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(Sc2ccc([N+](=O)[O-])c([O-])c2)c([N+](=O)[O-])c1 ZINC000035182989 213013446 /nfs/dbraw/zinc/01/34/46/213013446.db2.gz RAIBPTDQAHDXRL-UHFFFAOYSA-N -2 0 336.281 3.058 40 5 EGBBRL N=c1[n-]nc(/C(=C/c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)s1 ZINC000408718352 257891120 /nfs/dbraw/zinc/89/11/20/257891120.db2.gz TWICZVHGYZDQTB-UKTHLTGXSA-N -2 0 340.364 3.153 40 5 EGBBRL CC(C)n1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc21 ZINC000038178830 213205035 /nfs/dbraw/zinc/20/50/35/213205035.db2.gz GQPDIZDIPDMPAB-FPLPWBNLSA-N -2 0 340.339 3.090 40 5 EGBBRL