smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN3CCN(CCC[NH3+])CC3)c2c1 ZINC000029312148 563077580 /nfs/dbraw/zinc/07/75/80/563077580.db2.gz BGRGIQMKRZGCPC-UHFFFAOYSA-N 2 3 442.007 3.818 1 10 IHCFHP