smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1CSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000216928429 525181084 /nfs/dbraw/zinc/18/10/84/525181084.db2.gz KEOOJLSIVGVAQL-UHFFFAOYSA-N 0 1 369.534 3.619 40 70 FHIBMN C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1 ZINC000216910395 568153235 /nfs/dbraw/zinc/15/32/35/568153235.db2.gz ZIOGBIOXAQZNNI-OAHLLOKOSA-N 0 1 356.853 3.851 40 70 FHIBMN C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1 ZINC000216910425 568153222 /nfs/dbraw/zinc/15/32/22/568153222.db2.gz ZIOGBIOXAQZNNI-HNNXBMFYSA-N 0 1 356.853 3.851 40 70 FHIBMN