smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000084462408 183007489 /nfs/dbraw/zinc/00/74/89/183007489.db2.gz KLIGHNONINJMLY-UHFFFAOYSA-N 0 2 234.171 -0.171 1 5 BBBFLN N=c1c(=O)[nH]nc2c(=O)[nH]c3ccccc3n12 ZINC000103150550 181209403 /nfs/dbraw/zinc/20/94/03/181209403.db2.gz YKLVDAITEHEFGE-UHFFFAOYSA-N 0 2 229.199 -0.244 1 5 BBBFLN