smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cc([N+](=O)[O-])ccc2[N+](=O)C1c1ccc([N+](=O)[O-])cc1 ZINC000005882682 181293048 /nfs/dbraw/zinc/29/30/48/181293048.db2.gz GJKFKVICLPOMSJ-UHFFFAOYSA-N 1 2 313.225 2.330 1 5 DEBFLO CCc1cnc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4cc[nH+]c4)cc3n12 ZINC000000017106 180669782 /nfs/dbraw/zinc/66/97/82/180669782.db2.gz NGLULEGEHSXPSN-UHFFFAOYSA-N 1 2 324.300 2.244 1 5 DEBFLO NC(=O)CSc1c2cc(O)ccc2[nH+]c2ccc(O)cc21 ZINC000005940216 181298347 /nfs/dbraw/zinc/29/83/47/181298347.db2.gz QOYBWWRICBLLBD-UHFFFAOYSA-N 1 2 300.339 2.377 1 5 DEBFLO