smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005807764 170142192 /nfs/dbraw/zinc/14/21/92/170142192.db2.gz SJXFQZMCGNYZEP-UHFFFAOYSA-N 2 0 279.387 3.800 1 10 CHCFRP