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+])c1ccc(C(=O)N2CCN(C(=O)c3cc(CN4CCN(C(N)=[NH2+])CC4)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000201055424 571569288 /nfs/dbraw/zinc/56/92/88/571569288.db2.gz SKTVJNLOILHEKO-UHFFFAOYSA-N 2 0 521.582 0.488 20 5 KCBDRP