smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2[nH+]c3cc(Cl)c(Cl)cc3n2c(C)c2ccccc12 ZINC000001638780 180882182 /nfs/dbraw/zinc/88/21/82/180882182.db2.gz STTZONQMPVMBOV-UHFFFAOYSA-N 1 2 315.203 5.564 1 5 DKBFLO c1ccc([C@@H]2Nc3ccc4cc5ccccc5[nH+]c4c3CO2)cc1 ZINC000040567667 183103926 /nfs/dbraw/zinc/10/39/26/183103926.db2.gz VUKMDNGUZFMBCL-OAQYLSRUSA-N 1 2 312.372 5.029 1 5 DKBFLO c1ccc([C@H]2Nc3ccc4cc5ccccc5[nH+]c4c3CO2)cc1 ZINC000040567669 183103857 /nfs/dbraw/zinc/10/38/57/183103857.db2.gz VUKMDNGUZFMBCL-NRFANRHFSA-N 1 2 312.372 5.029 1 5 DKBFLO Clc1ccc(Cc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000147527642 186040100 /nfs/dbraw/zinc/04/01/00/186040100.db2.gz MDSINZWIUCYLPS-UHFFFAOYSA-N 1 2 303.792 5.632 1 5 DKBFLO