smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(Cl)cc6)[nH]c5c4)nc3c2)CC1 ZINC000205898505 569583156 /nfs/dbraw/zinc/58/31/56/569583156.db2.gz QXGLWDFFMBHOFL-UHFFFAOYSA-N 1 1 442.954 5.178 30 0 IKACMO