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-]c1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000987771 551593097 /nfs/dbraw/zinc/59/30/97/551593097.db2.gz JYPUMZOTTSSJIT-UHFFFAOYSA-N -1 3 521.415 5.158 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000001301921 551638176 /nfs/dbraw/zinc/63/81/76/551638176.db2.gz ITCOWSBAYTXBHQ-ANOKCIKSSA-N -1 3 547.592 5.512 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000001815394 551707300 /nfs/dbraw/zinc/70/73/00/551707300.db2.gz BFUMWFUBEKUPJU-CCDWMCETSA-N -1 3 584.799 6.866 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002055013 551739710 /nfs/dbraw/zinc/73/97/10/551739710.db2.gz RYQCSPDGOXODPM-UHFFFAOYSA-N -1 3 526.456 5.824 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002056201 551740126 /nfs/dbraw/zinc/74/01/26/551740126.db2.gz AMVVDAIAFFKKFF-UHFFFAOYSA-N -1 3 577.903 7.222 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000002220835 551795973 /nfs/dbraw/zinc/79/59/73/551795973.db2.gz ACWZLUCEXNVHEH-DSNGMDLFSA-N -1 3 531.977 6.028 50 5 KKBAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000002746793 552174100 /nfs/dbraw/zinc/17/41/00/552174100.db2.gz RGSYOFCCZQPDOO-NRFANRHFSA-N -1 3 545.777 5.321 50 5 KKBAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009009574 553199295 /nfs/dbraw/zinc/19/92/95/553199295.db2.gz JWJMOAGUGRHVMR-ZGQJUUMOSA-N -1 3 521.573 5.183 50 5 KKBAHM CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000025154459 553798010 /nfs/dbraw/zinc/79/80/10/553798010.db2.gz DIYCIKXYXFKQOQ-UHFFFAOYSA-N -1 3 504.543 5.901 50 5 KKBAHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000097950081 553803498 /nfs/dbraw/zinc/80/34/98/553803498.db2.gz KODCQAWGQSAKNC-UHFFFAOYSA-N -1 3 554.426 5.658 50 5 KKBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 ZINC000097952130 553813288 /nfs/dbraw/zinc/81/32/88/553813288.db2.gz ZPYUWLTTYHWHBP-DSNGMDLFSA-N -1 3 541.541 5.073 50 5 KKBAHM CCOc1ccc([N-]C(=S)NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000097959877 553866832 /nfs/dbraw/zinc/86/68/32/553866832.db2.gz FWEOIKVYIQNWLL-UHFFFAOYSA-N -1 3 530.606 6.123 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000097997089 554039457 /nfs/dbraw/zinc/03/94/57/554039457.db2.gz QAKNOOSLYLTUCQ-UHFFFAOYSA-N -1 3 616.325 7.270 50 5 KKBAHM CCOc1ccc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)cc([N+](=O)[O-])c2)cc1 ZINC000098006809 554062465 /nfs/dbraw/zinc/06/24/65/554062465.db2.gz UBDPGYFRDWJUJW-UHFFFAOYSA-N -1 3 648.417 7.591 50 5 KKBAHM COc1cc(-c2c3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4Br)sc3nc3c2CCCC3)cc(Br)c1[O-] ZINC000098048917 554162315 /nfs/dbraw/zinc/16/23/15/554162315.db2.gz QDUPYGHFHXZZEG-UHFFFAOYSA-N -1 3 648.333 6.824 50 5 KKBAHM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]C(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1 ZINC000101002503 554553103 /nfs/dbraw/zinc/55/31/03/554553103.db2.gz GAMHRDIDRRSYDO-JOCHJYFZSA-N -1 3 502.918 5.157 50 5 KKBAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000101095159 554584221 /nfs/dbraw/zinc/58/42/21/554584221.db2.gz WMZUMKLGYFTYLW-JVPIYLDOSA-N -1 3 535.600 5.492 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917717 554850915 /nfs/dbraw/zinc/85/09/15/554850915.db2.gz ZGVFAMYWNQJVAS-UHFFFAOYSA-N -1 3 581.626 5.576 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000102748482 555042590 /nfs/dbraw/zinc/04/25/90/555042590.db2.gz VFDJNELIPCLBFQ-ISJGIBHGSA-N -1 3 550.354 6.213 50 5 KKBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102754532 555046344 /nfs/dbraw/zinc/04/63/44/555046344.db2.gz WHORAWYKUZATPJ-JCYYIGJDSA-N -1 3 549.539 5.174 50 5 KKBAHM O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102887211 555118589 /nfs/dbraw/zinc/11/85/89/555118589.db2.gz PQIBSHXKQSCGPU-UUQNIDNHSA-N -1 3 559.553 5.590 50 5 KKBAHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000102955472 555173693 /nfs/dbraw/zinc/17/36/93/555173693.db2.gz KFEOLJDEGCLTGP-UHFFFAOYSA-N -1 3 535.409 5.555 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000103402748 555389055 /nfs/dbraw/zinc/38/90/55/555389055.db2.gz VAUITUAPZSLRJR-INIZCTEOSA-N -1 3 585.589 5.489 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103404252 555390617 /nfs/dbraw/zinc/39/06/17/555390617.db2.gz WIBXEXJKYRLMRU-UHFFFAOYSA-N -1 3 563.636 5.519 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103404366 555390629 /nfs/dbraw/zinc/39/06/29/555390629.db2.gz KKAXTKHPQQWLOW-UHFFFAOYSA-N -1 3 581.626 5.658 50 5 KKBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000103426077 555406984 /nfs/dbraw/zinc/40/69/84/555406984.db2.gz BIGMRZKZUVTTFA-UHFFFAOYSA-N -1 3 617.606 5.518 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103425971 555407033 /nfs/dbraw/zinc/40/70/33/555407033.db2.gz FKSZLVIAIVNHAD-UHFFFAOYSA-N -1 3 575.647 5.499 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000104059199 571372086 /nfs/dbraw/zinc/37/20/86/571372086.db2.gz BSYIHBQFXRTASG-NLDZOOGBSA-N -1 3 579.565 5.182 50 5 KKBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000106021084 571410895 /nfs/dbraw/zinc/41/08/95/571410895.db2.gz PXYSLKZLVKDHQE-MPFGFTFXSA-N -1 3 579.565 5.264 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000137835674 571450574 /nfs/dbraw/zinc/45/05/74/571450574.db2.gz DWUDWRLVTZJRNQ-ISJGIBHGSA-N -1 3 515.909 5.559 50 5 KKBAHM Cc1cc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5ccc(Cl)cc5)cc4C(F)(F)F)c3Cl)cc([N+](=O)[O-])c2)ccc1Cl ZINC000150368444 571465380 /nfs/dbraw/zinc/46/53/80/571465380.db2.gz UHCDQGLBHSJREY-UHFFFAOYSA-N -1 3 636.801 8.637 50 5 KKBAHM CCCC[C@H](CC)Cn1c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000150456256 571504587 /nfs/dbraw/zinc/50/45/87/571504587.db2.gz XNURPPMMQTZCLV-NRFANRHFSA-N -1 3 644.710 7.011 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000227009885 572146817 /nfs/dbraw/zinc/14/68/17/572146817.db2.gz KCQXYCBKGSSDBT-OIFRRMEBSA-N -1 3 629.647 5.202 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000227024120 572147265 /nfs/dbraw/zinc/14/72/65/572147265.db2.gz LEVZZQYMTBONFN-ZONZVBGPSA-N -1 3 569.957 5.519 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000227072638 572148751 /nfs/dbraw/zinc/14/87/51/572148751.db2.gz ODVUFQBIYPEETO-ZGIBFIJWSA-N -1 3 579.565 5.182 50 5 KKBAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000229600336 572155182 /nfs/dbraw/zinc/15/51/82/572155182.db2.gz JWJMOAGUGRHVMR-XZSHTLEFSA-N -1 3 521.573 5.183 50 5 KKBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 ZINC000229988146 572177238 /nfs/dbraw/zinc/17/72/38/572177238.db2.gz ZPYUWLTTYHWHBP-ISJGIBHGSA-N -1 3 541.541 5.073 50 5 KKBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000245328710 572235269 /nfs/dbraw/zinc/23/52/69/572235269.db2.gz WUEIGWUXFIVMAO-JCYYIGJDSA-N -1 3 549.539 5.174 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000248337237 572258327 /nfs/dbraw/zinc/25/83/27/572258327.db2.gz PPCVFMUUBPASDY-WPQKMFINSA-N -1 3 561.619 5.903 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001317212 551640717 /nfs/dbraw/zinc/64/07/17/551640717.db2.gz VFDJNELIPCLBFQ-UBFVSLLYSA-N -1 3 550.354 6.213 50 5 KKBAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O ZINC000002897819 552212318 /nfs/dbraw/zinc/21/23/18/552212318.db2.gz DPRWYLCSQSGEBK-UHFFFAOYSA-N -1 3 511.515 5.505 50 5 KKBAHM Cc1ccc(Sc2ccc(C(=O)[N-]c3nnc(SCc4ccc(Cl)cc4)s3)cc2[N+](=O)[O-])cc1 ZINC000003428710 552385036 /nfs/dbraw/zinc/38/50/36/552385036.db2.gz VNVYKUNRAZRQQV-UHFFFAOYSA-N -1 3 529.068 7.104 50 5 KKBAHM CC(=O)N1CCc2c(sc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2-c2nc3ccccc3s2)C1 ZINC000009639621 553292824 /nfs/dbraw/zinc/29/28/24/553292824.db2.gz YMZGWTBDASYBLI-UHFFFAOYSA-N -1 3 513.000 5.743 50 5 KKBAHM Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012446492 553366566 /nfs/dbraw/zinc/36/65/66/553366566.db2.gz UOWKOYNZHWBHFO-UHFFFAOYSA-N -1 3 505.512 5.258 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000013770164 553489352 /nfs/dbraw/zinc/48/93/52/553489352.db2.gz DWUDWRLVTZJRNQ-UBFVSLLYSA-N -1 3 515.909 5.559 50 5 KKBAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000020212806 553611731 /nfs/dbraw/zinc/61/17/31/553611731.db2.gz WRBMETWLINAPQY-QFIPXVFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000020212806 553611732 /nfs/dbraw/zinc/61/17/32/553611732.db2.gz WRBMETWLINAPQY-QFIPXVFZSA-N -1 3 509.747 6.151 50 5 KKBAHM COc1cc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1[O-] ZINC000079482850 553672848 /nfs/dbraw/zinc/67/28/48/553672848.db2.gz XQBKLASENKQWQG-UHFFFAOYSA-N -1 3 517.582 6.726 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000098000479 554051276 /nfs/dbraw/zinc/05/12/76/554051276.db2.gz ABQOSJGJZIYKCL-UHFFFAOYSA-N -1 3 611.939 7.649 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000098006808 554062489 /nfs/dbraw/zinc/06/24/89/554062489.db2.gz MWQDOMACEDJTCZ-UHFFFAOYSA-N -1 3 622.354 7.331 50 5 KKBAHM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]C(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1 ZINC000101012637 554558487 /nfs/dbraw/zinc/55/84/87/554558487.db2.gz ZOQXWUBNBJAOEP-QFIPXVFZSA-N -1 3 502.918 5.157 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917827 554851150 /nfs/dbraw/zinc/85/11/50/554851150.db2.gz OODRKWNRXXZMKJ-UHFFFAOYSA-N -1 3 581.626 5.576 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cc(C)ccc1C ZINC000102033264 554868300 /nfs/dbraw/zinc/86/83/00/554868300.db2.gz MYFLQHMGTCBYTH-RBUKOAKNSA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033301 554868322 /nfs/dbraw/zinc/86/83/22/554868322.db2.gz GTTDTNHVLFDKDE-ROUUACIJSA-N -1 3 557.673 5.103 50 5 KKBAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000102560667 554967912 /nfs/dbraw/zinc/96/79/12/554967912.db2.gz PPCVFMUUBPASDY-QODLHPCFSA-N -1 3 561.619 5.903 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102744240 555035480 /nfs/dbraw/zinc/03/54/80/555035480.db2.gz WEYAEDVRPLAJQN-DSNGMDLFSA-N -1 3 534.355 6.106 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102887741 555119893 /nfs/dbraw/zinc/11/98/93/555119893.db2.gz QBNRBOVWXWPHPX-UUQNIDNHSA-N -1 3 559.553 5.590 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000102974280 555184073 /nfs/dbraw/zinc/18/40/73/555184073.db2.gz XFILOKFZRPTWTH-WRVRXEDSSA-N -1 3 623.662 6.412 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(Cl)c1 ZINC000103432293 555413837 /nfs/dbraw/zinc/41/38/37/555413837.db2.gz YQNANRQVQARFTR-INIZCTEOSA-N -1 3 602.044 6.003 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(OC)cc1 ZINC000103435104 555417384 /nfs/dbraw/zinc/41/73/84/555417384.db2.gz GODQIFHCTQWZCD-LJQANCHMSA-N -1 3 593.662 5.527 50 5 KKBAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000106018392 571410548 /nfs/dbraw/zinc/41/05/48/571410548.db2.gz ZTBXZOFYYWFZSK-YPAWHYETSA-N -1 3 558.772 5.070 50 5 KKBAHM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(Cc3ccc(Nc4c([N+](=O)[O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 ZINC000150629351 571523876 /nfs/dbraw/zinc/52/38/76/571523876.db2.gz JDIQRIOAFSAFLQ-UHFFFAOYSA-N -1 3 620.447 6.214 50 5 KKBAHM C[C@](C(=O)c1cccc([N+](=O)[O-])c1Cl)(C1=Nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n21 ZINC000150639959 571524631 /nfs/dbraw/zinc/52/46/31/571524631.db2.gz SRTYGXRRRBPKBW-WJOKGBTCSA-N -1 3 790.928 5.742 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000227024110 572147300 /nfs/dbraw/zinc/14/73/00/572147300.db2.gz LEVZZQYMTBONFN-OYUWMTPXSA-N -1 3 569.957 5.519 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000229945608 572172315 /nfs/dbraw/zinc/17/23/15/572172315.db2.gz XSUMLPOZXOCJPB-UPRLRBBYSA-N -1 3 555.612 6.163 50 5 KKBAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C ZINC000229957251 572174046 /nfs/dbraw/zinc/17/40/46/572174046.db2.gz FXZOKGRNFKHJRE-UPRLRBBYSA-N -1 3 715.693 5.207 50 5 KKBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000229968531 572175442 /nfs/dbraw/zinc/17/54/42/572175442.db2.gz NDDWDIUNRULTLD-BHDDXSALSA-N -1 3 555.996 5.154 50 5 KKBAHM Cc1ccc([N-]c2c(C(=O)N3CC(=O)Nc4ccccc43)cc([N+](=O)[O-])c(Nc3ccc(C)cc3)c2[N+](=O)[O-])cc1 ZINC000006245463 193876671 /nfs/dbraw/zinc/87/66/71/193876671.db2.gz CWBPYJWPHPTOOH-UHFFFAOYSA-N -1 3 552.547 6.206 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl ZINC000001858636 551716698 /nfs/dbraw/zinc/71/66/98/551716698.db2.gz NUQAOTBLAUAECF-UHFFFAOYSA-N -1 3 588.329 7.675 50 5 KKBAHM O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc([N+](=O)[O-])c1 ZINC000008440870 553038706 /nfs/dbraw/zinc/03/87/06/553038706.db2.gz GDZGALNTCDZPRK-UHFFFAOYSA-N -1 3 520.241 5.223 50 5 KKBAHM O=C([N-]c1sc2c(c1C(=O)Nc1cccc3ccccc31)CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000008445653 553054716 /nfs/dbraw/zinc/05/47/16/553054716.db2.gz VFIXIUNUNZVPDX-UHFFFAOYSA-N -1 3 505.983 6.846 50 5 KKBAHM COc1cccc([N-]c2c(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000008809817 553148151 /nfs/dbraw/zinc/14/81/51/553148151.db2.gz HJFXCSARUAUHCZ-UHFFFAOYSA-N -1 3 502.867 5.178 50 5 KKBAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009009576 553199480 /nfs/dbraw/zinc/19/94/80/553199480.db2.gz JWJMOAGUGRHVMR-SQRAXXTESA-N -1 3 521.573 5.183 50 5 KKBAHM COc1ccc(-c2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3[O-])n[nH]c2C(F)(F)F)cc1OC ZINC000009410233 553257415 /nfs/dbraw/zinc/25/74/15/553257415.db2.gz BPQAJRWPGYUODZ-UHFFFAOYSA-N -1 3 515.444 5.973 50 5 KKBAHM COc1ccc(-c2n[n-]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212846 553611785 /nfs/dbraw/zinc/61/17/85/553611785.db2.gz MRUFJBDKRYLCAZ-QHCPKHFHSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2[n-]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212846 553611787 /nfs/dbraw/zinc/61/17/87/553611787.db2.gz MRUFJBDKRYLCAZ-QHCPKHFHSA-N -1 3 505.328 5.506 50 5 KKBAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000020212968 553612103 /nfs/dbraw/zinc/61/21/03/553612103.db2.gz KUOQUELIEONXSX-AREMUKBSSA-N -1 3 512.522 5.310 50 5 KKBAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000020212968 553612106 /nfs/dbraw/zinc/61/21/06/553612106.db2.gz KUOQUELIEONXSX-AREMUKBSSA-N -1 3 512.522 5.310 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000097949274 553800815 /nfs/dbraw/zinc/80/08/15/553800815.db2.gz FVDSLRDHXFLGEH-UHFFFAOYSA-N -1 3 711.676 8.546 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000097997091 554039554 /nfs/dbraw/zinc/03/95/54/554039554.db2.gz ULWQFBZUACJMLG-UHFFFAOYSA-N -1 3 730.260 7.797 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1cccc([N+](=O)[O-])c1 ZINC000100999183 554551789 /nfs/dbraw/zinc/55/17/89/554551789.db2.gz IYHYUKZUKWDUEM-NRFANRHFSA-N -1 3 507.337 5.801 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101017527 554561136 /nfs/dbraw/zinc/56/11/36/554561136.db2.gz RFDXMIMCECWFGR-FQEVSTJZSA-N -1 3 507.337 5.801 50 5 KKBAHM COc1ccc2c3ccc(OC(=O)[C@@H]([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc4)c(C)c3oc(=O)c2c1 ZINC000101033951 554565355 /nfs/dbraw/zinc/56/53/55/554565355.db2.gz IQNYHZVBQZBSJE-MHZLTWQESA-N -1 3 543.597 5.197 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917762 554850961 /nfs/dbraw/zinc/85/09/61/554850961.db2.gz MJSCCUZCNDFDKQ-UHFFFAOYSA-N -1 3 567.599 5.268 50 5 KKBAHM CC[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000102033226 554868372 /nfs/dbraw/zinc/86/83/72/554868372.db2.gz UYKSNPGTICXUSV-SFHVURJKSA-N -1 3 557.673 5.103 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102877141 555106717 /nfs/dbraw/zinc/10/67/17/555106717.db2.gz FHJDUXIIMCMZBY-PFBJBMPXSA-N -1 3 604.402 6.172 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102890790 555126116 /nfs/dbraw/zinc/12/61/16/555126116.db2.gz BVDAAQKWCKLXRL-FCEKVYKBSA-N -1 3 583.528 5.013 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102890795 555126239 /nfs/dbraw/zinc/12/62/39/555126239.db2.gz BVDAAQKWCKLXRL-IARZGTGTSA-N -1 3 583.528 5.013 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103434083 555416508 /nfs/dbraw/zinc/41/65/08/555416508.db2.gz YJWXJQSFRZIVJJ-UHFFFAOYSA-N -1 3 579.610 5.330 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000103557450 555446949 /nfs/dbraw/zinc/44/69/49/555446949.db2.gz HNXUXIGIRRUIAS-OVDFTCDZSA-N -1 3 547.592 5.512 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000106015731 571410365 /nfs/dbraw/zinc/41/03/65/571410365.db2.gz ZOBFGCHQGWUOAD-OYUWMTPXSA-N -1 3 606.012 5.067 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000106020937 571410932 /nfs/dbraw/zinc/41/09/32/571410932.db2.gz BBUWHNWAKLCWMN-ZONZVBGPSA-N -1 3 569.957 5.519 50 5 KKBAHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000136662188 571449571 /nfs/dbraw/zinc/44/95/71/571449571.db2.gz LQGYUVVKGQIXFT-UHFFFAOYSA-N -1 3 553.185 8.216 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl ZINC000150368441 571465445 /nfs/dbraw/zinc/46/54/45/571465445.db2.gz FLFUAQGMDJQQNB-UHFFFAOYSA-N -1 3 667.225 8.437 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000150431880 571493903 /nfs/dbraw/zinc/49/39/03/571493903.db2.gz IETYEOPLJFSHLM-UHFFFAOYSA-N -1 3 633.580 5.410 50 5 KKBAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C ZINC000150657831 571527219 /nfs/dbraw/zinc/52/72/19/571527219.db2.gz FXZOKGRNFKHJRE-OZNIXHKMSA-N -1 3 715.693 5.207 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000227066140 572149061 /nfs/dbraw/zinc/14/90/61/572149061.db2.gz WEYAEDVRPLAJQN-CCDWMCETSA-N -1 3 534.355 6.106 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000227234316 572151764 /nfs/dbraw/zinc/15/17/64/572151764.db2.gz XPVKFGFAWTVPEG-CCDWMCETSA-N -1 3 534.355 6.106 50 5 KKBAHM CCCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000230004804 572177871 /nfs/dbraw/zinc/17/78/71/572177871.db2.gz WNUSWKUQRMNRRP-OYUWMTPXSA-N -1 3 515.566 5.605 50 5 KKBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccccc1[N+](=O)[O-])C[C@H](C(C)(C)C)CC2 ZINC000245246400 572219275 /nfs/dbraw/zinc/21/92/75/572219275.db2.gz KNSZFXQHZICIMJ-ZXHXWWIOSA-N -1 3 589.670 5.645 50 5 KKBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245246864 572220336 /nfs/dbraw/zinc/22/03/36/572220336.db2.gz PXYSLKZLVKDHQE-SSBOKUKZSA-N -1 3 579.565 5.264 50 5 KKBAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000245247828 572221108 /nfs/dbraw/zinc/22/11/08/572221108.db2.gz YAXQSZGROMJYRA-DNVJHFABSA-N -1 3 528.348 5.351 50 5 KKBAHM O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247333556 572241652 /nfs/dbraw/zinc/24/16/52/572241652.db2.gz PQIBSHXKQSCGPU-YGGCMVMVSA-N -1 3 559.553 5.590 50 5 KKBAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000248253455 572257221 /nfs/dbraw/zinc/25/72/21/572257221.db2.gz JWJMOAGUGRHVMR-PCEYSVKOSA-N -1 3 521.573 5.183 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000248263261 572257505 /nfs/dbraw/zinc/25/75/05/572257505.db2.gz NFHSKALYPBNTGN-YENKVUBUSA-N -1 3 549.627 5.882 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000248337235 572258318 /nfs/dbraw/zinc/25/83/18/572258318.db2.gz PPCVFMUUBPASDY-CKXMCULTSA-N -1 3 561.619 5.903 50 5 KKBAHM O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000001316318 551640794 /nfs/dbraw/zinc/64/07/94/551640794.db2.gz PQIBSHXKQSCGPU-NBJHOTSESA-N -1 3 559.553 5.590 50 5 KKBAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404725 551661639 /nfs/dbraw/zinc/66/16/39/551661639.db2.gz VUKVZMMRVWQOFU-XMMPIXPASA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404725 551661642 /nfs/dbraw/zinc/66/16/42/551661642.db2.gz VUKVZMMRVWQOFU-XMMPIXPASA-N -1 3 519.355 5.896 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl ZINC000001846510 551714905 /nfs/dbraw/zinc/71/49/05/551714905.db2.gz OFIVVEHHCFCJNQ-UHFFFAOYSA-N -1 3 597.912 7.259 50 5 KKBAHM COC(=O)c1c([N-]C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)scc1-c1ccc2ccccc2c1 ZINC000002773885 552185983 /nfs/dbraw/zinc/18/59/83/552185983.db2.gz RTOXRKQTVJRYIS-UHFFFAOYSA-N -1 3 522.991 7.384 50 5 KKBAHM Cc1ccccc1Oc1cc([N-]C(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 ZINC000003139674 552294524 /nfs/dbraw/zinc/29/45/24/552294524.db2.gz METHYELVPBZCRT-UHFFFAOYSA-N -1 3 534.454 6.071 50 5 KKBAHM CCOc1ccc([N-]C(=S)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000008450845 553059239 /nfs/dbraw/zinc/05/92/39/553059239.db2.gz OFTQWNCEZRWDEX-UHFFFAOYSA-N -1 3 502.596 5.740 50 5 KKBAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn(C34CC5CC(CC(C5)C3)C4)cc1[N+](=O)[O-])C[C@H](CC)CC2 ZINC000008454500 553069056 /nfs/dbraw/zinc/06/90/56/553069056.db2.gz XWFZRRZAJAHBQT-AEBPFMNOSA-N -1 3 526.659 5.722 50 5 KKBAHM O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711533 553125723 /nfs/dbraw/zinc/12/57/23/553125723.db2.gz DHFNEAYYCWQICW-GOSISDBHSA-N -1 3 513.295 5.346 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000013776666 553490043 /nfs/dbraw/zinc/49/00/43/553490043.db2.gz ZKZRMTNQMHPEDV-UBFVSLLYSA-N -1 3 515.909 5.559 50 5 KKBAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000020212809 553611769 /nfs/dbraw/zinc/61/17/69/553611769.db2.gz WRBMETWLINAPQY-JOCHJYFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000020212809 553611770 /nfs/dbraw/zinc/61/17/70/553611770.db2.gz WRBMETWLINAPQY-JOCHJYFZSA-N -1 3 509.747 6.151 50 5 KKBAHM COc1cc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1[O-] ZINC000079487080 553672749 /nfs/dbraw/zinc/67/27/49/553672749.db2.gz MOFLVQBHUUGVIZ-UHFFFAOYSA-N -1 3 503.555 6.335 50 5 KKBAHM O=C([N-]c1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000098006810 554062377 /nfs/dbraw/zinc/06/23/77/554062377.db2.gz HCZBEIJDSSNSIN-UHFFFAOYSA-N -1 3 605.352 6.587 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101017346 554560837 /nfs/dbraw/zinc/56/08/37/554560837.db2.gz DYKTXDVXONKTDM-FQEVSTJZSA-N -1 3 507.337 5.801 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000101076346 554577829 /nfs/dbraw/zinc/57/78/29/554577829.db2.gz VQGSKWNCKIQRPO-UBFVSLLYSA-N -1 3 594.805 6.322 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102555174 554964006 /nfs/dbraw/zinc/96/40/06/554964006.db2.gz LEVZZQYMTBONFN-PFBJBMPXSA-N -1 3 569.957 5.519 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102710033 555016068 /nfs/dbraw/zinc/01/60/68/555016068.db2.gz ACWZLUCEXNVHEH-ISJGIBHGSA-N -1 3 531.977 6.028 50 5 KKBAHM CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000102745898 555037966 /nfs/dbraw/zinc/03/79/66/555037966.db2.gz DIIJGUKJVOJOLH-RGSZASNESA-N -1 3 543.620 5.947 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102754989 555046993 /nfs/dbraw/zinc/04/69/93/555046993.db2.gz NSKVQDNPYBRCIR-QHAWAJNXSA-N -1 3 502.285 5.092 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000102762433 555053145 /nfs/dbraw/zinc/05/31/45/555053145.db2.gz FVWZUVLOVQAJFF-KMDXXIMOSA-N -1 3 507.930 5.088 50 5 KKBAHM COc1ccc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102917058 555144177 /nfs/dbraw/zinc/14/41/77/555144177.db2.gz JEULMRUZMZHBDD-UHFFFAOYSA-N -1 3 537.981 6.032 50 5 KKBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103433865 555416021 /nfs/dbraw/zinc/41/60/21/555416021.db2.gz IRFLZZNPDCUGBF-UHFFFAOYSA-N -1 3 581.651 5.098 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103435162 555417698 /nfs/dbraw/zinc/41/76/98/555417698.db2.gz OVCDOBSAXMPOMC-UHFFFAOYSA-N -1 3 615.590 5.271 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000136063452 571449197 /nfs/dbraw/zinc/44/91/97/571449197.db2.gz ZKZRMTNQMHPEDV-CCDWMCETSA-N -1 3 515.909 5.559 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000150432119 571493806 /nfs/dbraw/zinc/49/38/06/571493806.db2.gz FZEFFRWPAPAGOU-UHFFFAOYSA-N -1 3 666.078 6.418 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000150436886 571496416 /nfs/dbraw/zinc/49/64/16/571496416.db2.gz AZARJFNQYOMLRF-IARZGTGTSA-N -1 3 644.434 5.636 50 5 KKBAHM Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150449885 571502171 /nfs/dbraw/zinc/50/21/71/571502171.db2.gz DLKFXFHHWOSJMG-ARNLJNQMSA-N -1 3 652.845 5.015 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000150462827 571506721 /nfs/dbraw/zinc/50/67/21/571506721.db2.gz LFNFXPWPPSOTIZ-UHFFFAOYSA-N -1 3 659.687 6.381 50 5 KKBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@@H](C(C)(C)C)CC2 ZINC000150647295 571525307 /nfs/dbraw/zinc/52/53/07/571525307.db2.gz ZSYZZLHPWWHBHK-CGESLQSVSA-N -1 3 739.803 6.873 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000150655962 571526805 /nfs/dbraw/zinc/52/68/05/571526805.db2.gz AZARJFNQYOMLRF-JCYYIGJDSA-N -1 3 644.434 5.636 50 5 KKBAHM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5C(=O)c5ccccc5)c([O-])cc4[C@@H]3CC[C@@]12C ZINC000215979247 571590499 /nfs/dbraw/zinc/59/04/99/571590499.db2.gz XZJHCOJNVJPBDL-YBQCXZLTSA-N -1 3 555.627 7.112 50 5 KKBAHM O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000229598274 572155316 /nfs/dbraw/zinc/15/53/16/572155316.db2.gz PQIBSHXKQSCGPU-CILKRHGOSA-N -1 3 559.553 5.590 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000229869390 572163005 /nfs/dbraw/zinc/16/30/05/572163005.db2.gz WHUILLXMHGBPRO-KWXIBIRDSA-N -1 3 650.463 5.176 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000229872937 572163849 /nfs/dbraw/zinc/16/38/49/572163849.db2.gz ZOBFGCHQGWUOAD-KWXIBIRDSA-N -1 3 606.012 5.067 50 5 KKBAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000229923810 572170259 /nfs/dbraw/zinc/17/02/59/572170259.db2.gz YAXQSZGROMJYRA-YTFSRNRJSA-N -1 3 528.348 5.351 50 5 KKBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000229949323 572172957 /nfs/dbraw/zinc/17/29/57/572172957.db2.gz KEIOUNZRSOINTR-UPRLRBBYSA-N -1 3 549.539 5.174 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000229948144 572173025 /nfs/dbraw/zinc/17/30/25/572173025.db2.gz UZEJOLNVKPMBNZ-ISJGIBHGSA-N -1 3 550.354 6.213 50 5 KKBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000229953214 572173597 /nfs/dbraw/zinc/17/35/97/572173597.db2.gz WUEIGWUXFIVMAO-UPRLRBBYSA-N -1 3 549.539 5.174 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245246468 572219451 /nfs/dbraw/zinc/21/94/51/572219451.db2.gz MGXMYFRTHHVETP-DYIKCSJPSA-N -1 3 593.592 5.654 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000245246490 572219852 /nfs/dbraw/zinc/21/98/52/572219852.db2.gz MTYNENLYGAFTQZ-MJSOWUPRSA-N -1 3 623.618 5.663 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000245329147 572235589 /nfs/dbraw/zinc/23/55/89/572235589.db2.gz XSUMLPOZXOCJPB-JCYYIGJDSA-N -1 3 555.612 6.163 50 5 KKBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@H](C(C)(C)C)CC2 ZINC000245329495 572236012 /nfs/dbraw/zinc/23/60/12/572236012.db2.gz ZSYZZLHPWWHBHK-IAINETDOSA-N -1 3 739.803 6.873 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000253487468 572290579 /nfs/dbraw/zinc/29/05/79/572290579.db2.gz KSFYBRZTBGDRCL-CILKRHGOSA-N -1 3 575.646 6.211 50 5 KKBAHM COc1cc([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)cc([N+](=O)[O-])c1 ZINC000000825589 551544813 /nfs/dbraw/zinc/54/48/13/551544813.db2.gz DTEVNLRAAXQSPQ-UHFFFAOYSA-N -1 3 536.264 5.347 50 5 KKBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000001885422 551725442 /nfs/dbraw/zinc/72/54/42/551725442.db2.gz PXYSLKZLVKDHQE-YTCPBCGMSA-N -1 3 579.565 5.264 50 5 KKBAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000002746794 552174049 /nfs/dbraw/zinc/17/40/49/552174049.db2.gz RGSYOFCCZQPDOO-OAQYLSRUSA-N -1 3 545.777 5.321 50 5 KKBAHM Cc1nn(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)cc3)o2)c(C)c1[N+](=O)[O-] ZINC000002754270 552177190 /nfs/dbraw/zinc/17/71/90/552177190.db2.gz QQIFUCWBDRPSKQ-UHFFFAOYSA-N -1 3 537.598 5.028 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002915540 552216535 /nfs/dbraw/zinc/21/65/35/552216535.db2.gz ULQFPLBKEJZUIS-UHFFFAOYSA-N -1 3 575.912 6.788 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000008444884 553052214 /nfs/dbraw/zinc/05/22/14/553052214.db2.gz YGPWNMHNELYNAA-UHFFFAOYSA-N -1 3 647.997 8.646 50 5 KKBAHM CC(C)COc1cccc(-c2cc(C(=O)NC(=S)[N-]c3ccccc3[N+](=O)[O-])c3ccccc3n2)c1 ZINC000008450835 553059228 /nfs/dbraw/zinc/05/92/28/553059228.db2.gz FIPKBYYCZOKOKG-UHFFFAOYSA-N -1 3 500.580 5.972 50 5 KKBAHM CCOc1cc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc(Br)c1[O-] ZINC000008856504 553167562 /nfs/dbraw/zinc/16/75/62/553167562.db2.gz CGMBSRHFJVHWRO-UHFFFAOYSA-N -1 3 504.811 8.242 50 5 KKBAHM O=C([N-]c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100477872 554401155 /nfs/dbraw/zinc/40/11/55/554401155.db2.gz WMYCTLBVGLMKEO-UHFFFAOYSA-N -1 3 565.238 5.131 50 5 KKBAHM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]C(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1 ZINC000101002501 554553048 /nfs/dbraw/zinc/55/30/48/554553048.db2.gz GAMHRDIDRRSYDO-QFIPXVFZSA-N -1 3 502.918 5.157 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084566 554580304 /nfs/dbraw/zinc/58/03/04/554580304.db2.gz HLZGPFAMGMVLRE-DSNGMDLFSA-N -1 3 560.360 5.668 50 5 KKBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000102033240 554868281 /nfs/dbraw/zinc/86/82/81/554868281.db2.gz PCWXEQFXXGIZJL-KRWDZBQOSA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033306 554868340 /nfs/dbraw/zinc/86/83/40/554868340.db2.gz GTTDTNHVLFDKDE-QZTJIDSGSA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000102033297 554868352 /nfs/dbraw/zinc/86/83/52/554868352.db2.gz GTTDTNHVLFDKDE-MSOLQXFVSA-N -1 3 557.673 5.103 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000102744126 555035301 /nfs/dbraw/zinc/03/53/01/555035301.db2.gz GUCSZVFFEVMVRB-CCDWMCETSA-N -1 3 533.899 5.698 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102744243 555035497 /nfs/dbraw/zinc/03/54/97/555035497.db2.gz WEYAEDVRPLAJQN-UBFVSLLYSA-N -1 3 534.355 6.106 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl ZINC000102766785 555055460 /nfs/dbraw/zinc/05/54/60/555055460.db2.gz VOSIDTGGCYSXFF-PWRODBHTSA-N -1 3 518.740 5.606 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102877148 555106693 /nfs/dbraw/zinc/10/66/93/555106693.db2.gz FHJDUXIIMCMZBY-VJGNERBWSA-N -1 3 604.402 6.172 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102877567 555107004 /nfs/dbraw/zinc/10/70/04/555107004.db2.gz SUUFERUYZMLAHJ-NLDZOOGBSA-N -1 3 614.010 5.836 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102894972 555133495 /nfs/dbraw/zinc/13/34/95/555133495.db2.gz BWYFQTHFDLOHJB-OLUZHXLYSA-N -1 3 585.572 6.018 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102973819 555183556 /nfs/dbraw/zinc/18/35/56/555183556.db2.gz ODVUFQBIYPEETO-MPFGFTFXSA-N -1 3 579.565 5.182 50 5 KKBAHM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000102975583 555185611 /nfs/dbraw/zinc/18/56/11/555185611.db2.gz WYJOTHUUDYILGG-ZDUSSCGKSA-N -1 3 601.943 5.260 50 5 KKBAHM C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000102975667 555186045 /nfs/dbraw/zinc/18/60/45/555186045.db2.gz SHVWJUDABUOHMI-LLVKDONJSA-N -1 3 607.255 6.193 50 5 KKBAHM COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)cc1 ZINC000103403940 555389942 /nfs/dbraw/zinc/38/99/42/555389942.db2.gz RCBHMHXPGYFNBJ-UHFFFAOYSA-N -1 3 579.635 5.137 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(Cl)c1 ZINC000103404031 555390245 /nfs/dbraw/zinc/39/02/45/555390245.db2.gz GFVXWLLGODTELL-INIZCTEOSA-N -1 3 588.042 5.134 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103404313 555390570 /nfs/dbraw/zinc/39/05/70/555390570.db2.gz UJWIIQVGYMUSMI-UHFFFAOYSA-N -1 3 597.616 5.356 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103426108 555407444 /nfs/dbraw/zinc/40/74/44/555407444.db2.gz YWGNQNZWCHYHTK-UHFFFAOYSA-N -1 3 611.643 5.673 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103435069 555417348 /nfs/dbraw/zinc/41/73/48/555417348.db2.gz MTLSMKDRLKGRPZ-UHFFFAOYSA-N -1 3 581.626 5.658 50 5 KKBAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000103552788 555444917 /nfs/dbraw/zinc/44/49/17/555444917.db2.gz WMZUMKLGYFTYLW-ACIRYHQQSA-N -1 3 535.600 5.492 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106020175 571410903 /nfs/dbraw/zinc/41/09/03/571410903.db2.gz BVDAAQKWCKLXRL-JCYYIGJDSA-N -1 3 583.528 5.013 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000150506875 571519175 /nfs/dbraw/zinc/51/91/75/571519175.db2.gz PAOPIWYYLCQCMA-UHFFFAOYSA-N -1 3 629.617 5.579 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000150648532 571525289 /nfs/dbraw/zinc/52/52/89/571525289.db2.gz WHUILLXMHGBPRO-OYUWMTPXSA-N -1 3 650.463 5.176 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000245245177 572217298 /nfs/dbraw/zinc/21/72/98/572217298.db2.gz BFUMWFUBEKUPJU-ISJGIBHGSA-N -1 3 584.799 6.866 50 5 KKBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245247577 572221081 /nfs/dbraw/zinc/22/10/81/572221081.db2.gz WHORAWYKUZATPJ-OZNIXHKMSA-N -1 3 549.539 5.174 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247312118 572241367 /nfs/dbraw/zinc/24/13/67/572241367.db2.gz ITCOWSBAYTXBHQ-BYBRNZAOSA-N -1 3 547.592 5.512 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000248334050 572258285 /nfs/dbraw/zinc/25/82/85/572258285.db2.gz KUEKYYDBCBGJPW-WPQKMFINSA-N -1 3 561.619 5.903 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848540 551549354 /nfs/dbraw/zinc/54/93/54/551549354.db2.gz NDDULNGURDOOSM-UHFFFAOYSA-N -1 3 543.845 6.614 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000855929 551550416 /nfs/dbraw/zinc/55/04/16/551550416.db2.gz ZMJJKBITYRGQEZ-UHFFFAOYSA-N -1 3 538.417 5.902 50 5 KKBAHM CCN(CC)c1cccc(Oc2cc([N-]C(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 ZINC000002052759 551738955 /nfs/dbraw/zinc/73/89/55/551738955.db2.gz ITPCKEAULNCTIW-UHFFFAOYSA-N -1 3 591.550 6.609 50 5 KKBAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1cc(Sc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000003014243 552260520 /nfs/dbraw/zinc/26/05/20/552260520.db2.gz XQQBEBSFBWYMOD-UHFFFAOYSA-N -1 3 548.581 5.038 50 5 KKBAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1cc(Sc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000003014243 552260523 /nfs/dbraw/zinc/26/05/23/552260523.db2.gz XQQBEBSFBWYMOD-UHFFFAOYSA-N -1 3 548.581 5.038 50 5 KKBAHM Cc1cc(C)c([N-]C(=S)NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000008450836 553059284 /nfs/dbraw/zinc/05/92/84/553059284.db2.gz KMHKUGMEEJKZLV-UHFFFAOYSA-N -1 3 514.607 6.341 50 5 KKBAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000016038905 553552747 /nfs/dbraw/zinc/55/27/47/553552747.db2.gz JWJMOAGUGRHVMR-GURVGDRESA-N -1 3 521.573 5.183 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000018096715 553604095 /nfs/dbraw/zinc/60/40/95/553604095.db2.gz HYBUQLUCDVUQJM-DSNGMDLFSA-N -1 3 515.909 5.559 50 5 KKBAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212842 553611741 /nfs/dbraw/zinc/61/17/41/553611741.db2.gz HZYYBICYPRIYFG-HSZRJFAPSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212842 553611742 /nfs/dbraw/zinc/61/17/42/553611742.db2.gz HZYYBICYPRIYFG-HSZRJFAPSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212855 553612093 /nfs/dbraw/zinc/61/20/93/553612093.db2.gz KNJIDCFBFXCQQJ-HSZRJFAPSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212855 553612095 /nfs/dbraw/zinc/61/20/95/553612095.db2.gz KNJIDCFBFXCQQJ-HSZRJFAPSA-N -1 3 505.328 5.506 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1cccc([N+](=O)[O-])c1 ZINC000100999187 554551743 /nfs/dbraw/zinc/55/17/43/554551743.db2.gz IYHYUKZUKWDUEM-OAQYLSRUSA-N -1 3 507.337 5.801 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccc([N+](=O)[O-])cc1 ZINC000101007378 554555454 /nfs/dbraw/zinc/55/54/54/554555454.db2.gz YQCQNCMMZYAIDQ-NRFANRHFSA-N -1 3 507.337 5.801 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000101076347 554577844 /nfs/dbraw/zinc/57/78/44/554577844.db2.gz VQGSKWNCKIQRPO-DSNGMDLFSA-N -1 3 594.805 6.322 50 5 KKBAHM CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000102033248 554868365 /nfs/dbraw/zinc/86/83/65/554868365.db2.gz MYFLQHMGTCBYTH-MOPGFXCFSA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(C)cc1 ZINC000102034142 554868623 /nfs/dbraw/zinc/86/86/23/554868623.db2.gz MKUHELQWCIJPBB-FQEVSTJZSA-N -1 3 577.663 5.827 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102747798 555041681 /nfs/dbraw/zinc/04/16/81/555041681.db2.gz HYBUQLUCDVUQJM-ISJGIBHGSA-N -1 3 515.909 5.559 50 5 KKBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000102862081 555091947 /nfs/dbraw/zinc/09/19/47/555091947.db2.gz GAKOOUXIFVPRHC-DSNGMDLFSA-N -1 3 561.616 5.071 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102896314 555136013 /nfs/dbraw/zinc/13/60/13/555136013.db2.gz LBNYTRPIGAZBEM-NLDZOOGBSA-N -1 3 579.565 5.182 50 5 KKBAHM C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000102975126 555184700 /nfs/dbraw/zinc/18/47/00/555184700.db2.gz GJHRPFWEXAZYED-GFCCVEGCSA-N -1 3 589.907 5.391 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(Cl)c1 ZINC000103404029 555390197 /nfs/dbraw/zinc/39/01/97/555390197.db2.gz GFVXWLLGODTELL-MRXNPFEDSA-N -1 3 588.042 5.134 50 5 KKBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103432329 555414146 /nfs/dbraw/zinc/41/41/46/555414146.db2.gz FLJFTLDNSZYQCM-OAHLLOKOSA-N -1 3 564.064 5.140 50 5 KKBAHM CCCN(C)C(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103433787 555415817 /nfs/dbraw/zinc/41/58/17/555415817.db2.gz DIBSYQFIYCENQR-UHFFFAOYSA-N -1 3 557.673 5.057 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(Cl)c1 ZINC000103434196 555416736 /nfs/dbraw/zinc/41/67/36/555416736.db2.gz PNCLGTVZAQXTAL-JKSUJKDBSA-N -1 3 564.064 5.140 50 5 KKBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103434190 555416757 /nfs/dbraw/zinc/41/67/57/555416757.db2.gz PNCLGTVZAQXTAL-CVEARBPZSA-N -1 3 564.064 5.140 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000103547504 555441598 /nfs/dbraw/zinc/44/15/98/555441598.db2.gz ITCOWSBAYTXBHQ-OVDFTCDZSA-N -1 3 547.592 5.512 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103551430 555443660 /nfs/dbraw/zinc/44/36/60/555443660.db2.gz LRNYNWZTGLBQKI-OVDFTCDZSA-N -1 3 582.037 6.166 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000106020451 571410899 /nfs/dbraw/zinc/41/08/99/571410899.db2.gz BWYFQTHFDLOHJB-JFHPUIQFSA-N -1 3 585.572 6.018 50 5 KKBAHM [O-]c1c(-c2c3ccccc3cc3ccccc32)cc2ccccc2c1-c1c(O)c(-c2c3ccccc3cc3ccccc32)cc2ccccc21 ZINC000150340493 571457868 /nfs/dbraw/zinc/45/78/68/571457868.db2.gz XJKZPSCYLJRHEN-UHFFFAOYSA-N -1 3 638.766 13.018 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000150432051 571493864 /nfs/dbraw/zinc/49/38/64/571493864.db2.gz OPSPIAGQRBVLGR-UHFFFAOYSA-N -1 3 649.623 5.903 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000150441865 571498682 /nfs/dbraw/zinc/49/86/82/571498682.db2.gz BLQINMDZPYITAU-UHFFFAOYSA-N -1 3 631.633 5.825 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(C)cc1 ZINC000150479660 571511762 /nfs/dbraw/zinc/51/17/62/571511762.db2.gz VYKSHHCIHVLBMQ-LJQANCHMSA-N -1 3 645.660 6.215 50 5 KKBAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000245246392 572219386 /nfs/dbraw/zinc/21/93/86/572219386.db2.gz KEIOUNZRSOINTR-JCYYIGJDSA-N -1 3 549.539 5.174 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000248263259 572257488 /nfs/dbraw/zinc/25/74/88/572257488.db2.gz NFHSKALYPBNTGN-JIOPRJIZSA-N -1 3 549.627 5.882 50 5 KKBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NNC=C3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)c4ccccc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000158651298 1072828895 /nfs/dbraw/zinc/82/88/95/1072828895.db2.gz DLIKBCWZENVQJM-UQQQWYQISA-N -1 3 651.623 6.176 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(OC)cc([N+](=O)[O-])c4)c(Br)c3n2)cc1 ZINC000000825534 551544711 /nfs/dbraw/zinc/54/47/11/551544711.db2.gz OFLQGCWPVUVEQY-UHFFFAOYSA-N -1 3 566.290 5.355 50 5 KKBAHM Cc1cccc(Oc2cc([N-]C(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 ZINC000000855930 551550322 /nfs/dbraw/zinc/55/03/22/551550322.db2.gz XOWJUICXGBHOGE-UHFFFAOYSA-N -1 3 534.454 6.071 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000001864068 551717551 /nfs/dbraw/zinc/71/75/51/551717551.db2.gz GXHOICHGOBQPGE-UHFFFAOYSA-N -1 3 571.874 7.160 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000002055044 551739682 /nfs/dbraw/zinc/73/96/82/551739682.db2.gz LPLVWKFRPWXXDI-UHFFFAOYSA-N -1 3 553.884 7.021 50 5 KKBAHM Cc1cccc(Oc2cc([N-]C(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 ZINC000003139681 552294465 /nfs/dbraw/zinc/29/44/65/552294465.db2.gz XLYYVDNOIANJEF-UHFFFAOYSA-N -1 3 540.483 6.133 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000008398411 552999217 /nfs/dbraw/zinc/99/92/17/552999217.db2.gz NSRURDWHMAOPJI-UHFFFAOYSA-N -1 3 701.250 8.094 50 5 KKBAHM C[C@H]1CCc2c(sc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(=O)Nc2cccc3ccccc32)C1 ZINC000008445665 553054704 /nfs/dbraw/zinc/05/47/04/553054704.db2.gz CCTNQUHQPOOSKG-HNNXBMFYSA-N -1 3 520.010 7.092 50 5 KKBAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn(C34CC5CC(CC(C5)C3)C4)cc1[N+](=O)[O-])C[C@@H](CC)CC2 ZINC000008454501 553069024 /nfs/dbraw/zinc/06/90/24/553069024.db2.gz XWFZRRZAJAHBQT-GLCHGYBISA-N -1 3 526.659 5.722 50 5 KKBAHM O=C([N-]c1nc(-c2ccc(OC(F)F)cc2)cs1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000013959458 553497698 /nfs/dbraw/zinc/49/76/98/553497698.db2.gz QTEKQSMCKIPEEL-UHFFFAOYSA-N -1 3 515.542 5.694 50 5 KKBAHM CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Cl)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000025155644 553798538 /nfs/dbraw/zinc/79/85/38/553798538.db2.gz WBISPFDAGBAIQY-UHFFFAOYSA-N -1 3 510.934 5.937 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1c2ccccc2cc2ccccc21 ZINC000097954137 553821648 /nfs/dbraw/zinc/82/16/48/553821648.db2.gz JWHXOMINVDSPGA-MPFGFTFXSA-N -1 3 539.418 7.351 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000097954630 553824378 /nfs/dbraw/zinc/82/43/78/553824378.db2.gz NFHSKALYPBNTGN-XAEBNIDXSA-N -1 3 549.627 5.882 50 5 KKBAHM Cc1cccc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)cc([N+](=O)[O-])c2)c1 ZINC000097997124 554039947 /nfs/dbraw/zinc/03/99/47/554039947.db2.gz RFJXSIDCUZPPAC-UHFFFAOYSA-N -1 3 618.391 7.500 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000097997791 554040590 /nfs/dbraw/zinc/04/05/90/554040590.db2.gz CWHNNNYTTIYVHA-UHFFFAOYSA-N -1 3 638.809 7.845 50 5 KKBAHM CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000101117762 554643339 /nfs/dbraw/zinc/64/33/39/554643339.db2.gz DIIJGUKJVOJOLH-SLQPCKNISA-N -1 3 543.620 5.947 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000101344026 554736598 /nfs/dbraw/zinc/73/65/98/554736598.db2.gz NFHSKALYPBNTGN-UUZIFAJNSA-N -1 3 549.627 5.882 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917721 554850949 /nfs/dbraw/zinc/85/09/49/554850949.db2.gz TYNBJXZABCUOPI-UHFFFAOYSA-N -1 3 577.663 5.745 50 5 KKBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000102033233 554868296 /nfs/dbraw/zinc/86/82/96/554868296.db2.gz PCWXEQFXXGIZJL-QGZVFWFLSA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1cccc(Cl)c1 ZINC000102034103 554868530 /nfs/dbraw/zinc/86/85/30/554868530.db2.gz DNMIHTCZENZJBU-GOSISDBHSA-N -1 3 598.081 6.172 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(F)cc1 ZINC000102034202 554868863 /nfs/dbraw/zinc/86/88/63/554868863.db2.gz GBKVKBMAHFNQJU-SFHVURJKSA-N -1 3 581.626 5.658 50 5 KKBAHM O=c1c2cc(I)ccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1cccc([N+](=O)[O-])c1 ZINC000102462806 554935314 /nfs/dbraw/zinc/93/53/14/554935314.db2.gz DDXNHUJERLTZQG-RUDMXATFSA-N -1 3 590.171 5.537 50 5 KKBAHM CCCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000102707922 555015586 /nfs/dbraw/zinc/01/55/86/555015586.db2.gz WNUSWKUQRMNRRP-KWXIBIRDSA-N -1 3 515.566 5.605 50 5 KKBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000102743373 555033882 /nfs/dbraw/zinc/03/38/82/555033882.db2.gz WUEIGWUXFIVMAO-OZNIXHKMSA-N -1 3 549.539 5.174 50 5 KKBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102754530 555046245 /nfs/dbraw/zinc/04/62/45/555046245.db2.gz WHORAWYKUZATPJ-UPRLRBBYSA-N -1 3 549.539 5.174 50 5 KKBAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102762980 555053294 /nfs/dbraw/zinc/05/32/94/555053294.db2.gz YAXQSZGROMJYRA-RJGXRXQPSA-N -1 3 528.348 5.351 50 5 KKBAHM C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000102975664 555185988 /nfs/dbraw/zinc/18/59/88/555185988.db2.gz SHVWJUDABUOHMI-NSHDSACASA-N -1 3 607.255 6.193 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103396122 555381353 /nfs/dbraw/zinc/38/13/53/555381353.db2.gz RPIYTBYUYXYEER-UHFFFAOYSA-N -1 3 585.589 5.489 50 5 KKBAHM CCCN(C)C(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103397754 555383608 /nfs/dbraw/zinc/38/36/08/555383608.db2.gz IVLMVRRZDZZBMQ-UHFFFAOYSA-N -1 3 557.673 5.057 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103425657 555406643 /nfs/dbraw/zinc/40/66/43/555406643.db2.gz ODITVULHOJRZHY-UHFFFAOYSA-N -1 3 575.647 5.499 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103431060 555413183 /nfs/dbraw/zinc/41/31/83/555413183.db2.gz NRMADQFFFGHMDA-UHFFFAOYSA-N -1 3 565.583 5.022 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000103430956 555413215 /nfs/dbraw/zinc/41/32/15/555413215.db2.gz AUUQFUBEJJMNEA-UHFFFAOYSA-N -1 3 561.620 5.191 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(Cl)c1 ZINC000103432291 555413804 /nfs/dbraw/zinc/41/38/04/555413804.db2.gz YQNANRQVQARFTR-MRXNPFEDSA-N -1 3 602.044 6.003 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(OC)cc1 ZINC000103435106 555417332 /nfs/dbraw/zinc/41/73/32/555417332.db2.gz GODQIFHCTQWZCD-IBGZPJMESA-N -1 3 593.662 5.527 50 5 KKBAHM O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000103540510 555438036 /nfs/dbraw/zinc/43/80/36/555438036.db2.gz PQIBSHXKQSCGPU-KCIBBDPESA-N -1 3 559.553 5.590 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000103545476 555440422 /nfs/dbraw/zinc/44/04/22/555440422.db2.gz QBNRBOVWXWPHPX-KCIBBDPESA-N -1 3 559.553 5.590 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103551443 555443785 /nfs/dbraw/zinc/44/37/85/555443785.db2.gz LRNYNWZTGLBQKI-MFUXGYHDSA-N -1 3 582.037 6.166 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103557456 555446889 /nfs/dbraw/zinc/44/68/89/555446889.db2.gz HNXUXIGIRRUIAS-MFUXGYHDSA-N -1 3 547.592 5.512 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000104059202 571372077 /nfs/dbraw/zinc/37/20/77/571372077.db2.gz BSYIHBQFXRTASG-NHKHRBQYSA-N -1 3 579.565 5.182 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000106013698 571410331 /nfs/dbraw/zinc/41/03/31/571410331.db2.gz MTYNENLYGAFTQZ-OJDZSJEKSA-N -1 3 623.618 5.663 50 5 KKBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1 ZINC000150432496 571494251 /nfs/dbraw/zinc/49/42/51/571494251.db2.gz PORUDNBYDONPHJ-UHFFFAOYSA-N -1 3 668.050 5.408 50 5 KKBAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000150441026 571498197 /nfs/dbraw/zinc/49/81/97/571498197.db2.gz WRWDXTPZIZYFOL-AVQUNYNYSA-N -1 3 672.119 7.394 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccccc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000150490335 571517072 /nfs/dbraw/zinc/51/70/72/571517072.db2.gz XHUOQDAVFUBXPP-UHFFFAOYSA-N -1 3 631.633 5.907 50 5 KKBAHM COc1ccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)cc1 ZINC000150490326 571517084 /nfs/dbraw/zinc/51/70/84/571517084.db2.gz UOXQHGFSIMXZHG-UHFFFAOYSA-N -1 3 661.659 5.915 50 5 KKBAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@@H](C(C)(C)C)CC2 ZINC000229874641 572164664 /nfs/dbraw/zinc/16/46/64/572164664.db2.gz ZSYZZLHPWWHBHK-HFUFDUGKSA-N -1 3 739.803 6.873 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000229923398 572170300 /nfs/dbraw/zinc/17/03/00/572170300.db2.gz GUCSZVFFEVMVRB-ISJGIBHGSA-N -1 3 533.899 5.698 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000245327001 572233532 /nfs/dbraw/zinc/23/35/32/572233532.db2.gz NOMWOLSPSJFZEY-WXFUMESZSA-N -1 3 507.930 5.088 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000245327744 572234093 /nfs/dbraw/zinc/23/40/93/572234093.db2.gz PWBZMRUOQXZBRM-UBFVSLLYSA-N -1 3 582.407 5.206 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245329143 572235662 /nfs/dbraw/zinc/23/56/62/572235662.db2.gz XROAXZMEDVJKCF-PWRODBHTSA-N -1 3 502.285 5.092 50 5 KKBAHM O=[N+]([O-])c1ccc(Nc2cc(S(=O)(=O)c3ccc(O)c(Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)ccc2[O-])c([N+](=O)[O-])c1 ZINC000110329678 1071157843 /nfs/dbraw/zinc/15/78/43/1071157843.db2.gz NIXPQBHILTWZHX-UHFFFAOYSA-N -1 3 612.489 5.051 50 5 KKBAHM COc1cc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Cl)cc([N+](=O)[O-])c1 ZINC000000845285 551548645 /nfs/dbraw/zinc/54/86/45/551548645.db2.gz FWZGFTNKAIJZFG-UHFFFAOYSA-N -1 3 570.709 6.000 50 5 KKBAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404717 551661735 /nfs/dbraw/zinc/66/17/35/551661735.db2.gz JUSCWSIJWZVXCU-XMMPIXPASA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404717 551661737 /nfs/dbraw/zinc/66/17/37/551661737.db2.gz JUSCWSIJWZVXCU-XMMPIXPASA-N -1 3 519.355 5.896 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002056192 551739883 /nfs/dbraw/zinc/73/98/83/551739883.db2.gz FTZAPTNWXAMUGB-UHFFFAOYSA-N -1 3 599.978 7.572 50 5 KKBAHM O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]c(C(F)(F)F)c3-c3ccc(Br)cc3)c([O-])c2)cc1 ZINC000002428062 552117202 /nfs/dbraw/zinc/11/72/02/552117202.db2.gz ZHGQZJSLDNFTRO-UHFFFAOYSA-N -1 3 534.288 6.718 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000002908704 552213163 /nfs/dbraw/zinc/21/31/63/552213163.db2.gz KBZGBZNDFYWCEV-UHFFFAOYSA-N -1 3 598.335 7.130 50 5 KKBAHM O=C([N-]c1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002921058 552220289 /nfs/dbraw/zinc/22/02/89/552220289.db2.gz AZNIJQKCZBXQQH-UHFFFAOYSA-N -1 3 595.346 7.131 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000003038160 552272328 /nfs/dbraw/zinc/27/23/28/552272328.db2.gz HHBIIXPXAAZKSV-UHFFFAOYSA-N -1 3 594.358 7.736 50 5 KKBAHM CCCCCc1ccc(OCCCCNC(=O)c2cc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3c2[O-])c(CCCCC)c1 ZINC000004583443 552468981 /nfs/dbraw/zinc/46/89/81/552468981.db2.gz PDMWDQNLONOHDT-UHFFFAOYSA-N -1 3 612.767 9.300 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl ZINC000008444891 553052529 /nfs/dbraw/zinc/05/25/29/553052529.db2.gz AJUVBNRIUDKKMB-UHFFFAOYSA-N -1 3 619.987 7.609 50 5 KKBAHM CCOc1ccc([N-]C(=S)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000008450843 553059231 /nfs/dbraw/zinc/05/92/31/553059231.db2.gz OKFUNVDHFGSSSM-UHFFFAOYSA-N -1 3 506.971 5.989 50 5 KKBAHM CC(=O)N1CCc2c(sc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2-c2nc3ccccc3s2)C1 ZINC000012378174 553361808 /nfs/dbraw/zinc/36/18/08/553361808.db2.gz PMZZJGNFBNZQPP-UHFFFAOYSA-N -1 3 513.000 5.743 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000018045209 553602196 /nfs/dbraw/zinc/60/21/96/553602196.db2.gz XROAXZMEDVJKCF-QHAWAJNXSA-N -1 3 502.285 5.092 50 5 KKBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 ZINC000097952129 553813194 /nfs/dbraw/zinc/81/31/94/553813194.db2.gz ZPYUWLTTYHWHBP-UBFVSLLYSA-N -1 3 541.541 5.073 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000097997092 554039592 /nfs/dbraw/zinc/03/95/92/554039592.db2.gz PUBAMAZUMKCHSC-UHFFFAOYSA-N -1 3 638.809 7.845 50 5 KKBAHM O=C([N-]c1ccc([N+](=O)[O-])cc1Cl)c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl ZINC000100086561 554209100 /nfs/dbraw/zinc/20/91/00/554209100.db2.gz MGCPGYOFHKLUPV-UHFFFAOYSA-N -1 3 530.677 6.536 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccc([N+](=O)[O-])cc1 ZINC000101007379 554555471 /nfs/dbraw/zinc/55/54/71/554555471.db2.gz YQCQNCMMZYAIDQ-OAQYLSRUSA-N -1 3 507.337 5.801 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101017531 554561130 /nfs/dbraw/zinc/56/11/30/554561130.db2.gz RFDXMIMCECWFGR-HXUWFJFHSA-N -1 3 507.337 5.801 50 5 KKBAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000102544713 554958777 /nfs/dbraw/zinc/95/87/77/554958777.db2.gz KUEKYYDBCBGJPW-QODLHPCFSA-N -1 3 561.619 5.903 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl ZINC000102766786 555055450 /nfs/dbraw/zinc/05/54/50/555055450.db2.gz VOSIDTGGCYSXFF-NJDAHSKKSA-N -1 3 518.740 5.606 50 5 KKBAHM C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000102975123 555184570 /nfs/dbraw/zinc/18/45/70/555184570.db2.gz GJHRPFWEXAZYED-LBPRGKRZSA-N -1 3 589.907 5.391 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(Cl)c1 ZINC000103434192 555416807 /nfs/dbraw/zinc/41/68/07/555416807.db2.gz PNCLGTVZAQXTAL-HOTGVXAUSA-N -1 3 564.064 5.140 50 5 KKBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000105796034 571408761 /nfs/dbraw/zinc/40/87/61/571408761.db2.gz SOBMLYLWTNXPKK-TWJOJJKGSA-N -1 3 574.387 5.570 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000106020936 571410884 /nfs/dbraw/zinc/41/08/84/571410884.db2.gz BBUWHNWAKLCWMN-OYUWMTPXSA-N -1 3 569.957 5.519 50 5 KKBAHM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000137568499 571450465 /nfs/dbraw/zinc/45/04/65/571450465.db2.gz AOALKDZKDYFDQM-YTFSRNRJSA-N -1 3 512.349 5.515 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000150415439 571485576 /nfs/dbraw/zinc/48/55/76/571485576.db2.gz WCMTWYVEPIEPRK-DSNGMDLFSA-N -1 3 623.428 5.979 50 5 KKBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(OC)cc1 ZINC000150432208 571494056 /nfs/dbraw/zinc/49/40/56/571494056.db2.gz RQVDVKABCMDIPM-UHFFFAOYSA-N -1 3 647.632 5.527 50 5 KKBAHM Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150657983 571527213 /nfs/dbraw/zinc/52/72/13/571527213.db2.gz DLKFXFHHWOSJMG-JBRSBNLGSA-N -1 3 652.845 5.015 50 5 KKBAHM O=[N+]([O-])c1ccc(-c2cc3ccccc3c(-c3c(O)c(-c4ccc([N+](=O)[O-])cc4)cc4ccccc43)c2[O-])cc1 ZINC000169800146 571560857 /nfs/dbraw/zinc/56/08/57/571560857.db2.gz MCKOBOYULUSWGP-UHFFFAOYSA-N -1 3 528.520 8.222 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000227015989 572146711 /nfs/dbraw/zinc/14/67/11/572146711.db2.gz XFILOKFZRPTWTH-XFCANUNOSA-N -1 3 623.662 6.412 50 5 KKBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227023387 572147594 /nfs/dbraw/zinc/14/75/94/572147594.db2.gz SOBMLYLWTNXPKK-JIMJEQGWSA-N -1 3 574.387 5.570 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000227026800 572147606 /nfs/dbraw/zinc/14/76/06/572147606.db2.gz ICIAMULZLRCHHA-HZFUHODCSA-N -1 3 555.974 5.878 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227236722 572151792 /nfs/dbraw/zinc/15/17/92/572151792.db2.gz BVDAAQKWCKLXRL-UPRLRBBYSA-N -1 3 583.528 5.013 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000229902730 572168121 /nfs/dbraw/zinc/16/81/21/572168121.db2.gz PPCVFMUUBPASDY-OAJQQGRKSA-N -1 3 561.619 5.903 50 5 KKBAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000229906662 572168439 /nfs/dbraw/zinc/16/84/39/572168439.db2.gz WMZUMKLGYFTYLW-GZNUUUAQSA-N -1 3 535.600 5.492 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl ZINC000229917495 572169054 /nfs/dbraw/zinc/16/90/54/572169054.db2.gz VOSIDTGGCYSXFF-QHAWAJNXSA-N -1 3 518.740 5.606 50 5 KKBAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000248294985 572257926 /nfs/dbraw/zinc/25/79/26/572257926.db2.gz WMZUMKLGYFTYLW-UCDUTVGFSA-N -1 3 535.600 5.492 50 5 KKBAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404704 551661614 /nfs/dbraw/zinc/66/16/14/551661614.db2.gz VDMLERAVLXWDAE-DEOSSOPVSA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404704 551661615 /nfs/dbraw/zinc/66/16/15/551661615.db2.gz VDMLERAVLXWDAE-DEOSSOPVSA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404714 551661648 /nfs/dbraw/zinc/66/16/48/551661648.db2.gz JUSCWSIJWZVXCU-DEOSSOPVSA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404714 551661651 /nfs/dbraw/zinc/66/16/51/551661651.db2.gz JUSCWSIJWZVXCU-DEOSSOPVSA-N -1 3 519.355 5.896 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000001773067 551696894 /nfs/dbraw/zinc/69/68/94/551696894.db2.gz MGXMYFRTHHVETP-OIFRRMEBSA-N -1 3 593.592 5.654 50 5 KKBAHM Cc1cc(Oc2cc([N-]C(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc(C(C)C)c1 ZINC000002069014 551746654 /nfs/dbraw/zinc/74/66/54/551746654.db2.gz GJOOTCCIAIEYPO-UHFFFAOYSA-N -1 3 576.535 7.195 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002254262 551802473 /nfs/dbraw/zinc/80/24/73/551802473.db2.gz CSPJAMSRUOFNTP-FQEVSTJZSA-N -1 3 541.782 6.455 50 5 KKBAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000003134744 552292966 /nfs/dbraw/zinc/29/29/66/552292966.db2.gz GAXOYAJMEWFQCY-UHFFFAOYSA-N -1 3 531.852 6.077 50 5 KKBAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000003134749 552293036 /nfs/dbraw/zinc/29/30/36/552293036.db2.gz CMTFOQJFWCQWAN-UHFFFAOYSA-N -1 3 547.851 5.777 50 5 KKBAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(OC(=O)c3ccccc3[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000003179199 552300297 /nfs/dbraw/zinc/30/02/97/552300297.db2.gz XDJWAOUGFANZTF-UHFFFAOYSA-N -1 3 562.444 5.881 50 5 KKBAHM CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3c2[O-])c(C(C)(C)CC)c1 ZINC000004016297 552427203 /nfs/dbraw/zinc/42/72/03/552427203.db2.gz ZSDDKJNSRHOOHU-UHFFFAOYSA-N -1 3 612.767 9.210 50 5 KKBAHM CCOC(=O)c1sc([N-]C(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)c(C(=O)OC(C)(C)C)c1C ZINC000008431732 553023910 /nfs/dbraw/zinc/02/39/10/553023910.db2.gz QIYOADMQIONGDA-UHFFFAOYSA-N -1 3 530.555 5.521 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(Br)o3)cc2C(F)(F)F)c1Br ZINC000008444882 553052206 /nfs/dbraw/zinc/05/22/06/553052206.db2.gz BOGGIGFUEOFHAO-UHFFFAOYSA-N -1 3 707.257 7.975 50 5 KKBAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000020212812 553611697 /nfs/dbraw/zinc/61/16/97/553611697.db2.gz NTXYRKJYHZPOBV-QFIPXVFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000020212812 553611699 /nfs/dbraw/zinc/61/16/99/553611699.db2.gz NTXYRKJYHZPOBV-QFIPXVFZSA-N -1 3 509.747 6.151 50 5 KKBAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000020212964 553612073 /nfs/dbraw/zinc/61/20/73/553612073.db2.gz KUOQUELIEONXSX-SANMLTNESA-N -1 3 512.522 5.310 50 5 KKBAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000020212964 553612077 /nfs/dbraw/zinc/61/20/77/553612077.db2.gz KUOQUELIEONXSX-SANMLTNESA-N -1 3 512.522 5.310 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)c(Br)c3n2)cc1 ZINC000098006779 554062038 /nfs/dbraw/zinc/06/20/38/554062038.db2.gz HFLAOTHTBVBUHD-UHFFFAOYSA-N -1 3 628.361 7.139 50 5 KKBAHM COc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000100565545 554419772 /nfs/dbraw/zinc/41/97/72/554419772.db2.gz PYYKXKNGLSUZDN-UHFFFAOYSA-N -1 3 521.982 6.798 50 5 KKBAHM CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000102033223 554868334 /nfs/dbraw/zinc/86/83/34/554868334.db2.gz UYKSNPGTICXUSV-GOSISDBHSA-N -1 3 557.673 5.103 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102754990 555047096 /nfs/dbraw/zinc/04/70/96/555047096.db2.gz NSKVQDNPYBRCIR-NJDAHSKKSA-N -1 3 502.285 5.092 50 5 KKBAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000102887108 555118247 /nfs/dbraw/zinc/11/82/47/555118247.db2.gz ZTBXZOFYYWFZSK-BDTNDASRSA-N -1 3 558.772 5.070 50 5 KKBAHM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000102975586 555186020 /nfs/dbraw/zinc/18/60/20/555186020.db2.gz WYJOTHUUDYILGG-CYBMUJFWSA-N -1 3 601.943 5.260 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1cccc(Cl)c1 ZINC000103434194 555416730 /nfs/dbraw/zinc/41/67/30/555416730.db2.gz PNCLGTVZAQXTAL-HZPDHXFCSA-N -1 3 564.064 5.140 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103551436 555443704 /nfs/dbraw/zinc/44/37/04/555443704.db2.gz LRNYNWZTGLBQKI-BYBRNZAOSA-N -1 3 582.037 6.166 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000105796119 571408668 /nfs/dbraw/zinc/40/86/68/571408668.db2.gz PWBZMRUOQXZBRM-DSNGMDLFSA-N -1 3 582.407 5.206 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000105796618 571408954 /nfs/dbraw/zinc/40/89/54/571408954.db2.gz ICIAMULZLRCHHA-JCYYIGJDSA-N -1 3 555.974 5.878 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(Oc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3n2)cc1 ZINC000150368940 571465534 /nfs/dbraw/zinc/46/55/34/571465534.db2.gz MWCQKCMISVQJBD-UHFFFAOYSA-N -1 3 662.806 7.792 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000150432022 571493788 /nfs/dbraw/zinc/49/37/88/571493788.db2.gz BEZFYBZNYNYLQK-UHFFFAOYSA-N -1 3 666.078 6.418 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000227070380 572149026 /nfs/dbraw/zinc/14/90/26/572149026.db2.gz VFDJNELIPCLBFQ-CCDWMCETSA-N -1 3 550.354 6.213 50 5 KKBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000227234262 572151739 /nfs/dbraw/zinc/15/17/39/572151739.db2.gz WHORAWYKUZATPJ-HZFUHODCSA-N -1 3 549.539 5.174 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245247568 572220780 /nfs/dbraw/zinc/22/07/80/572220780.db2.gz WEYAEDVRPLAJQN-ISJGIBHGSA-N -1 3 534.355 6.106 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000248334048 572258110 /nfs/dbraw/zinc/25/81/10/572258110.db2.gz KUEKYYDBCBGJPW-BQUCCUTGSA-N -1 3 561.619 5.903 50 5 KKBAHM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5C(=O)c5ccccc5)c([O-])cc4[C@@H]3CC[C@]12C ZINC000257359034 572322100 /nfs/dbraw/zinc/32/21/00/572322100.db2.gz XZJHCOJNVJPBDL-KKYKRBOVSA-N -1 3 555.627 7.112 50 5 KKBAHM COc1cc([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)cc([N+](=O)[O-])c1 ZINC000000827090 551545432 /nfs/dbraw/zinc/54/54/32/551545432.db2.gz SAAXFMGQRDIIQN-UHFFFAOYSA-N -1 3 542.293 5.408 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000001313550 551639974 /nfs/dbraw/zinc/63/99/74/551639974.db2.gz QBNRBOVWXWPHPX-NBJHOTSESA-N -1 3 559.553 5.590 50 5 KKBAHM CCN(CC)c1cccc(Oc2cc([N-]C(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)cc([N+](=O)[O-])c2)c1 ZINC000001900478 551730630 /nfs/dbraw/zinc/73/06/30/551730630.db2.gz QKCNLZSAIVXBNI-UHFFFAOYSA-N -1 3 555.418 7.756 50 5 KKBAHM CCOc1cc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc(Br)c1[O-] ZINC000002191687 551790105 /nfs/dbraw/zinc/79/01/05/551790105.db2.gz REBFBZAWBRFGEY-UHFFFAOYSA-N -1 3 549.262 8.351 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002254261 551802512 /nfs/dbraw/zinc/80/25/12/551802512.db2.gz CSPJAMSRUOFNTP-HXUWFJFHSA-N -1 3 541.782 6.455 50 5 KKBAHM CCOc1ccc(Oc2cc([N-]C(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 ZINC000003139666 552294422 /nfs/dbraw/zinc/29/44/22/552294422.db2.gz PAUOODSRMMIXJI-UHFFFAOYSA-N -1 3 570.509 6.223 50 5 KKBAHM O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000008711536 553125851 /nfs/dbraw/zinc/12/58/51/553125851.db2.gz DHFNEAYYCWQICW-SFHVURJKSA-N -1 3 513.295 5.346 50 5 KKBAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000020212814 553611704 /nfs/dbraw/zinc/61/17/04/553611704.db2.gz NTXYRKJYHZPOBV-JOCHJYFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000020212814 553611707 /nfs/dbraw/zinc/61/17/07/553611707.db2.gz NTXYRKJYHZPOBV-JOCHJYFZSA-N -1 3 509.747 6.151 50 5 KKBAHM CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000097954375 553822529 /nfs/dbraw/zinc/82/25/29/553822529.db2.gz DIIJGUKJVOJOLH-WEWMWRJBSA-N -1 3 543.620 5.947 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000097954250 553822536 /nfs/dbraw/zinc/82/25/36/553822536.db2.gz GUCSZVFFEVMVRB-DSNGMDLFSA-N -1 3 533.899 5.698 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000097954249 553822650 /nfs/dbraw/zinc/82/26/50/553822650.db2.gz GUCSZVFFEVMVRB-UBFVSLLYSA-N -1 3 533.899 5.698 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000097954705 553824984 /nfs/dbraw/zinc/82/49/84/553824984.db2.gz WVLGEHNEHBKCGS-DSNGMDLFSA-N -1 3 550.354 6.213 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000033353150 553923475 /nfs/dbraw/zinc/92/34/75/553923475.db2.gz YCNDEWDXXONFOP-UHFFFAOYSA-N -1 3 646.323 6.368 50 5 KKBAHM O=C([N-]c1cc(Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000033354217 553929021 /nfs/dbraw/zinc/92/90/21/553929021.db2.gz MNOJYXIVQQVROY-UHFFFAOYSA-N -1 3 666.838 8.282 50 5 KKBAHM COc1cc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)o4)cc3C(F)(F)F)c2Br)cc([N+](=O)[O-])c1 ZINC000033358363 553954761 /nfs/dbraw/zinc/95/47/61/553954761.db2.gz WLYRCPDTYWJHBB-UHFFFAOYSA-N -1 3 605.121 5.702 50 5 KKBAHM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101201072 554672753 /nfs/dbraw/zinc/67/27/53/554672753.db2.gz AOALKDZKDYFDQM-ZRBLBEILSA-N -1 3 512.349 5.515 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cc(C)ccc1C ZINC000102033254 554868267 /nfs/dbraw/zinc/86/82/67/554868267.db2.gz MYFLQHMGTCBYTH-OALUTQOASA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(F)cc1 ZINC000102034199 554868840 /nfs/dbraw/zinc/86/88/40/554868840.db2.gz GBKVKBMAHFNQJU-GOSISDBHSA-N -1 3 581.626 5.658 50 5 KKBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102555939 554964341 /nfs/dbraw/zinc/96/43/41/554964341.db2.gz SOBMLYLWTNXPKK-CYXNTTPDSA-N -1 3 574.387 5.570 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000102754675 555046728 /nfs/dbraw/zinc/04/67/28/555046728.db2.gz WVLGEHNEHBKCGS-ISJGIBHGSA-N -1 3 550.354 6.213 50 5 KKBAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102761299 555052504 /nfs/dbraw/zinc/05/25/04/555052504.db2.gz AOALKDZKDYFDQM-DNVJHFABSA-N -1 3 512.349 5.515 50 5 KKBAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000102887103 555118263 /nfs/dbraw/zinc/11/82/63/555118263.db2.gz ZTBXZOFYYWFZSK-VSKRKVRLSA-N -1 3 558.772 5.070 50 5 KKBAHM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000102963552 555179537 /nfs/dbraw/zinc/17/95/37/555179537.db2.gz BDOZLRVMFRZPEA-UHFFFAOYSA-N -1 3 598.125 6.282 50 5 KKBAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102974258 555184086 /nfs/dbraw/zinc/18/40/86/555184086.db2.gz SEYMZTBNRWSFSB-IDZRBWSNSA-N -1 3 565.582 5.624 50 5 KKBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C)c1C ZINC000103265584 555347341 /nfs/dbraw/zinc/34/73/41/555347341.db2.gz ORPXOLNNKXLNTM-UHFFFAOYSA-N -1 3 581.626 5.578 50 5 KKBAHM CCCN(C)C(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000103403955 555390317 /nfs/dbraw/zinc/39/03/17/555390317.db2.gz USVKCFSOUPJQSI-MRXNPFEDSA-N -1 3 564.064 5.093 50 5 KKBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103433784 555415845 /nfs/dbraw/zinc/41/58/45/555415845.db2.gz HVNQWYSOHDMYCO-UHFFFAOYSA-N -1 3 581.651 5.098 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000136556801 571449460 /nfs/dbraw/zinc/44/94/60/571449460.db2.gz ZKZRMTNQMHPEDV-ISJGIBHGSA-N -1 3 515.909 5.559 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000137862418 571450606 /nfs/dbraw/zinc/45/06/06/571450606.db2.gz NSKVQDNPYBRCIR-PCCBWWKXSA-N -1 3 502.285 5.092 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)c(Cl)c3n2)cc1OC ZINC000150368395 571465456 /nfs/dbraw/zinc/46/54/56/571465456.db2.gz YVCQTSQITOSXFA-UHFFFAOYSA-N -1 3 654.001 7.527 50 5 KKBAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000150407952 571480379 /nfs/dbraw/zinc/48/03/79/571480379.db2.gz QVSNNFQXJWIZPS-UHFFFAOYSA-N -1 3 690.222 6.597 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1cc(C)ccc1C ZINC000150479649 571511803 /nfs/dbraw/zinc/51/18/03/571511803.db2.gz LSXAXJCOUMVJLG-FQEVSTJZSA-N -1 3 659.687 6.524 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000226833771 572143361 /nfs/dbraw/zinc/14/33/61/572143361.db2.gz HYBUQLUCDVUQJM-CCDWMCETSA-N -1 3 515.909 5.559 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000226833839 572143532 /nfs/dbraw/zinc/14/35/32/572143532.db2.gz WVLGEHNEHBKCGS-CCDWMCETSA-N -1 3 550.354 6.213 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000226981311 572146908 /nfs/dbraw/zinc/14/69/08/572146908.db2.gz ACWZLUCEXNVHEH-CCDWMCETSA-N -1 3 531.977 6.028 50 5 KKBAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227251556 572153534 /nfs/dbraw/zinc/15/35/34/572153534.db2.gz SEYMZTBNRWSFSB-FRXPANAUSA-N -1 3 565.582 5.624 50 5 KKBAHM COc1cc([N-]C(=O)c2nn3c(nc(-c4ccc(OC)c(OC)c4)cc3C(F)(F)F)c2Cl)cc([N+](=O)[O-])c1 ZINC000000848651 551549696 /nfs/dbraw/zinc/54/96/96/551549696.db2.gz IPIYYYDYNGXKRR-UHFFFAOYSA-N -1 3 551.865 5.255 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000855932 551550347 /nfs/dbraw/zinc/55/03/47/551550347.db2.gz HXYNJXJQFOTUCB-UHFFFAOYSA-N -1 3 554.872 6.416 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001013691 551596954 /nfs/dbraw/zinc/59/69/54/551596954.db2.gz ZIIXCYWADSFLMV-UHFFFAOYSA-N -1 3 559.913 7.083 50 5 KKBAHM O=C([N-]c1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002056200 551740172 /nfs/dbraw/zinc/74/01/72/551740172.db2.gz ICJSXURHPPTEIO-UHFFFAOYSA-N -1 3 560.901 6.478 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002807252 552196448 /nfs/dbraw/zinc/19/64/48/552196448.db2.gz QHIPETIRKNKCTN-UHFFFAOYSA-N -1 3 560.901 6.478 50 5 KKBAHM CCOc1ccccc1NC(=O)c1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2 ZINC000003671688 552412490 /nfs/dbraw/zinc/41/24/90/552412490.db2.gz RUYQCJDWJDPFKY-UHFFFAOYSA-N -1 3 514.003 6.482 50 5 KKBAHM Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4Cl)c(Cl)c3n2)cc1 ZINC000009035790 553202076 /nfs/dbraw/zinc/20/20/76/553202076.db2.gz GHVCQYLBLLQJJN-UHFFFAOYSA-N -1 3 510.259 6.191 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009349624 553245025 /nfs/dbraw/zinc/24/50/25/553245025.db2.gz XROAXZMEDVJKCF-NJDAHSKKSA-N -1 3 502.285 5.092 50 5 KKBAHM O=C([N-]c1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000097994465 554031777 /nfs/dbraw/zinc/03/17/77/554031777.db2.gz XZFHOMDCLAEUPF-UHFFFAOYSA-N -1 3 527.444 5.219 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccc(Br)o3)cc2C(F)(F)F)c1Br ZINC000098002702 554054229 /nfs/dbraw/zinc/05/42/29/554054229.db2.gz FGDHCPYWQHMFPH-UHFFFAOYSA-N -1 3 685.182 7.625 50 5 KKBAHM COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc([N-]C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 ZINC000100998395 554551568 /nfs/dbraw/zinc/55/15/68/554551568.db2.gz LYLVPPXHHOJXOG-NRFANRHFSA-N -1 3 502.918 5.157 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033313 554868286 /nfs/dbraw/zinc/86/82/86/554868286.db2.gz GTTDTNHVLFDKDE-ZWKOTPCHSA-N -1 3 557.673 5.103 50 5 KKBAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 ZINC000102712923 555017314 /nfs/dbraw/zinc/01/73/14/555017314.db2.gz ZPYUWLTTYHWHBP-CCDWMCETSA-N -1 3 541.541 5.073 50 5 KKBAHM CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000102745893 555037952 /nfs/dbraw/zinc/03/79/52/555037952.db2.gz DIIJGUKJVOJOLH-ZWEKWIFMSA-N -1 3 543.620 5.947 50 5 KKBAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000102749041 555043439 /nfs/dbraw/zinc/04/34/39/555043439.db2.gz KEIOUNZRSOINTR-OZNIXHKMSA-N -1 3 549.539 5.174 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(C)c1C ZINC000102835994 555080270 /nfs/dbraw/zinc/08/02/70/555080270.db2.gz JFPDAKDUSFUMMR-GOSISDBHSA-N -1 3 581.651 5.098 50 5 KKBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102861400 555091663 /nfs/dbraw/zinc/09/16/63/555091663.db2.gz NDDWDIUNRULTLD-FDFHNCONSA-N -1 3 555.996 5.154 50 5 KKBAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1[N+](=O)[O-] ZINC000102930731 555157563 /nfs/dbraw/zinc/15/75/63/555157563.db2.gz IJLTZLQRYFZZEH-UHFFFAOYSA-N -1 3 573.649 5.809 50 5 KKBAHM CCCN(C)C(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103403953 555390034 /nfs/dbraw/zinc/39/00/34/555390034.db2.gz USVKCFSOUPJQSI-INIZCTEOSA-N -1 3 564.064 5.093 50 5 KKBAHM COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)cc1 ZINC000103434188 555416647 /nfs/dbraw/zinc/41/66/47/555416647.db2.gz IDUVNWNJUHAHIW-UHFFFAOYSA-N -1 3 597.625 5.358 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000106016262 571410584 /nfs/dbraw/zinc/41/05/84/571410584.db2.gz FHJDUXIIMCMZBY-ZONZVBGPSA-N -1 3 604.402 6.172 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(Oc5ccc(Cl)c(C)c5)cc([N+](=O)[O-])c4)c(Cl)c3n2)cc1 ZINC000150368564 571465374 /nfs/dbraw/zinc/46/53/74/571465374.db2.gz JXRBDERMXFRPKP-UHFFFAOYSA-N -1 3 632.382 7.992 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1 ZINC000150431874 571493849 /nfs/dbraw/zinc/49/38/49/571493849.db2.gz PTLRZHJMUYACLS-UHFFFAOYSA-N -1 3 650.035 5.924 50 5 KKBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NNC=C3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)c4ccccc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000150444621 571499815 /nfs/dbraw/zinc/49/98/15/571499815.db2.gz DLIKBCWZENVQJM-KOEQRZSOSA-N -1 3 651.623 6.176 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000150648534 571525224 /nfs/dbraw/zinc/52/52/24/571525224.db2.gz WHUILLXMHGBPRO-ZONZVBGPSA-N -1 3 650.463 5.176 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000225219861 571659286 /nfs/dbraw/zinc/65/92/86/571659286.db2.gz BSYIHBQFXRTASG-MPFGFTFXSA-N -1 3 579.565 5.182 50 5 KKBAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000227028695 572148328 /nfs/dbraw/zinc/14/83/28/572148328.db2.gz JUHLQQJCOCXAQM-OYUWMTPXSA-N -1 3 531.565 5.224 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000227245312 572152787 /nfs/dbraw/zinc/15/27/87/572152787.db2.gz LBNYTRPIGAZBEM-ZGIBFIJWSA-N -1 3 579.565 5.182 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000227243186 572152978 /nfs/dbraw/zinc/15/29/78/572152978.db2.gz BWYFQTHFDLOHJB-OJDZSJEKSA-N -1 3 585.572 6.018 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000230201428 572185411 /nfs/dbraw/zinc/18/54/11/572185411.db2.gz NFHSKALYPBNTGN-ZPBGSLHZSA-N -1 3 549.627 5.882 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000248334049 572258335 /nfs/dbraw/zinc/25/83/35/572258335.db2.gz KUEKYYDBCBGJPW-CKXMCULTSA-N -1 3 561.619 5.903 50 5 KKBAHM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5C(=O)c5ccccc5)c([O-])cc4[C@H]3CC[C@@]12C ZINC000257359035 572322123 /nfs/dbraw/zinc/32/21/23/572322123.db2.gz XZJHCOJNVJPBDL-SHNUAUSSSA-N -1 3 555.627 7.112 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000001311686 551639559 /nfs/dbraw/zinc/63/95/59/551639559.db2.gz WVLGEHNEHBKCGS-UBFVSLLYSA-N -1 3 550.354 6.213 50 5 KKBAHM COc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002290356 552088131 /nfs/dbraw/zinc/08/81/31/552088131.db2.gz JVPXVSHUPDTYMR-UHFFFAOYSA-N -1 3 532.534 6.053 50 5 KKBAHM CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002843661 552200163 /nfs/dbraw/zinc/20/01/63/552200163.db2.gz APMORMFFXGSSET-UHFFFAOYSA-N -1 3 506.967 7.073 50 5 KKBAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017859121 553600180 /nfs/dbraw/zinc/60/01/80/553600180.db2.gz AOALKDZKDYFDQM-ZLNRFVROSA-N -1 3 512.349 5.515 50 5 KKBAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212849 553611686 /nfs/dbraw/zinc/61/16/86/553611686.db2.gz MRUFJBDKRYLCAZ-HSZRJFAPSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212849 553611688 /nfs/dbraw/zinc/61/16/88/553611688.db2.gz MRUFJBDKRYLCAZ-HSZRJFAPSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3n2)cc1OC ZINC000096913822 553757881 /nfs/dbraw/zinc/75/78/81/553757881.db2.gz MLSPYJOIGUIHIT-UHFFFAOYSA-N -1 3 708.900 8.160 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000097952012 553812529 /nfs/dbraw/zinc/81/25/29/553812529.db2.gz ACWZLUCEXNVHEH-UBFVSLLYSA-N -1 3 531.977 6.028 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21 ZINC000097954138 553821594 /nfs/dbraw/zinc/82/15/94/553821594.db2.gz JWHXOMINVDSPGA-SSBOKUKZSA-N -1 3 539.418 7.351 50 5 KKBAHM Cc1cc(C)c([N-]C(=S)NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000097959349 553862864 /nfs/dbraw/zinc/86/28/64/553862864.db2.gz ULQVRKPYVNCVML-UHFFFAOYSA-N -1 3 528.634 6.588 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Cl)cc2C2CCCCC2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000033355903 553937941 /nfs/dbraw/zinc/93/79/41/553937941.db2.gz UOBJMBZZBSQVRS-UHFFFAOYSA-N -1 3 676.504 9.784 50 5 KKBAHM O=C([N-]c1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000097997093 554039561 /nfs/dbraw/zinc/03/95/61/554039561.db2.gz DJKQIEUJTKMDBX-UHFFFAOYSA-N -1 3 684.248 7.349 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000097997126 554039887 /nfs/dbraw/zinc/03/98/87/554039887.db2.gz QKABGZQGQRBMMY-UHFFFAOYSA-N -1 3 605.352 6.587 50 5 KKBAHM Cc1ccc(C(C)C)c(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)cc([N+](=O)[O-])c2)c1 ZINC000098006811 554062438 /nfs/dbraw/zinc/06/24/38/554062438.db2.gz YBDJHGGEBIFUGK-UHFFFAOYSA-N -1 3 660.472 8.624 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000100087837 554209753 /nfs/dbraw/zinc/20/97/53/554209753.db2.gz DHFUCTJCZPDZQY-UHFFFAOYSA-N -1 3 611.842 7.633 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084565 554580341 /nfs/dbraw/zinc/58/03/41/554580341.db2.gz HLZGPFAMGMVLRE-UBFVSLLYSA-N -1 3 560.360 5.668 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000101513168 554793377 /nfs/dbraw/zinc/79/33/77/554793377.db2.gz ODVUFQBIYPEETO-NLDZOOGBSA-N -1 3 579.565 5.182 50 5 KKBAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101519653 554793994 /nfs/dbraw/zinc/79/39/94/554793994.db2.gz SEYMZTBNRWSFSB-OCBJUFRSSA-N -1 3 565.582 5.624 50 5 KKBAHM CCCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000102707918 555015659 /nfs/dbraw/zinc/01/56/59/555015659.db2.gz WNUSWKUQRMNRRP-GMQQYTKMSA-N -1 3 515.566 5.605 50 5 KKBAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102748570 555042812 /nfs/dbraw/zinc/04/28/12/555042812.db2.gz JUHLQQJCOCXAQM-ZONZVBGPSA-N -1 3 531.565 5.224 50 5 KKBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000102749036 555043361 /nfs/dbraw/zinc/04/33/61/555043361.db2.gz KEIOUNZRSOINTR-HZFUHODCSA-N -1 3 549.539 5.174 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000102767783 555055839 /nfs/dbraw/zinc/05/58/39/555055839.db2.gz NOMWOLSPSJFZEY-KMDXXIMOSA-N -1 3 507.930 5.088 50 5 KKBAHM CCCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103401693 555387236 /nfs/dbraw/zinc/38/72/36/555387236.db2.gz JJGAVFNRJQMGNV-UHFFFAOYSA-N -1 3 564.064 5.093 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103426132 555407348 /nfs/dbraw/zinc/40/73/48/555407348.db2.gz IJLVDPMMPXPMNE-UHFFFAOYSA-N -1 3 547.609 5.115 50 5 KKBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C(C)C ZINC000103435092 555417397 /nfs/dbraw/zinc/41/73/97/555417397.db2.gz UBBVGYUPVFQXRL-UHFFFAOYSA-N -1 3 583.589 5.110 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105790780 571408559 /nfs/dbraw/zinc/40/85/59/571408559.db2.gz XSUMLPOZXOCJPB-HZFUHODCSA-N -1 3 555.612 6.163 50 5 KKBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000106021082 571410810 /nfs/dbraw/zinc/41/08/10/571410810.db2.gz PXYSLKZLVKDHQE-ZGIBFIJWSA-N -1 3 579.565 5.264 50 5 KKBAHM COc1ccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)cc1 ZINC000150432091 571493878 /nfs/dbraw/zinc/49/38/78/571493878.db2.gz IXSIBGDQNAZSMD-UHFFFAOYSA-N -1 3 661.659 5.773 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1cccc(C)c1C ZINC000150479671 571511832 /nfs/dbraw/zinc/51/18/32/571511832.db2.gz ZHKWFTUVPRAACR-LJQANCHMSA-N -1 3 659.687 6.524 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000150490322 571517088 /nfs/dbraw/zinc/51/70/88/571517088.db2.gz ZVOMWFDMAQMIGY-UHFFFAOYSA-N -1 3 649.623 6.046 50 5 KKBAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C ZINC000150657829 571527208 /nfs/dbraw/zinc/52/72/08/571527208.db2.gz FXZOKGRNFKHJRE-HZFUHODCSA-N -1 3 715.693 5.207 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000226833855 572143347 /nfs/dbraw/zinc/14/33/47/572143347.db2.gz DWUDWRLVTZJRNQ-CCDWMCETSA-N -1 3 515.909 5.559 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000227021673 572147471 /nfs/dbraw/zinc/14/74/71/572147471.db2.gz HLZGPFAMGMVLRE-CCDWMCETSA-N -1 3 560.360 5.668 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl ZINC000227083056 572149604 /nfs/dbraw/zinc/14/96/04/572149604.db2.gz VOSIDTGGCYSXFF-PCCBWWKXSA-N -1 3 518.740 5.606 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000227076604 572149939 /nfs/dbraw/zinc/14/99/39/572149939.db2.gz SUUFERUYZMLAHJ-ZGIBFIJWSA-N -1 3 614.010 5.836 50 5 KKBAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000227230370 572151145 /nfs/dbraw/zinc/15/11/45/572151145.db2.gz ZTBXZOFYYWFZSK-BHDDXSALSA-N -1 3 558.772 5.070 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245327248 572233600 /nfs/dbraw/zinc/23/36/00/572233600.db2.gz NSKVQDNPYBRCIR-PWRODBHTSA-N -1 3 502.285 5.092 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000001311091 551639629 /nfs/dbraw/zinc/63/96/29/551639629.db2.gz KSFYBRZTBGDRCL-AGKKXDHOSA-N -1 3 575.646 6.211 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000001315476 551640431 /nfs/dbraw/zinc/64/04/31/551640431.db2.gz ODVUFQBIYPEETO-NHKHRBQYSA-N -1 3 579.565 5.182 50 5 KKBAHM O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2Cl)c(Cl)c1 ZINC000002157864 551780126 /nfs/dbraw/zinc/78/01/26/551780126.db2.gz MRAJHWVQCDWFPB-UHFFFAOYSA-N -1 3 509.701 6.426 50 5 KKBAHM O=C(Nc1cc(Cc2ccc(O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000003142779 552295035 /nfs/dbraw/zinc/29/50/35/552295035.db2.gz ANGRKWKKZATTLJ-UHFFFAOYSA-N -1 3 528.477 5.010 50 5 KKBAHM CCOc1ccc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Cl)cc([N+](=O)[O-])c2)cc1 ZINC000008397992 552998027 /nfs/dbraw/zinc/99/80/27/552998027.db2.gz HMOSIXRBYKORFC-UHFFFAOYSA-N -1 3 603.966 7.482 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000018099701 553604157 /nfs/dbraw/zinc/60/41/57/553604157.db2.gz DWUDWRLVTZJRNQ-DSNGMDLFSA-N -1 3 515.909 5.559 50 5 KKBAHM Cc1ccc2nc(-c3ccccc3[O-])cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2c1 ZINC000100397882 554371715 /nfs/dbraw/zinc/37/17/15/554371715.db2.gz KWTDYHSLAOVNKC-UHFFFAOYSA-N -1 3 534.524 6.656 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101006940 554554607 /nfs/dbraw/zinc/55/46/07/554554607.db2.gz ANFSMRLUCISXRA-FQEVSTJZSA-N -1 3 525.327 5.941 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101017343 554560818 /nfs/dbraw/zinc/56/08/18/554560818.db2.gz DYKTXDVXONKTDM-HXUWFJFHSA-N -1 3 507.337 5.801 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101196403 554672356 /nfs/dbraw/zinc/67/23/56/554672356.db2.gz HNXUXIGIRRUIAS-ANOKCIKSSA-N -1 3 547.592 5.512 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917790 554851215 /nfs/dbraw/zinc/85/12/15/554851215.db2.gz FUMTZYKWPLZERK-UHFFFAOYSA-N -1 3 567.599 5.268 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(C)cc1 ZINC000102034148 554868571 /nfs/dbraw/zinc/86/85/71/554868571.db2.gz AOVZHXJATSAXPE-GOSISDBHSA-N -1 3 581.626 5.658 50 5 KKBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102555949 554964338 /nfs/dbraw/zinc/96/43/38/554964338.db2.gz SOBMLYLWTNXPKK-NXCFDTQHSA-N -1 3 574.387 5.570 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102758590 555050725 /nfs/dbraw/zinc/05/07/25/555050725.db2.gz XPVKFGFAWTVPEG-UBFVSLLYSA-N -1 3 534.355 6.106 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(C)c1C ZINC000102835997 555080265 /nfs/dbraw/zinc/08/02/65/555080265.db2.gz JFPDAKDUSFUMMR-SFHVURJKSA-N -1 3 581.651 5.098 50 5 KKBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102861401 555091546 /nfs/dbraw/zinc/09/15/46/555091546.db2.gz NDDWDIUNRULTLD-BHIFYINESA-N -1 3 555.996 5.154 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102877571 555107023 /nfs/dbraw/zinc/10/70/23/555107023.db2.gz SUUFERUYZMLAHJ-NHKHRBQYSA-N -1 3 614.010 5.836 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000102894327 555132255 /nfs/dbraw/zinc/13/22/55/555132255.db2.gz BFUMWFUBEKUPJU-UBFVSLLYSA-N -1 3 584.799 6.866 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000102894332 555132324 /nfs/dbraw/zinc/13/23/24/555132324.db2.gz BFUMWFUBEKUPJU-DSNGMDLFSA-N -1 3 584.799 6.866 50 5 KKBAHM O=C([N-]c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000102956495 555173921 /nfs/dbraw/zinc/17/39/21/555173921.db2.gz SBQBIFJNRNVVGO-UHFFFAOYSA-N -1 3 539.397 5.538 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000103402746 555389010 /nfs/dbraw/zinc/38/90/10/555389010.db2.gz VAUITUAPZSLRJR-MRXNPFEDSA-N -1 3 585.589 5.489 50 5 KKBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432499 555414802 /nfs/dbraw/zinc/41/48/02/555414802.db2.gz WBTLNRHSBLHANJ-UHFFFAOYSA-N -1 3 588.042 5.134 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000103435114 555417689 /nfs/dbraw/zinc/41/76/89/555417689.db2.gz HCYGQBVULUVGEU-UHFFFAOYSA-N -1 3 571.562 5.098 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000104054140 571371901 /nfs/dbraw/zinc/37/19/01/571371901.db2.gz KSFYBRZTBGDRCL-KCIBBDPESA-N -1 3 575.646 6.211 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105790782 571408611 /nfs/dbraw/zinc/40/86/11/571408611.db2.gz XSUMLPOZXOCJPB-OZNIXHKMSA-N -1 3 555.612 6.163 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000106015734 571410272 /nfs/dbraw/zinc/41/02/72/571410272.db2.gz ZOBFGCHQGWUOAD-ZONZVBGPSA-N -1 3 606.012 5.067 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000106015294 571410386 /nfs/dbraw/zinc/41/03/86/571410386.db2.gz NZYFSQLOPMUSLX-ZONZVBGPSA-N -1 3 553.502 5.004 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000106015291 571410393 /nfs/dbraw/zinc/41/03/93/571410393.db2.gz NZYFSQLOPMUSLX-OYUWMTPXSA-N -1 3 553.502 5.004 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000106013701 571410397 /nfs/dbraw/zinc/41/03/97/571410397.db2.gz MTYNENLYGAFTQZ-JFHPUIQFSA-N -1 3 623.618 5.663 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000106019026 571410782 /nfs/dbraw/zinc/41/07/82/571410782.db2.gz MGXMYFRTHHVETP-FRXPANAUSA-N -1 3 593.592 5.654 50 5 KKBAHM COc1ccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)cc1 ZINC000150431895 571493791 /nfs/dbraw/zinc/49/37/91/571493791.db2.gz LMBHFFRCZFFGJF-UHFFFAOYSA-N -1 3 645.616 5.279 50 5 KKBAHM CCN(CC)c1cccc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Cl)cc([N+](=O)[O-])c2)c1 ZINC000150438228 571496781 /nfs/dbraw/zinc/49/67/81/571496781.db2.gz RSXUZUKZXQTUHB-UHFFFAOYSA-N -1 3 631.036 7.929 50 5 KKBAHM CCCC[C@@H](CC)Cn1c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000150456251 571504581 /nfs/dbraw/zinc/50/45/81/571504581.db2.gz XNURPPMMQTZCLV-OAQYLSRUSA-N -1 3 644.710 7.011 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1cccc(C)c1C ZINC000150479674 571511697 /nfs/dbraw/zinc/51/16/97/571511697.db2.gz ZHKWFTUVPRAACR-IBGZPJMESA-N -1 3 659.687 6.524 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(C)cc1 ZINC000150479663 571511715 /nfs/dbraw/zinc/51/17/15/571511715.db2.gz VYKSHHCIHVLBMQ-IBGZPJMESA-N -1 3 645.660 6.215 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000227082071 572149919 /nfs/dbraw/zinc/14/99/19/572149919.db2.gz UZEJOLNVKPMBNZ-CCDWMCETSA-N -1 3 550.354 6.213 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000229590649 572154385 /nfs/dbraw/zinc/15/43/85/572154385.db2.gz QBNRBOVWXWPHPX-CILKRHGOSA-N -1 3 559.553 5.590 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000229948361 572173111 /nfs/dbraw/zinc/17/31/11/572173111.db2.gz KUEKYYDBCBGJPW-OAJQQGRKSA-N -1 3 561.619 5.903 50 5 KKBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccccc1[N+](=O)[O-])C[C@@H](C(C)(C)C)CC2 ZINC000245246399 572219240 /nfs/dbraw/zinc/21/92/40/572219240.db2.gz KNSZFXQHZICIMJ-LDFQAZLFSA-N -1 3 589.670 5.645 50 5 KKBAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000248294986 572257900 /nfs/dbraw/zinc/25/79/00/572257900.db2.gz WMZUMKLGYFTYLW-XTQYNZLPSA-N -1 3 535.600 5.492 50 5 KKBAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404711 551661593 /nfs/dbraw/zinc/66/15/93/551661593.db2.gz VDMLERAVLXWDAE-XMMPIXPASA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404711 551661596 /nfs/dbraw/zinc/66/15/96/551661596.db2.gz VDMLERAVLXWDAE-XMMPIXPASA-N -1 3 519.355 5.896 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001900484 551730636 /nfs/dbraw/zinc/73/06/36/551730636.db2.gz PWBZMRUOQXZBRM-CCDWMCETSA-N -1 3 582.407 5.206 50 5 KKBAHM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 ZINC000002255888 552083554 /nfs/dbraw/zinc/08/35/54/552083554.db2.gz XMBQHNOKFMFMFS-OAQYLSRUSA-N -1 3 537.363 5.810 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002565183 552130011 /nfs/dbraw/zinc/13/00/11/552130011.db2.gz XDABOQGHIZSMEM-UHFFFAOYSA-N -1 3 544.446 5.964 50 5 KKBAHM O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000002807274 552196399 /nfs/dbraw/zinc/19/63/99/552196399.db2.gz MVCSSDJEQHUZQO-UHFFFAOYSA-N -1 3 520.427 5.763 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000003139682 552294539 /nfs/dbraw/zinc/29/45/39/552294539.db2.gz YBGQJBJQACBTFX-UHFFFAOYSA-N -1 3 599.323 6.525 50 5 KKBAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000003146087 552297184 /nfs/dbraw/zinc/29/71/84/552297184.db2.gz CIDKBOSTOIVWGH-UHFFFAOYSA-N -1 3 511.317 7.444 50 5 KKBAHM COC(=O)c1c2c(sc1[N-]C(=O)c1nn(C34CC5CC(CC(C5)C3)C4)cc1[N+](=O)[O-])C[C@@H](c1ccccc1)CC2 ZINC000008454507 553069037 /nfs/dbraw/zinc/06/90/37/553069037.db2.gz HIHSRILMKHFEGP-XGMLTQACSA-N -1 3 560.676 6.090 50 5 KKBAHM CC(C)OC(=O)c1c([N-]C(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000008454502 553069043 /nfs/dbraw/zinc/06/90/43/553069043.db2.gz LNWOWVIFBXHIAH-UHFFFAOYSA-N -1 3 512.632 5.474 50 5 KKBAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cc1 ZINC000020212820 553611717 /nfs/dbraw/zinc/61/17/17/553611717.db2.gz SNTLLKRGRSDPBQ-JOCHJYFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cc1 ZINC000020212820 553611719 /nfs/dbraw/zinc/61/17/19/553611719.db2.gz SNTLLKRGRSDPBQ-JOCHJYFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000097954070 553821208 /nfs/dbraw/zinc/82/12/08/553821208.db2.gz UZEJOLNVKPMBNZ-UBFVSLLYSA-N -1 3 550.354 6.213 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000097954445 553823220 /nfs/dbraw/zinc/82/32/20/553823220.db2.gz VFDJNELIPCLBFQ-DSNGMDLFSA-N -1 3 550.354 6.213 50 5 KKBAHM COc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[N-]c2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl ZINC000100065611 554199847 /nfs/dbraw/zinc/19/98/47/554199847.db2.gz PKRUWWOHEBQXOE-UHFFFAOYSA-N -1 3 564.938 6.962 50 5 KKBAHM O=C([N-]c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000100540406 554412798 /nfs/dbraw/zinc/41/27/98/554412798.db2.gz DTLCHEJKJIBHQI-UHFFFAOYSA-N -1 3 509.643 5.506 50 5 KKBAHM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]C(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1 ZINC000101012639 554558428 /nfs/dbraw/zinc/55/84/28/554558428.db2.gz ZOQXWUBNBJAOEP-JOCHJYFZSA-N -1 3 502.918 5.157 50 5 KKBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C(C)(C)C ZINC000101748598 554834453 /nfs/dbraw/zinc/83/44/53/554834453.db2.gz GPOCQIWOIXZDPR-UHFFFAOYSA-N -1 3 597.616 5.284 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1cc(C)ccc1C ZINC000102033257 554868369 /nfs/dbraw/zinc/86/83/69/554868369.db2.gz MYFLQHMGTCBYTH-RTBURBONSA-N -1 3 557.673 5.103 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1ccc(C)cc1 ZINC000102034137 554868586 /nfs/dbraw/zinc/86/85/86/554868586.db2.gz MKUHELQWCIJPBB-HXUWFJFHSA-N -1 3 577.663 5.827 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102744265 555035517 /nfs/dbraw/zinc/03/55/17/555035517.db2.gz XROAXZMEDVJKCF-PCCBWWKXSA-N -1 3 502.285 5.092 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000102762435 555053310 /nfs/dbraw/zinc/05/33/10/555053310.db2.gz FVWZUVLOVQAJFF-TZRRMPRUSA-N -1 3 507.930 5.088 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102893263 555130556 /nfs/dbraw/zinc/13/05/56/555130556.db2.gz LRNYNWZTGLBQKI-ANOKCIKSSA-N -1 3 582.037 6.166 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102894975 555133563 /nfs/dbraw/zinc/13/35/63/555133563.db2.gz BWYFQTHFDLOHJB-YPKYBTACSA-N -1 3 585.572 6.018 50 5 KKBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102896316 555135959 /nfs/dbraw/zinc/13/59/59/555135959.db2.gz LBNYTRPIGAZBEM-NHKHRBQYSA-N -1 3 579.565 5.182 50 5 KKBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103435148 555417694 /nfs/dbraw/zinc/41/76/94/555417694.db2.gz AZTXWJOSEMMKIZ-UHFFFAOYSA-N -1 3 581.626 5.658 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000106020943 571410915 /nfs/dbraw/zinc/41/09/15/571410915.db2.gz LBNYTRPIGAZBEM-MPFGFTFXSA-N -1 3 579.565 5.182 50 5 KKBAHM Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4cc(Oc5cccc(C(F)(F)F)c5)cc([N+](=O)[O-])c4)c(Cl)c3n2)cc1 ZINC000150368569 571465384 /nfs/dbraw/zinc/46/53/84/571465384.db2.gz XYKTVCXRPQVWOL-UHFFFAOYSA-N -1 3 635.908 8.349 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000150415431 571485507 /nfs/dbraw/zinc/48/55/07/571485507.db2.gz WCMTWYVEPIEPRK-UBFVSLLYSA-N -1 3 623.428 5.979 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000150436877 571496378 /nfs/dbraw/zinc/49/63/78/571496378.db2.gz AZARJFNQYOMLRF-FCEKVYKBSA-N -1 3 644.434 5.636 50 5 KKBAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000150441030 571498221 /nfs/dbraw/zinc/49/82/21/571498221.db2.gz WRWDXTPZIZYFOL-CWJACEIZSA-N -1 3 672.119 7.394 50 5 KKBAHM Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150449878 571502135 /nfs/dbraw/zinc/50/21/35/571502135.db2.gz DLKFXFHHWOSJMG-OYRHQHFDSA-N -1 3 652.845 5.015 50 5 KKBAHM O=c1c2cc(I)ccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000150450952 571502840 /nfs/dbraw/zinc/50/28/40/571502840.db2.gz SXGDRFSXUNFAPU-UNXLUWIOSA-N -1 3 624.616 6.190 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000150490331 571516993 /nfs/dbraw/zinc/51/69/93/571516993.db2.gz FGYCCNHVEQHBTO-UHFFFAOYSA-N -1 3 649.623 6.046 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000150490315 571517077 /nfs/dbraw/zinc/51/70/77/571517077.db2.gz XNYRJBOHHOKARO-UHFFFAOYSA-N -1 3 666.078 6.560 50 5 KKBAHM C[C@@](C(=O)c1cccc([N+](=O)[O-])c1Cl)(C1=Nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n21 ZINC000150639956 571524652 /nfs/dbraw/zinc/52/46/52/571524652.db2.gz SRTYGXRRRBPKBW-HKBQPEDESA-N -1 3 790.928 5.742 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000150648089 571525206 /nfs/dbraw/zinc/52/52/06/571525206.db2.gz KCQXYCBKGSSDBT-IDZRBWSNSA-N -1 3 629.647 5.202 50 5 KKBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000227024565 572147691 /nfs/dbraw/zinc/14/76/91/572147691.db2.gz WUEIGWUXFIVMAO-HZFUHODCSA-N -1 3 549.539 5.174 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1c2ccccc2cc2ccccc21 ZINC000230005755 572177614 /nfs/dbraw/zinc/17/76/14/572177614.db2.gz JWHXOMINVDSPGA-ZGIBFIJWSA-N -1 3 539.418 7.351 50 5 KKBAHM CCCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000239432818 572195590 /nfs/dbraw/zinc/19/55/90/572195590.db2.gz WNUSWKUQRMNRRP-ZONZVBGPSA-N -1 3 515.566 5.605 50 5 KKBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000245026615 572200891 /nfs/dbraw/zinc/20/08/91/572200891.db2.gz NDDWDIUNRULTLD-YPAWHYETSA-N -1 3 555.996 5.154 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000245325942 572232124 /nfs/dbraw/zinc/23/21/24/572232124.db2.gz ICIAMULZLRCHHA-OZNIXHKMSA-N -1 3 555.974 5.878 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000245329048 572235129 /nfs/dbraw/zinc/23/51/29/572235129.db2.gz XFILOKFZRPTWTH-XKKJXBDVSA-N -1 3 623.662 6.412 50 5 KKBAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000248337232 572258311 /nfs/dbraw/zinc/25/83/11/572258311.db2.gz PPCVFMUUBPASDY-BQUCCUTGSA-N -1 3 561.619 5.903 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000253487469 572290540 /nfs/dbraw/zinc/29/05/40/572290540.db2.gz KSFYBRZTBGDRCL-UODPJZIASA-N -1 3 575.646 6.211 50 5 KKBAHM Cc1cccc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Cl)cc([N+](=O)[O-])c2)c1 ZINC000001013692 551596980 /nfs/dbraw/zinc/59/69/80/551596980.db2.gz LBNSNJFZAJEIEU-UHFFFAOYSA-N -1 3 573.940 7.391 50 5 KKBAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404721 551661680 /nfs/dbraw/zinc/66/16/80/551661680.db2.gz VUKVZMMRVWQOFU-DEOSSOPVSA-N -1 3 519.355 5.896 50 5 KKBAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404721 551661683 /nfs/dbraw/zinc/66/16/83/551661683.db2.gz VUKVZMMRVWQOFU-DEOSSOPVSA-N -1 3 519.355 5.896 50 5 KKBAHM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 ZINC000002255889 552083513 /nfs/dbraw/zinc/08/35/13/552083513.db2.gz XMBQHNOKFMFMFS-NRFANRHFSA-N -1 3 537.363 5.810 50 5 KKBAHM CC(=O)Nc1ccc(Oc2cc([N-]C(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Cl)cc([N+](=O)[O-])c2)cc1 ZINC000008397984 552998008 /nfs/dbraw/zinc/99/80/08/552998008.db2.gz QFCUOWMYTDPOCK-UHFFFAOYSA-N -1 3 616.965 7.041 50 5 KKBAHM COC(=O)c1c2c(sc1[N-]C(=O)c1nn(C34CC5CC(CC(C5)C3)C4)cc1[N+](=O)[O-])C[C@H](c1ccccc1)CC2 ZINC000008454506 553069049 /nfs/dbraw/zinc/06/90/49/553069049.db2.gz HIHSRILMKHFEGP-LMUPHSRZSA-N -1 3 560.676 6.090 50 5 KKBAHM CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000011757939 553341306 /nfs/dbraw/zinc/34/13/06/553341306.db2.gz TYLZNWMNBNTTCK-UHFFFAOYSA-N -1 3 533.349 5.091 50 5 KKBAHM CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011757940 553341376 /nfs/dbraw/zinc/34/13/76/553341376.db2.gz HWCARXWLLWJQTR-UHFFFAOYSA-N -1 3 533.349 5.091 50 5 KKBAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212852 553611756 /nfs/dbraw/zinc/61/17/56/553611756.db2.gz KNJIDCFBFXCQQJ-QHCPKHFHSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212852 553611757 /nfs/dbraw/zinc/61/17/57/553611757.db2.gz KNJIDCFBFXCQQJ-QHCPKHFHSA-N -1 3 505.328 5.506 50 5 KKBAHM [O-]c1c2c(ccc3ccccc32)cc(-c2ccccc2)c1-c1c(O)c2c(ccc3ccccc32)cc1-c1ccccc1 ZINC000082028080 553673433 /nfs/dbraw/zinc/67/34/33/553673433.db2.gz UFYXKDMLGBKHIC-UHFFFAOYSA-N -1 3 538.646 10.712 50 5 KKBAHM COc1ccc2c3ccc(OC(=O)[C@H]([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc4)c(C)c3oc(=O)c2c1 ZINC000097952682 553817693 /nfs/dbraw/zinc/81/76/93/553817693.db2.gz IQNYHZVBQZBSJE-HHHXNRCGSA-N -1 3 543.597 5.197 50 5 KKBAHM O=C([N-]c1cc(Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000033353369 553924744 /nfs/dbraw/zinc/92/47/44/553924744.db2.gz KWFZOUZEHAYBQG-UHFFFAOYSA-N -1 3 654.877 8.204 50 5 KKBAHM Cc1ccc(Sc2ccc(C=C(Cl)c3nc(=O)c4c(-c5cccs5)csc4[n-]3)cc2[N+](=O)[O-])cc1 ZINC000097981645 553995994 /nfs/dbraw/zinc/99/59/94/553995994.db2.gz RNFQSEQNYAWJPC-WQRHYEAKSA-N -1 3 538.075 8.230 50 5 KKBAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000098000290 554049845 /nfs/dbraw/zinc/04/98/45/554049845.db2.gz SEYMZTBNRWSFSB-JBOQNHBVSA-N -1 3 565.582 5.624 50 5 KKBAHM COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc([N-]C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 ZINC000100998400 554551457 /nfs/dbraw/zinc/55/14/57/554551457.db2.gz LYLVPPXHHOJXOG-OAQYLSRUSA-N -1 3 502.918 5.157 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(C)cc1 ZINC000102034152 554868595 /nfs/dbraw/zinc/86/85/95/554868595.db2.gz AOVZHXJATSAXPE-SFHVURJKSA-N -1 3 581.626 5.658 50 5 KKBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1-c1cccc(Cl)c1 ZINC000102034107 554868609 /nfs/dbraw/zinc/86/86/09/554868609.db2.gz DNMIHTCZENZJBU-SFHVURJKSA-N -1 3 598.081 6.172 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102555189 554964066 /nfs/dbraw/zinc/96/40/66/554964066.db2.gz LEVZZQYMTBONFN-VJGNERBWSA-N -1 3 569.957 5.519 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21 ZINC000102739773 555028644 /nfs/dbraw/zinc/02/86/44/555028644.db2.gz JWHXOMINVDSPGA-YTCPBCGMSA-N -1 3 539.418 7.351 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102758587 555050707 /nfs/dbraw/zinc/05/07/07/555050707.db2.gz XPVKFGFAWTVPEG-DSNGMDLFSA-N -1 3 534.355 6.106 50 5 KKBAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000102762983 555053318 /nfs/dbraw/zinc/05/33/18/555053318.db2.gz YAXQSZGROMJYRA-XPWALMASSA-N -1 3 528.348 5.351 50 5 KKBAHM Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000102899265 555138835 /nfs/dbraw/zinc/13/88/35/555138835.db2.gz KSFYBRZTBGDRCL-UUQNIDNHSA-N -1 3 575.646 6.211 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000102974279 555184009 /nfs/dbraw/zinc/18/40/09/555184009.db2.gz XFILOKFZRPTWTH-WIHCDAFUSA-N -1 3 623.662 6.412 50 5 KKBAHM COC(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc([N+](=O)[O-])c1 ZINC000103049971 555232171 /nfs/dbraw/zinc/23/21/71/555232171.db2.gz BVYWUACYEPAYAC-UHFFFAOYSA-N -1 3 573.027 5.078 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000103392588 555376867 /nfs/dbraw/zinc/37/68/67/555376867.db2.gz QJOBNHAGIQZCCL-UHFFFAOYSA-N -1 3 583.589 5.108 50 5 KKBAHM CC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103432331 555414155 /nfs/dbraw/zinc/41/41/55/555414155.db2.gz FLJFTLDNSZYQCM-HNNXBMFYSA-N -1 3 564.064 5.140 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103435071 555417393 /nfs/dbraw/zinc/41/73/93/555417393.db2.gz JTSSJBQQCCDRJW-UHFFFAOYSA-N -1 3 577.663 5.827 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103551424 555443634 /nfs/dbraw/zinc/44/36/34/555443634.db2.gz LRNYNWZTGLBQKI-ALBQUZEBSA-N -1 3 582.037 6.166 50 5 KKBAHM O=C1[N-]C(=O)C(=Cc2c(Br)cc(OCc3ccc([N+](=O)[O-])cc3)cc2Br)S1 ZINC000103588835 555452111 /nfs/dbraw/zinc/45/21/11/555452111.db2.gz BXLNPBGUFCXCNN-CHHVJCJISA-N -1 3 514.151 5.023 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000106019028 571410650 /nfs/dbraw/zinc/41/06/50/571410650.db2.gz MGXMYFRTHHVETP-IDZRBWSNSA-N -1 3 593.592 5.654 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000150441844 571498640 /nfs/dbraw/zinc/49/86/40/571498640.db2.gz GSPQGYLOEQLVPK-UHFFFAOYSA-N -1 3 645.660 6.134 50 5 KKBAHM Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150657985 571527189 /nfs/dbraw/zinc/52/71/89/571527189.db2.gz DLKFXFHHWOSJMG-VDKIKQQVSA-N -1 3 652.845 5.015 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000229949998 572173420 /nfs/dbraw/zinc/17/34/20/572173420.db2.gz PWBZMRUOQXZBRM-ISJGIBHGSA-N -1 3 582.407 5.206 50 5 KKBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000238899369 572188929 /nfs/dbraw/zinc/18/89/29/572188929.db2.gz GAKOOUXIFVPRHC-UBFVSLLYSA-N -1 3 561.616 5.071 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000247312105 572241312 /nfs/dbraw/zinc/24/13/12/572241312.db2.gz ITCOWSBAYTXBHQ-ALBQUZEBSA-N -1 3 547.592 5.512 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247308460 572241358 /nfs/dbraw/zinc/24/13/58/572241358.db2.gz HNXUXIGIRRUIAS-BYBRNZAOSA-N -1 3 547.592 5.512 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247334064 572241571 /nfs/dbraw/zinc/24/15/71/572241571.db2.gz QBNRBOVWXWPHPX-YGGCMVMVSA-N -1 3 559.553 5.590 50 5 KKBAHM Cc1ccc(Sc2ccc(C=C(Cl)c3nc(=O)c4c(-c5cccs5)csc4[n-]3)cc2[N+](=O)[O-])cc1 ZINC000102964570 1071054104 /nfs/dbraw/zinc/05/41/04/1071054104.db2.gz RNFQSEQNYAWJPC-WOJGMQOQSA-N -1 3 538.075 7.818 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000002069013 551746668 /nfs/dbraw/zinc/74/66/68/551746668.db2.gz HZLNGYGAGUBPPZ-UHFFFAOYSA-N -1 3 589.317 7.070 50 5 KKBAHM CC(C)OC(=O)c1c(-c2cccc(Br)c2)csc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002761819 552182524 /nfs/dbraw/zinc/18/25/24/552182524.db2.gz YJPXOADHMAAZLJ-UHFFFAOYSA-N -1 3 523.792 6.557 50 5 KKBAHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc1[N+](=O)[O-] ZINC000004089569 552434699 /nfs/dbraw/zinc/43/46/99/552434699.db2.gz RNAVLWFBEQMOFH-UHFFFAOYSA-N -1 3 506.540 5.251 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4Cl)c(Br)c3n2)cc1 ZINC000004513291 552462377 /nfs/dbraw/zinc/46/23/77/552462377.db2.gz SJMVRVLUVMALSC-UHFFFAOYSA-N -1 3 570.709 6.000 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000008397994 552998017 /nfs/dbraw/zinc/99/80/17/552998017.db2.gz VPRXJKSBJXVGSW-UHFFFAOYSA-N -1 3 627.910 8.102 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000008400520 553004948 /nfs/dbraw/zinc/00/49/48/553004948.db2.gz KEJBPYBFYMUCMV-UHFFFAOYSA-N -1 3 652.352 6.429 50 5 KKBAHM C[C@@H]1CCc2c(sc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(=O)Nc2cccc3ccccc32)C1 ZINC000008445664 553054727 /nfs/dbraw/zinc/05/47/27/553054727.db2.gz CCTNQUHQPOOSKG-OAHLLOKOSA-N -1 3 520.010 7.092 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009303785 553236607 /nfs/dbraw/zinc/23/66/07/553236607.db2.gz HYBUQLUCDVUQJM-UBFVSLLYSA-N -1 3 515.909 5.559 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000013776667 553489945 /nfs/dbraw/zinc/48/99/45/553489945.db2.gz ZKZRMTNQMHPEDV-DSNGMDLFSA-N -1 3 515.909 5.559 50 5 KKBAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212838 553611748 /nfs/dbraw/zinc/61/17/48/553611748.db2.gz HZYYBICYPRIYFG-QHCPKHFHSA-N -1 3 505.328 5.506 50 5 KKBAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000020212838 553611749 /nfs/dbraw/zinc/61/17/49/553611749.db2.gz HZYYBICYPRIYFG-QHCPKHFHSA-N -1 3 505.328 5.506 50 5 KKBAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cc1 ZINC000020212817 553611778 /nfs/dbraw/zinc/61/17/78/553611778.db2.gz SNTLLKRGRSDPBQ-QFIPXVFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Cl)cc1 ZINC000020212817 553611779 /nfs/dbraw/zinc/61/17/79/553611779.db2.gz SNTLLKRGRSDPBQ-QFIPXVFZSA-N -1 3 509.747 6.151 50 5 KKBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000097954071 553821335 /nfs/dbraw/zinc/82/13/35/553821335.db2.gz UZEJOLNVKPMBNZ-DSNGMDLFSA-N -1 3 550.354 6.213 50 5 KKBAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000097954450 553823189 /nfs/dbraw/zinc/82/31/89/553823189.db2.gz JUHLQQJCOCXAQM-VJGNERBWSA-N -1 3 531.565 5.224 50 5 KKBAHM Cc1sc2[n-]c(C(Cl)=Cc3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)nc(=O)c2c1-c1ccccc1 ZINC000097981643 553996013 /nfs/dbraw/zinc/99/60/13/553996013.db2.gz KJKKSOOZHWOZJS-STZFKDTASA-N -1 3 546.073 8.477 50 5 KKBAHM O=C([N-]c1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000097997090 554039585 /nfs/dbraw/zinc/03/95/85/554039585.db2.gz PTVNJTJEOMNAQI-UHFFFAOYSA-N -1 3 683.260 7.954 50 5 KKBAHM O=C([N-]c1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000098000420 554050895 /nfs/dbraw/zinc/05/08/95/554050895.db2.gz KFGIZFQBAMFUGD-UHFFFAOYSA-N -1 3 672.361 8.211 50 5 KKBAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4Cl)c(Cl)c3n2)cc1OC ZINC000100086417 554209086 /nfs/dbraw/zinc/20/90/86/554209086.db2.gz OWFJXNIQUCWDMZ-UHFFFAOYSA-N -1 3 556.284 5.900 50 5 KKBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101006942 554554548 /nfs/dbraw/zinc/55/45/48/554554548.db2.gz ANFSMRLUCISXRA-HXUWFJFHSA-N -1 3 525.327 5.941 50 5 KKBAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101126939 554645687 /nfs/dbraw/zinc/64/56/87/554645687.db2.gz JUHLQQJCOCXAQM-PFBJBMPXSA-N -1 3 531.565 5.224 50 5 KKBAHM Cc1c(C(=O)Nc2cccc(C)c2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917764 554850925 /nfs/dbraw/zinc/85/09/25/554850925.db2.gz ODNVMHBDZWJTJF-UHFFFAOYSA-N -1 3 563.636 5.437 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000102767787 555055822 /nfs/dbraw/zinc/05/58/22/555055822.db2.gz NOMWOLSPSJFZEY-TZRRMPRUSA-N -1 3 507.930 5.088 50 5 KKBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000102862078 555092024 /nfs/dbraw/zinc/09/20/24/555092024.db2.gz GAKOOUXIFVPRHC-CCDWMCETSA-N -1 3 561.616 5.071 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102871708 555102449 /nfs/dbraw/zinc/10/24/49/555102449.db2.gz NZYFSQLOPMUSLX-PFBJBMPXSA-N -1 3 553.502 5.004 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102871716 555102714 /nfs/dbraw/zinc/10/27/14/555102714.db2.gz NZYFSQLOPMUSLX-VJGNERBWSA-N -1 3 553.502 5.004 50 5 KKBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103547509 555441581 /nfs/dbraw/zinc/44/15/81/555441581.db2.gz ITCOWSBAYTXBHQ-MFUXGYHDSA-N -1 3 547.592 5.512 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000105796614 571408967 /nfs/dbraw/zinc/40/89/67/571408967.db2.gz ICIAMULZLRCHHA-UPRLRBBYSA-N -1 3 555.974 5.878 50 5 KKBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000106016258 571410368 /nfs/dbraw/zinc/41/03/68/571410368.db2.gz FHJDUXIIMCMZBY-OYUWMTPXSA-N -1 3 604.402 6.172 50 5 KKBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000106016293 571410578 /nfs/dbraw/zinc/41/05/78/571410578.db2.gz SUUFERUYZMLAHJ-MPFGFTFXSA-N -1 3 614.010 5.836 50 5 KKBAHM Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000150441888 571498745 /nfs/dbraw/zinc/49/87/45/571498745.db2.gz KHWHKLNXDUCSDL-UHFFFAOYSA-N -1 3 645.660 6.134 50 5 KKBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1cc(C)ccc1C ZINC000150479643 571511721 /nfs/dbraw/zinc/51/17/21/571511721.db2.gz LSXAXJCOUMVJLG-HXUWFJFHSA-N -1 3 659.687 6.524 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000150648083 571525150 /nfs/dbraw/zinc/52/51/50/571525150.db2.gz KCQXYCBKGSSDBT-FRXPANAUSA-N -1 3 629.647 5.202 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227015078 572146984 /nfs/dbraw/zinc/14/69/84/572146984.db2.gz WHUILLXMHGBPRO-GMQQYTKMSA-N -1 3 650.463 5.176 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227073189 572149048 /nfs/dbraw/zinc/14/90/48/572149048.db2.gz ZOBFGCHQGWUOAD-GMQQYTKMSA-N -1 3 606.012 5.067 50 5 KKBAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229862242 572162004 /nfs/dbraw/zinc/16/20/04/572162004.db2.gz HNXUXIGIRRUIAS-ALBQUZEBSA-N -1 3 547.592 5.512 50 5 KKBAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@H](C(C)(C)C)CC2 ZINC000229874649 572164437 /nfs/dbraw/zinc/16/44/37/572164437.db2.gz ZSYZZLHPWWHBHK-QNXXSHKYSA-N -1 3 739.803 6.873 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000229893528 572166198 /nfs/dbraw/zinc/16/61/98/572166198.db2.gz NOMWOLSPSJFZEY-RBZQAINGSA-N -1 3 507.930 5.088 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000229925684 572170280 /nfs/dbraw/zinc/17/02/80/572170280.db2.gz HLZGPFAMGMVLRE-ISJGIBHGSA-N -1 3 560.360 5.668 50 5 KKBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000229969323 572175349 /nfs/dbraw/zinc/17/53/49/572175349.db2.gz GAKOOUXIFVPRHC-ISJGIBHGSA-N -1 3 561.616 5.071 50 5 KKBAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245247800 572221223 /nfs/dbraw/zinc/22/12/23/572221223.db2.gz XPVKFGFAWTVPEG-ISJGIBHGSA-N -1 3 534.355 6.106 50 5 KKBAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000245326444 572232560 /nfs/dbraw/zinc/23/25/60/572232560.db2.gz KCQXYCBKGSSDBT-DYIKCSJPSA-N -1 3 629.647 5.202 50 5 KKBAHM COc1cc(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)ccc1OCCc1ccc2c(c1)CCO2 ZINC000253401112 572285180 /nfs/dbraw/zinc/28/51/80/572285180.db2.gz FJNPZMTYIBSNAU-UHFFFAOYSA-N -1 3 507.546 5.805 50 5 KKBAHM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(Oc5ccc([N+](=O)[O-])cc5C(=O)c5ccccc5)c([O-])cc4[C@H]3CC[C@]12C ZINC000257359036 572322121 /nfs/dbraw/zinc/32/21/21/572322121.db2.gz XZJHCOJNVJPBDL-WFVKFGATSA-N -1 3 555.627 7.112 50 5 KKBAHM