smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)CC1 ZINC000216831370 571599744 /nfs/dbraw/zinc/59/97/44/571599744.db2.gz GTQORGPBKRAYDZ-UHFFFAOYSA-N -1 3 544.655 2.441 40 70 KEIBHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1 ZINC000216832239 571599834 /nfs/dbraw/zinc/59/98/34/571599834.db2.gz WEEKOIAXWVTUFU-UHFFFAOYSA-N -1 3 574.681 2.450 40 70 KEIBHM