smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(C(=O)[O-])cc1C1=C(c2cc(C(=O)[O-])sc2C)CCC1 ZINC000068576399 215319541 /nfs/dbraw/zinc/31/95/41/215319541.db2.gz POIJCCQDBMTISE-UHFFFAOYSA-N -2 0 348.445 4.918 10 0 EJAERL O=C([O-])c1ccc(N(c2ccccc2)c2ccc(C(=O)[O-])cc2)cc1 ZINC000095080303 218275146 /nfs/dbraw/zinc/27/51/46/218275146.db2.gz CTTCNCPHKDSWGJ-UHFFFAOYSA-N -2 0 333.343 4.553 10 0 EJAERL CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000028461516 202171285 /nfs/dbraw/zinc/17/12/85/202171285.db2.gz NHVXRVOYVVPVDU-UHFFFAOYSA-N -2 0 342.476 4.678 10 0 EJAERL