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(N3CC[NH2+]CC3)c(N3CC[NH2+]CC3)nc2c1 ZINC000006222161 285149192 /nfs/dbraw/zinc/14/91/92/285149192.db2.gz MBURRSGRHNXZGN-UHFFFAOYSA-N 2 0 343.391 0.357 40 5 ECBBRP