smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCN2C(=O)NC(=O)C(=CNCCO)C2=O)cc1OC ZINC000006092050 219713418 /nfs/dbraw/zinc/71/34/18/219713418.db2.gz WIQNJWKEEDENOU-BENRWUELSA-N 0 1 363.370 -0.210 50 10 FBCAMN CON(C)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 ZINC000009705411 485140583 /nfs/dbraw/zinc/14/05/83/485140583.db2.gz JGQZQSDLCPMNFW-UHFFFAOYSA-N 0 1 354.344 -0.470 50 10 FBCAMN O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=CNCCN1CC[NH2+]CC1 ZINC000020189032 220317947 /nfs/dbraw/zinc/31/79/47/220317947.db2.gz IRSFQSYDNWQKEQ-WYMLVPIESA-N 0 1 365.503 -0.059 50 10 FBCAMN COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000034926543 483578270 /nfs/dbraw/zinc/57/82/70/483578270.db2.gz MTBSRFIZCWKLFT-UHFFFAOYSA-N 0 1 351.403 -0.277 50 10 FBCAMN