smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc(C(=O)[O-])c2c(N)c(C(=O)[O-])sc2n1 ZINC000409442607 348603121 /nfs/dbraw/zinc/60/31/21/348603121.db2.gz XZMJTRJETFGVKP-UHFFFAOYSA-N -2 0 294.332 2.572 40 10 CFCBRL O=C1C=C([O-])C=CC1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC000035799632 372551116 /nfs/dbraw/zinc/55/11/16/372551116.db2.gz MHKGJUOEEHNBLE-YPKPFQOOSA-N -2 0 294.288 2.760 40 10 endogenous,in-man CFCBRL