smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])c(C=O)c(OC)c1[O-] ZINC000036057301 175017482 /nfs/dbraw/zinc/01/74/82/175017482.db2.gz IPOVDEOBKKXWSF-UHFFFAOYSA-N -1 0 227.172 1.130 30 5 BDBCRM Nc1cc(Cl)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000034415904 346267450 /nfs/dbraw/zinc/26/74/50/346267450.db2.gz STWBZTCBIRBNHV-UHFFFAOYSA-N -1 0 216.580 1.529 30 5 BDBCRM Cc1c([N+](=O)[O-])cc(C=O)c([O-])c1[N+](=O)[O-] ZINC000004290784 372197940 /nfs/dbraw/zinc/19/79/40/372197940.db2.gz FDYVDKSXFOLWGT-UHFFFAOYSA-N -1 0 226.144 1.330 30 5 BDBCRM