smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCn1c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(=O)c2ccccc21 ZINC000095347225 208155426 /nfs/dbraw/zinc/15/54/26/208155426.db2.gz ABHXLZDYRXEBQI-UHFFFAOYSA-N -2 1 397.387 3.373 50 5 GGBAML CCCCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c(=O)c2ccccc21 ZINC000004321701 204037238 /nfs/dbraw/zinc/03/72/38/204037238.db2.gz YBWSZEZYFCTYMB-UHFFFAOYSA-N -2 1 397.387 3.373 50 5 GGBAML O=c1[n-]c(C=Cc2ccccc2OCc2ccccc2F)nc([O-])c1[N+](=O)[O-] ZINC000012375569 1399040681 /nfs/dbraw/zinc/04/06/81/1399040681.db2.gz NPDYLQSCSXZYMW-MDZDMXLPSA-N -2 1 383.335 3.272 50 5 GGBAML