smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]NC(=O)c2ccccc2)c1 ZINC000058707583 957558903 /nfs/dbraw/zinc/55/89/03/957558903.db2.gz JJHNYOMDLBNDFQ-UHFFFAOYSA-N -2 0 354.771 1.662 40 50 FDGBRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccc(Cl)cc1 ZINC000013027497 956908077 /nfs/dbraw/zinc/90/80/77/956908077.db2.gz SCSZHEVHRXJZTG-UHFFFAOYSA-N -2 0 368.798 1.970 40 50 FDGBRL COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000055549136 957547219 /nfs/dbraw/zinc/54/72/19/957547219.db2.gz XAACXESFWRBCNF-UHFFFAOYSA-N -2 0 350.352 1.017 40 50 FDGBRL Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000013348860 957036531 /nfs/dbraw/zinc/03/65/31/957036531.db2.gz NCSLIYQVDDNJQN-UHFFFAOYSA-N -2 0 368.798 1.970 40 50 FDGBRL