smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(N3CC[NH2+]CC3)nc2c1 ZINC000006222161 285149199 /nfs/dbraw/zinc/14/91/99/285149199.db2.gz MBURRSGRHNXZGN-UHFFFAOYSA-N 1 3 343.391 0.357 40 5 ECBBHO