smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCC(=O)[O-] ZINC000033411593 519126306 /nfs/dbraw/zinc/12/63/06/519126306.db2.gz OAOWOJLWEZHCCY-NDENLUEZSA-N -2 0 478.501 4.401 10 30 JIEERL O=S(=O)(c1ccc([O-])c(/N=C/c2cccnc2)c1)c1ccc([O-])c(/N=C/c2cccnc2)c1 ZINC000022015178 527277716 /nfs/dbraw/zinc/27/77/16/527277716.db2.gz GNCMGFCRGQKNOX-DPCVLPDWSA-N -2 0 458.499 4.222 10 30 JIEERL