smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])N[C@@H]1C[C@H](NC(N)=[NH2+])[C@@H](c2ccc3[nH]c(N)nc3c2)C[C@H]1O ZINC000028571798 202172800 /nfs/dbraw/zinc/17/28/00/202172800.db2.gz DAOXSQHDHQOLFB-OAIFWDMCSA-N 2 3 345.411 -0.913 1 0 EBAFHP NC(=[NH2+])N[C@@H]1C[C@H](NC(N)=[NH2+])[C@@H](c2ccc3nc(N)[nH]c3c2)C[C@H]1O ZINC000028571798 202172804 /nfs/dbraw/zinc/17/28/04/202172804.db2.gz DAOXSQHDHQOLFB-OAIFWDMCSA-N 2 3 345.411 -0.913 1 0 EBAFHP