hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:linsitinib COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C)CC4)cc3)cc2cc1OC
gptkb:phloretin C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)O
gptkb:DB01098 CN(C)C(=N)N=C(N)N
gptkb:CHEMBL21108 CC1=CC=CC=C1N(C2=NC=NC(=O)N2)S(=O)(=O)N
gptkb:Kavain COC1=CC(=O)OC(C=CC2=CC=CC=C2)=C1
gptkb:DB11630 CC(C)[C@@H](NC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)P(=O)(O)OCCOCCO
gptkb:UHOVQNZJYSORNB-UHFFFAOYSA-N O
gptkb:teriflunomide CC1=NC(=C(O1)C2=CC=CC=C2C(=O)NC(F)(F)F)N
gptkb:CHEMBL411 CC(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)C)C(=O)O
gptkb:sulfadoxine COc1cnc(NC2=CC=C(C=C2)S(=O)(=O)N)c(OC)n1
gptkb:17β-hydroxy-5α-androstan-3-one C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
gptkb:PF-07321332 CC1=NC(CN(C1=O)C2CC2)(C3=CC=CC=C3)C(=O)N4CCC(CC4)NC(=O)C(C(C)C)NC(=O)C(F)(F)F
gptkb:etiocholanolone CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
gptkb:perampanel C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4C=O
gptkb:levoamphetamine CC(CC1=CC=CC=C1)N
gptkb:SCH23390 CC1=C(C2=C(C=C(C=C2)O)N(C3=CC=CC=C3)CC1)Cl
gptkb:thiopental_sodium CCC(C)C1C(=O)NC(=S)NC1=O.[Na]
gptkb:CHEMBL1163 CC(C)NCC(CO)OC1=CC=C(C=C1)CC(=O)N
gptkb:filgotinib CC1=CC(=O)N(C2=NC=NC3=C2N=C(C=C3)N4CCN(CC4)C(=O)C)C1
gptkb:DB08865 CC(C)N1C(=O)NC(C(=O)N(C2CC2)C3=CC=CC=C3)C1=O

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