smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)OCC[N+](C)(C)CCC[N+](C)(C)CCOC(=O)N(C)C ZINC000005046553 207074846 /nfs/dbraw/zinc/07/48/46/207074846.db2.gz OXFBYUFOFLXWJC-UHFFFAOYSA-N 2 0 362.515 0.926 40 5 FCBBRP