smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)CC1 ZINC000216837980 557157421 /nfs/dbraw/zinc/15/74/21/557157421.db2.gz XBLLOYVWEMMWTK-UHFFFAOYSA-N -1 3 437.949 2.730 40 70 IFIBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)cc2)c1 ZINC000216832004 557157019 /nfs/dbraw/zinc/15/70/19/557157019.db2.gz ZHBORCXYNOANFK-UHFFFAOYSA-N -1 3 431.558 2.693 40 70 IFIBHM CN1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000216832290 557157046 /nfs/dbraw/zinc/15/70/46/557157046.db2.gz ZVXIDWHIEGTAFL-UHFFFAOYSA-N -1 3 437.949 2.730 40 70 IFIBHM