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+])NCCC[C@@H](C(=O)NC(=O)[C@@H]1CCCC[NH2+]1)N(C(=O)[C@H](N)CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001570007626 1066291495 /nfs/dbraw/zinc/29/14/95/1066291495.db2.gz OBDOJUIACHJPTH-WZUMBGCGSA-N 2 1 574.683 0.613 40 5 KCBBMP NC(=[NH2+])NCCC[C@@H](C(=O)NC(=O)[C@H]1CCCC[NH2+]1)N(C(=O)[C@H](N)CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001570007640 1066291443 /nfs/dbraw/zinc/29/14/43/1066291443.db2.gz OBDOJUIACHJPTH-XFUWJMGESA-N 2 1 574.683 0.613 40 5 KCBBMP