smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)CC2)cc1 ZINC000004303207 536701154 /nfs/dbraw/zinc/70/11/54/536701154.db2.gz BLUXQBLGCKFJSJ-UHFFFAOYSA-N -1 3 366.399 -0.005 50 10 FBCAHM CN(C)c1ccc(/C=c2/sc3nc4c(c(=O)[n-]c(=O)n4C)n3c2=O)cc1 ZINC000022017738 211334220 /nfs/dbraw/zinc/33/42/20/211334220.db2.gz XRJXWZNQKJTILC-DHZHZOJOSA-N -1 3 369.406 -0.090 50 10 FBCAHM