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@]1(CCCOc2ccc(N)cc2)NC(=N)NC(=[NH2+])N1c1ccccc1 ZINC000001703067 132382315 /nfs/dbraw/zinc/38/23/15/132382315.db2.gz GXLIPJWSFDZQNU-IBGZPJMESA-N 1 3 352.442 2.294 40 10 FECBHO