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+](C)(C)CCO[P@](=O)([O-])OC[C@@H](CO)OC=O ZINC000094437778 717138427 /nfs/dbraw/zinc/13/84/27/717138427.db2.gz WOBXACRJIURDTO-SECBINFHSA-O 0 1 286.241 -0.640 1 5 in-vitro,metabolite CBBFMN C[N+](C)(C)CCO[P@](=O)([O-])OC[C@H](CO)OC=O ZINC000094437779 717138768 /nfs/dbraw/zinc/13/87/68/717138768.db2.gz WOBXACRJIURDTO-VIFPVBQESA-O 0 1 286.241 -0.640 1 5 in-vitro,metabolite CBBFMN