smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CCS(=O)(=O)CCS(=O)(=O)CC[N+]2(C)CCOCC2)CCOCC1 ZINC000004831639 569012574 /nfs/dbraw/zinc/01/25/74/569012574.db2.gz LRURXTMXOFNRLO-UHFFFAOYSA-N 2 0 414.590 -1.230 50 5 HABARP