smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CC2C[NH+](CC=C)CC(C1)C2(C)C ZINC000026984392 166352898 /nfs/dbraw/zinc/35/28/98/166352898.db2.gz JIXWFVDDQFNOIV-UHFFFAOYSA-N 2 1 234.387 2.248 1 30 BEEFMP