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-])COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000030840515 202199532 /nfs/dbraw/zinc/19/95/32/202199532.db2.gz HLJNIPMFPFDHFQ-UTCJRWHESA-N -1 2 333.256 0.605 50 5 ECBALM O=C([O-])CCC(=O)Nc1ccc2nc3c(=O)[nH]c(=O)nc-3[nH]c2c1 ZINC000013957338 436069042 /nfs/dbraw/zinc/06/90/42/436069042.db2.gz YMBOHZNYNRVVFN-UHFFFAOYSA-N -1 2 329.272 0.375 50 5 ECBALM