smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC[NH3+])Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235435274 806422487 /nfs/dbraw/zinc/42/24/87/806422487.db2.gz GGCHGENFMJUSSO-UHFFFAOYSA-N 2 3 262.401 0.877 20 10 CCCDHP