smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C[NH+]1CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000091594950 193077754 /nfs/dbraw/zinc/07/77/54/193077754.db2.gz UKOFYZQHOPEHNU-UHFFFAOYSA-N 1 1 307.350 -0.089 10 10 DBCEMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184738984 375552883 /nfs/dbraw/zinc/55/28/83/375552883.db2.gz YJZWWDBNLQXANE-HUUCEWRRSA-N 1 1 307.394 -0.204 10 10 DBCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184738984 375552891 /nfs/dbraw/zinc/55/28/91/375552891.db2.gz YJZWWDBNLQXANE-HUUCEWRRSA-N 1 1 307.394 -0.204 10 10 DBCEMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184739004 375553178 /nfs/dbraw/zinc/55/31/78/375553178.db2.gz YJZWWDBNLQXANE-CABCVRRESA-N 1 1 307.394 -0.204 10 10 DBCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184739004 375553188 /nfs/dbraw/zinc/55/31/88/375553188.db2.gz YJZWWDBNLQXANE-CABCVRRESA-N 1 1 307.394 -0.204 10 10 DBCEMO