smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)nc(NCCc2c[nH]c[nH+]2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000028387947 581093043 /nfs/dbraw/zinc/09/30/43/581093043.db2.gz HUWOFZSGRCUYFE-UHFFFAOYSA-N 2 2 415.885 1.680 1 0 HDAFLP Nc1nc(N2CC[N@@H+]3C[C@@H](Cn4cc[nH+]c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000013585860 581095972 /nfs/dbraw/zinc/09/59/72/581095972.db2.gz PJAYVTJZMSGLEZ-CABCVRRESA-N 2 2 420.481 1.159 1 0 HDAFLP Nc1nc(N2CC[N@H+]3C[C@@H](Cn4cc[nH+]c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000013585860 581095973 /nfs/dbraw/zinc/09/59/73/581095973.db2.gz PJAYVTJZMSGLEZ-CABCVRRESA-N 2 2 420.481 1.159 1 0 HDAFLP