hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:DB00721 CN(C)C(=N)N=C(N)N
gptkb:baicalein C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
gptkb:2,4,5-Trichlorophenoxyacetic_acid Clc1cc(Cl)cc(Cl)c1OCC(=O)O
gptkb:CHEMBL1201563 COc1ccc(NC(=O)S(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1
gptkb:thiopental_sodium CCC(C)C1C(=O)NC(=S)NC1=O.[Na]
gptkb:naloxegol CC(C)OC(=O)[C@@H]1CC[C@H]2[C@@]3(CCN4CCC[C@]34O2)[C@H]1O[C@H]5CO[C@H](CO)[C@@H](O)[C@H]5O
gptkb:4-hydroxytamoxifen CN(C)CCOc1ccc(cc1)/C(=C(/c2ccccc2)c3ccccc3)/O
gptkb:N-desalkylflurazepam C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3F)C(=N2)Cl
gptkb:geranyl_diphosphate CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C
gptkb:naltrindole C1CC1CN2CCC34C5CC6=C7C(=C(C=C6O)O)O[C@@]7(CC[C@@H]3[C@@H]2C4)C5
gptkb:2,6-bis(propan-2-yl)phenol CC(C)c1cccc(c1O)C(C)C
gptkb:methylnaltrexone C[C@]12CC[C@H]3[C@H]([C@@H]1CCN2C)Cc4ccc(O)c(C3=O)c4
gptkb:Pulegone CC1=CC(=O)CCC1(C)C
gptkb:9H-pyrido[3,4-b]indole c1ccc2c(c1)ccn3ccc4ccccc4n23
gptkb:CHEMBL479469 COc1ccc(cc1)NC(=O)c2ccc(cc2N(C)C)S(=O)(=O)C
gptkb:n-heptane CCCCCCC
gptkb:CHEMBL398867 COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2N)N(=O)=O
gptkb:59-99-4 CC1=CC(=O)N(N1C)C2=CC=CC=C2
gptkb:Akt_inhibitor_MK-2206 C1CC(C1)N.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
gptkb:XeF4 F[Xe](F)(F)F

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