smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH]nc(NCC[NH2+]CCO)c1[N+](=O)[O-] ZINC000006292529 357249850 /nfs/dbraw/zinc/24/98/50/357249850.db2.gz TYBQDCRHADLYHC-UHFFFAOYSA-N 1 1 230.228 -1.106 50 5 BABAMO