smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2 ZINC001164702470 719938425 /nfs/dbraw/zinc/93/84/25/719938425.db2.gz GNEZINHIRQCWSO-UHFFFAOYSA-N 2 2 470.538 -0.522 20 5 JBBDLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001166491358 1069486139 /nfs/dbraw/zinc/48/61/39/1069486139.db2.gz VMTMRPZKQRNQGJ-UHFFFAOYSA-N 2 2 452.479 -0.006 20 5 JBBDLP