smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1 ZINC000328603466 569417092 /nfs/dbraw/zinc/41/70/92/569417092.db2.gz GCGJWGDLHAFXQN-NRFANRHFSA-N 2 1 406.534 2.012 10 30 HEEEMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1 ZINC000328603468 569417023 /nfs/dbraw/zinc/41/70/23/569417023.db2.gz GCGJWGDLHAFXQN-OAQYLSRUSA-N 2 1 406.534 2.012 10 30 HEEEMP