smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 217907349 168105204 /nfs/dbraw/zinc/10/52/04/168105204.db2.gz WZKWRCFMDWAEAM-ZJUUUORDSA-N 1 1 199.294 1.527 50 70 ADIAMO COc1cc[nH+]c2c1NCCC2 217428291 168280188 /nfs/dbraw/zinc/28/01/88/168280188.db2.gz BIPCJMIOUAHIFI-UHFFFAOYSA-N 1 1 164.208 1.448 50 70 ADIAMO