hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:1-(2,3-dihydro-1H-inden-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-1-propanone COC1=CC=C(C=C1)C(CNC)C(=O)C2CC3=CC=CC=C3C2
gptkb:129453-61-8 N#Cc1ccc(cc1)C(=N/n2cccn2)c3ccc(cc3)C#N
gptkb:Miricorilant CC1(C2CCC3(C(C2C1)C4=CC=C(C=C4)F)C(=O)N(C3)C)C
gptkb:DB00829 CN(C)C(=N)N=C(N)N
gptkb:CHEMBL214651 CN1C=CC2=C1C=CC(=C2)C3=CC(=O)NC(=O)C3S
gptkb:Tropinina OC1CC2NCC(C1)C2
gptkb:QXQDBDUTYJJUKX-DCBBRINESA-N Cn1cnc2c1c(=O)n(C)c(=O)n2C
gptkb:CHEBI:61548 COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)C4=C(C(=C(C(=C4C3=O)O)O)O)COC5C(C(C(C(O5)C)O)O)N)O
gptkb:CHEMBL521686 COc1ccc(cc1)NC(=O)c2ccc(cc2N(C)C)S(=O)(=O)C
gptkb:desmethylketamine CN(C1CCCCC1C2=CC=CC=C2Cl)C=O
gptkb:2-phosphoglycerate C(C(C(=O)O)OP(=O)(O)O)O
gptkb:catechol C1=CC(=C(C=C1)O)O
gptkb:CHEMBL1427 CC(C)NCC(COC1=CC=CC=C1O)O
gptkb:DB08890 CCOC(=O)C(=NOC(=O)C1=CC=CC=C1)N(C)C2=NC3=CC=CC=C3N2C4=CC=CC=C4
gptkb:3RL6 CC1=CC(=O)N(C)C(=O)C1
gptkb:Semaxanib Cc1cc(nc1)C=C2C=CC(=CC2)C(=O)Nc3ccccn3
gptkb:DB12023 CC(C)NCC(O)COc1ccc2c(c1)C(=O)N(C2=O)C3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=CC=C5
gptkb:triphenyl_phosphite O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
gptkb:mebutamate CCC(C)CNC(=O)OC
gptkb:tert-butyl_alcohol CC(C)(C)O

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