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-])CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000821533561 587126644 /nfs/dbraw/zinc/12/66/44/587126644.db2.gz TVZYUHVVWDEFFY-UHFFFAOYSA-N -1 2 240.171 0.115 20 5 BCBDLM O=C(NOCCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839778133 585341448 /nfs/dbraw/zinc/34/14/48/585341448.db2.gz NHSCQDHPIUZGAH-HTQZYQBOSA-N -1 2 214.221 0.500 20 5 BCBDLM O=C([O-])CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000219004210 354662095 /nfs/dbraw/zinc/66/20/95/354662095.db2.gz YDOKMDGIXIWWDA-UHFFFAOYSA-N -1 2 240.171 0.115 20 5 BCBDLM O=C(NOC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839778699 585341338 /nfs/dbraw/zinc/34/13/38/585341338.db2.gz YYIQAQXMQRBODV-RNFRBKRXSA-N -1 2 200.194 0.252 20 5 BCBDLM