hasSMILES

1,509 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:tert-butyl_peroxybenzoate CC(C)(C)OOC(=O)C1=CC=CC=C1
gptkb:CHEMBL398973 COc1ccc(NC(=O)c2ccc(NC)cc2S(=O)(=O)C)cc1
gptkb:linsitinib COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C)CC4)cc3)cc2cc1OC
gptkb:CHEBI:45713 C1=NC2=C(N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
gptkb:ChEMBL_CHEMBL2109247 CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=CC=CC=C4N3CCS(=O)(=O)C
gptkb:catechol C1=CC(=C(C=C1)O)O
gptkb:D-limonene CC1=CCC(CC1)C(=C)C
gptkb:p-Cresol CC1=CC=C(C=C1)O
gptkb:fulvene C1=CC=CC1=C
gptkb:phenylethanolamine C1=CC=CC=C1CCN
gptkb:1310-73-2 [Na+].[OH-]
gptkb:naphazoline c1ccc2c(c1)cccc2CCN=C(N)N
gptkb:caffeic_acid C1=CC(=C(C=C1C=CC(=O)O)O)O
gptkb:Dimethylglycine CN(C)CC(=O)O
gptkb:CHEMBL25422 COc1ccc2c(c1)C3CCN4CCC5=CC(=C(C=C5C4CC3)OC)O
gptkb:DB01037 CN(C)C(=N)N=C(N)N
gptkb:DB12010 CC(C)NCC(COC1=CC=CC=C1C(=O)N)O
gptkb:DB08604 CCCCCNS(=O)(=O)C1=CC=C(C=C1OC)N=CC2=CN=CN2C
gptkb:DB00118 CN(C)C(=N)N=C(N)N
gptkb:L-amphetamine CC(CC1=CC=CC=C1)N