smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc[nH+]c1N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000049757088 570272097 /nfs/dbraw/zinc/27/20/97/570272097.db2.gz KKYHNYRUBSYTCZ-GOSISDBHSA-N -1 2 377.831 4.896 50 10 in-vitro GJCALM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000008742368 221054273 /nfs/dbraw/zinc/05/42/73/221054273.db2.gz LKUKBMXNOKYYCJ-WUXMJOGZSA-N -1 2 391.210 4.514 50 10 GJCALM