hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:CGP57380 C1CC2=CC=CC=C2C1NCC(=O)C3=CC=CC=N3
gptkb:taselisib CC1=CC(=C(C=C1N2C=NC(=NC2N3CCOCC3)N4CCOCC4)N5CCN(CC5)S(=O)(=O)C)C(=O)OC(F)(F)F
gptkb:CHEMBL458 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2C3=NC=CC(=N3)N4CCN(CC4)C5=NC=CC=N5
gptkb:69-53-4 C1=CC(=C(C=C1CCN)O)O
gptkb:anandamide CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
gptkb:lorcaserin Clc1ccc(cc1)CCN2CCOCC2
gptkb:bryostatin-1 CC1=C(C(=O)OC2C(C(C(C(C2OC1=O)O)O)O)O)C
gptkb:tapinarof CC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)C(C)C=O
gptkb:2C-B COC1=CC(=C(C=C1CCN)OC)Br
gptkb:CHEBI:17336 gptkb:C1=NC2=C(N1)N=C(NC2=O)N[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O
gptkb:midostaurin COC1=C2C(=CC=C1)C3C4C2C5C(C3N(C4=O)C(=O)NC5)C(=O)NC
gptkb:enasidenib C1=CC(=CC=C1C2=NC3=NC=NC(=C3N2)N)C(=O)N
gptkb:CHEBI:27958 C1=NC2=C(N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
gptkb:CHEMBL472 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2C3=NC=CC(=N3)N4CCN(CC4)C5=NC=CC=C5
gptkb:mephenytoin CC1(C(=O)NC(=O)N1C)C2=CC=CC=C2
gptkb:2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine CN(C)CCc1c[nH]c2ccc(OC)cc12
gptkb:temazepam CN1C(=O)CN=C(C2=CC=CC=C2Cl)C1=O
gptkb:hypoxanthine C1=NC2=C(N1)NC=NC2=O
gptkb:CHEMBL4297598 CC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=CC=CC=C3C(=O)N
gptkb:ZM-241385 c1cc(c(cc1CCNC2=NC(=NN3C2=NC(=N3)N)c4ccco4)N)O

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