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(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1 ZINC000806558938 1281095957 /nfs/dbraw/zinc/09/59/57/1281095957.db2.gz PVOYUOLXTLASBQ-KTAJNNJTSA-N -2 2 329.264 2.600 20 30 EFEDLL O=C([O-])c1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1 ZINC000806558939 1281095603 /nfs/dbraw/zinc/09/56/03/1281095603.db2.gz PVOYUOLXTLASBQ-ORCRQEGFSA-N -2 2 329.264 2.600 20 30 EFEDLL