smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1c[nH+]cn1C)c1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000043286586 571100325 /nfs/dbraw/zinc/10/03/25/571100325.db2.gz MFWRKQNZLRKRRY-UHFFFAOYSA-N 2 2 356.514 3.557 40 10 FHCBLP