smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000218395207 568479701 /nfs/dbraw/zinc/47/97/01/568479701.db2.gz WXRSABMUDHLGLP-UHFFFAOYSA-N -1 0 423.516 1.205 40 70 HDIBRM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(C)CC3)ccc2OC)cc1 ZINC000216844693 568468335 /nfs/dbraw/zinc/46/83/35/568468335.db2.gz NXJBBCKLZKVZNP-UHFFFAOYSA-N -1 0 419.503 1.892 40 70 HDIBRM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000218395306 568479706 /nfs/dbraw/zinc/47/97/06/568479706.db2.gz PZEMTNLLLFKBFB-UHFFFAOYSA-N -1 0 423.516 1.511 40 70 HDIBRM