smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408917702 1059031277 /nfs/dbraw/zinc/03/12/77/1059031277.db2.gz AEVCYGJMRMZGQG-DKOMQPSQSA-N -1 2 531.546 3.271 40 5 KGBBLM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408917703 1059763662 /nfs/dbraw/zinc/76/36/62/1059763662.db2.gz AEVCYGJMRMZGQG-IZBTWGKQSA-N -1 2 531.546 3.271 40 5 KGBBLM