smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c1 ZINC000044247325 562652708 /nfs/dbraw/zinc/65/27/08/562652708.db2.gz YFMBSKDSAUSPKA-UHFFFAOYSA-N 2 0 512.007 3.812 1 70 KHIFRP