smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000217237953 241244067 /nfs/dbraw/zinc/24/40/67/241244067.db2.gz RMNSWSDTZCVFLZ-XGHQBKJUSA-N 1 3 348.506 4.098 20 70 EIIDHO