smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[N+](C)(CCCCC)CCCCC ZINC000034144483 350463356 /nfs/dbraw/zinc/46/33/56/350463356.db2.gz NDNHNDHVEAHYRC-UHFFFAOYSA-N 1 0 242.471 5.004 40 5 BKBBRO