hasSMILES

1,504 triples
GPTKB property

Alternative names (3)
SMILES has SMILES hasSmiles

Random triples
Subject Object
gptkb:meta-chlorophenylpiperazine Clc1cccc(c1)N2CCNCC2
gptkb:138-86-3 CC1=CCC(CC1)C(=C)C
gptkb:fujimycin CC(C)CC1=C(C(=O)OCC2C1(C(=O)OC(C(C2O)OC)C)C)C
gptkb:H2O2 OO
gptkb:CHEMBL1230992 CC1=CC(=O)N(C)C(=C1)C2=CC=CC=C2NC(=O)C3=CN=CC=C3
gptkb:CHEMBL2105757 CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=CC=CC=C4S3C(=O)N
gptkb:Ethyl_acetate CCOC(=O)C
gptkb:CHEBI:41921 Cn1cnc2c1c(=O)n(C)c(=O)n2C
gptkb:146-78-1 C1=C(C=C(C=C1Cl)Cl)ClO
gptkb:Nirmatrelvir CC1=NC(=O)C(CN(C1)C2=NC=CC(=N2)C3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(C(C)C)NC(=O)C(C)(C)C
gptkb:CHEBI:31970 Cn1cnc2c1c(=O)n(C)c(=O)n2C
gptkb:levorphanol CN1CCC23C4CCC2C1CC(O)C4CC3
gptkb:CHEMBL411 CC(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)C)C(=O)O
gptkb:DB02546 C1=CC(=C(C=C1CCN)O)O
gptkb:Sesamin COC1=CC2=C(C=C1)OCO2.COC3=CC4=C(C=C3)OCO4
gptkb:CHEMBL191 CC(C)NCC(COC1=CC=CC=C1O)O
gptkb:RWRDLPDLKQPQOW-UHFFFAOYSA-N CC(=O)NC1=CC=C(C=C1)O
gptkb:2C-T-21 CC1=CC(=C(C=C1OC)SCCF)OCCN
gptkb:filgotinib CC1=CC(=O)N(C2=NC=NC3=C2N=C(C=C3)N4CCN(CC4)C(=O)C)C1
gptkb:(E)-prop-2-ene-1-sulfinothioic_acid_S-2-propenyl_ester C=CCS(=O)SC=C

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