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+](C)CC#C[C@@H]1CCC[NH2+]1 26944495 343090781 /nfs/dbraw/zinc/09/07/81/343090781.db2.gz ZPVLKRWFLXAUJC-VIFPVBQESA-N 1 0 152.241 0.303 30 30 ACECRO