smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH2+]C1CC[NH+](C)CC1 49855356 166123726 /nfs/dbraw/zinc/12/37/26/166123726.db2.gz GHRJLJXDRQYMJG-UHFFFAOYSA-N 2 1 168.284 1.246 40 30 ADEBMP