smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N=C(O)NC(C)(C)C)cc1 ZINC000013589648 560219905 /nfs/dbraw/zinc/21/99/05/560219905.db2.gz SILRUCMXYIKULW-UHFFFAOYSA-N 0 2 406.464 3.638 1 30 in-vitro HHEFLN Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c(O)c(Br)c1)C2=O ZINC000001902837 581098477 /nfs/dbraw/zinc/09/84/77/581098477.db2.gz LGMNYNVJHOKTDI-QDEBKDIKSA-N 0 2 423.060 3.962 1 30 HHEFLN