZ7lo.2;2048;129;256;101;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00193146>
AMW<143.17>
CAS<98213-64-0>
PN<6-METHYL-5-THIOXO-4,5-DIHYDRO-2H-(1,2,4)TRIAZIN-3-ONE>
|
$SMI<Cc1nnc(S)nc1O>
FP<.1FnEa2EcU07g8EIr9e.8l5GhWF2aWENToHHm+OZ6lY.2;2048;129;256;97;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00127801>
AMW<143.17>
CAS<615-76-9>
PN<3-MERCAPTO-6-METHYL-(1,2,4)TRIAZIN-5-OL>
|
$SMI<CSc1nnc(C)c(O)n1>
FP<61HnEq4EcV47geEJr9e.8p5GhXF2aWkNToHHm+OZ6lY.2;2048;144;256;108;1>
2D<-2.31,2.31,-1.59,3.04,-0.61,2.78,-0.37,1.80,0.61,1.53,1.33,2.24,2.31,1.98,1.07,3.22,1.79,3.94,0.10,3.49;>
MFCD<MFCD02090437>
AMW<157.196>
CAS<~>
PN<6-METHYL-3-(METHYLTHIO)-1,2,4-TRIAZIN-5-OL>
|
$SMI<CSc1nc(=O)[nH]nc1C>
FP<.5+HEq.EeVA+wuEJrC9.8pXGgfF3abJ+TE1Ps1mZ6po.2;2048;145;256;108;1>
2D<-0.51,1.53,-1.02,2.41,-0.51,3.29,0.50,3.27,1.00,4.15,2.03,4.15,0.50,5.03,-0.50,5.03,-1.01,4.16,-2.03,4.16;>
MFCD<MFCD00708085>
AMW<157.196>
CAS<~>
PN<6-METHYL-5-(METHYLTHIO)-2,3-DIHYDRO-1,2,4-TRIAZIN-3-ONE>
|
$SMI<Cc1n[nH]c(=S)n(N)c1=O>
FP<2X7HEqE+seV3gfOJr8808n+8yuFZiWFnTG+vs.mZ7pw.2;2048;152;256;116;1>
2D<-2.02,2.41,-1.01,2.41,-0.52,1.53,0.49,1.53,1.00,2.40,2.02,2.40,0.50,3.28,1.01,4.16,-0.51,3.28,-1.02,4.16;>
MFCD<MFCD00128785>
AMW<158.184>
CAS<22278-81-5>
PN<4-AMINO-6-METHYL-3-THIOXO-3,4-DIHYDRO-2H-(1,2,4)TRIAZIN-5-ONE>
|
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