smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNCc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000011770341 335145523 /nfs/dbraw/zinc/14/55/23/335145523.db2.gz AXMXOVGDWUNJJD-SFHVURJKSA-N 1 3 318.461 2.578 10 30 DFEEHO