smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc(C[NH2+]Cc2c(O)cccc2Br)[nH]1 ZINC000706883558 1086654481 /nfs/dbraw/zinc/65/44/81/1086654481.db2.gz OEUYDZXSQLPKSB-UHFFFAOYSA-N -1 2 311.183 2.125 10 10 DECELM Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])s1 ZINC000048847226 683918721 /nfs/dbraw/zinc/91/87/21/683918721.db2.gz GVNWBDHDZOUXTO-UHFFFAOYSA-N -1 2 313.356 2.261 10 10 DECELM