smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CN(N=Cc2cc([O-])c([N+](=O)[O-])o2)C(=O)[N-]1 ZINC000006091427 351324280 /nfs/dbraw/zinc/32/42/80/351324280.db2.gz IYLRNNITFNQLKH-MFVSGPAISA-N -2 3 254.158 -0.550 2 5 CBBFHL