smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000010159002 1069261750 /nfs/dbraw/zinc/26/17/50/1069261750.db2.gz ZLLKUWDEPZYUML-UHFFFAOYSA-N -2 0 471.495 0.674 20 0 JCADRL O=C([N-]NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn(-c2ccccc2)cc1[O-] ZINC000010159164 1069261830 /nfs/dbraw/zinc/26/18/30/1069261830.db2.gz CDPXFNYZPPLIPC-UHFFFAOYSA-N -2 0 471.495 0.674 20 0 JCADRL O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000010159221 1069261647 /nfs/dbraw/zinc/26/16/47/1069261647.db2.gz FDJJIYKATPVFRK-UHFFFAOYSA-N -2 0 499.549 0.993 20 0 JCADRL Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000010159226 1069261808 /nfs/dbraw/zinc/26/18/08/1069261808.db2.gz SWKSSHYJVNCEKE-UHFFFAOYSA-N -2 0 485.522 0.982 20 0 JCADRL COc1cc(C(=O)NCC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])cc(OC)c1OC 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