smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(C(=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 ZINC000009613486 524693117 /nfs/dbraw/zinc/69/31/17/524693117.db2.gz KAAUKCKMXOPQKY-LPYMAVHISA-N -2 1 470.463 3.548 10 30 JHEEML Cc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccccc3OCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000009138891 525301405 /nfs/dbraw/zinc/30/14/05/525301405.db2.gz KTRPQRRUSCXPIR-ZMOGYAJESA-N -2 1 498.517 3.922 10 30 JHEEML