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-]N1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1I ZINC000000670976 551519254 /nfs/dbraw/zinc/51/92/54/551519254.db2.gz PBCXMBSIHPQOMU-IBGZPJMESA-N -1 3 548.724 4.764 50 5 KJBAHM O=C([N-]N1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1I ZINC000000670978 551519266 /nfs/dbraw/zinc/51/92/66/551519266.db2.gz PBCXMBSIHPQOMU-LJQANCHMSA-N -1 3 548.724 4.764 50 5 KJBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000000949455 551588792 /nfs/dbraw/zinc/58/87/92/551588792.db2.gz NOPYBGDZQFYFSS-WXFUMESZSA-N -1 3 547.589 4.681 50 5 KJBAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000001239885 551630656 /nfs/dbraw/zinc/63/06/56/551630656.db2.gz NOPYBGDZQFYFSS-TZRRMPRUSA-N -1 3 547.589 4.681 50 5 KJBAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000001315479 551640359 /nfs/dbraw/zinc/64/03/59/551640359.db2.gz COHIBGBERYDFRK-UPRLRBBYSA-N -1 3 565.538 4.874 50 5 KJBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001316019 551640737 /nfs/dbraw/zinc/64/07/37/551640737.db2.gz ZVDLMIMHKPDZTD-KMDXXIMOSA-N -1 3 568.380 4.816 50 5 KJBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000001316702 551640644 /nfs/dbraw/zinc/64/06/44/551640644.db2.gz TXOPZUAEOPGLDM-SKVJQKLOSA-N -1 3 555.543 4.825 50 5 KJBAHM O=c1/c(=C/c2cc(Br)ccc2[O-])sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000001880697 551723977 /nfs/dbraw/zinc/72/39/77/551723977.db2.gz PGSCWQKKEULUAG-PNZYDNNZSA-N -1 3 560.429 4.695 50 5 KJBAHM O=c1/c(=C/c2cc(Br)ccc2[O-])sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000001880702 551724010 /nfs/dbraw/zinc/72/40/10/551724010.db2.gz PGSCWQKKEULUAG-CBYYHRJHSA-N -1 3 560.429 4.695 50 5 KJBAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001891938 551726700 /nfs/dbraw/zinc/72/67/00/551726700.db2.gz VBJSCQLMYZXSAO-UHFFFAOYSA-N -1 3 504.933 4.753 50 5 KJBAHM Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000002430604 552117663 /nfs/dbraw/zinc/11/76/63/552117663.db2.gz HDQFFEWVVXIMCS-RZNYTTDSSA-N -1 3 542.979 4.571 50 5 KJBAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cn4cc(Br)c([N+](=O)[O-])n4)cc3)cc2)cc1 ZINC000002761858 552182547 /nfs/dbraw/zinc/18/25/47/552182547.db2.gz BDONXACGGIAONO-UHFFFAOYSA-N -1 3 586.424 4.664 50 5 KJBAHM COC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)c(C(=O)OC)c1C ZINC000002811457 552196904 /nfs/dbraw/zinc/19/69/04/552196904.db2.gz WBGKACJHMCHWCM-UHFFFAOYSA-N -1 3 563.470 4.519 50 5 KJBAHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000002925710 552223488 /nfs/dbraw/zinc/22/34/88/552223488.db2.gz DXQAGUGHZKAAQT-UHFFFAOYSA-N -1 3 561.498 4.593 50 5 KJBAHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c2c1C ZINC000002925816 552223926 /nfs/dbraw/zinc/22/39/26/552223926.db2.gz GBACZBDAHMGWCT-UHFFFAOYSA-N -1 3 541.973 4.536 50 5 KJBAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000002932294 552226062 /nfs/dbraw/zinc/22/60/62/552226062.db2.gz BHZZJSRHAMPTHB-UHFFFAOYSA-N -1 3 547.412 4.570 50 5 KJBAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000002932370 552226387 /nfs/dbraw/zinc/22/63/87/552226387.db2.gz CGOVRTHNGBSOJF-UHFFFAOYSA-N -1 3 547.412 4.570 50 5 KJBAHM CCOC(=O)c1c(-c2ccccc2)nc2c(c(=O)[n-]c(=O)n2Cc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 ZINC000003227268 552313622 /nfs/dbraw/zinc/31/36/22/552313622.db2.gz WFIYXIUWXWLVGW-UHFFFAOYSA-N -1 3 522.517 4.552 50 5 KJBAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008687875 553116822 /nfs/dbraw/zinc/11/68/22/553116822.db2.gz NDQSYSWVFRMLQP-UHFFFAOYSA-N -1 3 500.964 4.902 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009210683 553220906 /nfs/dbraw/zinc/22/09/06/553220906.db2.gz ZMDOZOHHCXQZTJ-KALPRAJFSA-N -1 3 513.937 4.810 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000009360204 553248484 /nfs/dbraw/zinc/24/84/84/553248484.db2.gz HXLIQMCRPKSYOP-LSMVNSQTSA-N -1 3 507.546 4.856 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009360208 553248337 /nfs/dbraw/zinc/24/83/37/553248337.db2.gz HXLIQMCRPKSYOP-NSBPXKJOSA-N -1 3 507.546 4.856 50 5 KJBAHM CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009381427 553252640 /nfs/dbraw/zinc/25/26/40/553252640.db2.gz YCKLJRGSKUDJQX-UHFFFAOYSA-N -1 3 512.931 4.746 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009460892 553266861 /nfs/dbraw/zinc/26/68/61/553266861.db2.gz ZMDOZOHHCXQZTJ-PAHOUZJPSA-N -1 3 513.937 4.810 50 5 KJBAHM CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000011757918 553341170 /nfs/dbraw/zinc/34/11/70/553341170.db2.gz VYIMLHQLFVNQNU-UHFFFAOYSA-N -1 3 516.894 4.577 50 5 KJBAHM CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011757919 553341187 /nfs/dbraw/zinc/34/11/87/553341187.db2.gz PLMDGVYDUOIAGK-UHFFFAOYSA-N -1 3 516.894 4.577 50 5 KJBAHM CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000011757968 553341507 /nfs/dbraw/zinc/34/15/07/553341507.db2.gz RYLMBXYXBHRFGX-UHFFFAOYSA-N -1 3 532.456 4.803 50 5 KJBAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2C)cc1 ZINC000012497539 553381887 /nfs/dbraw/zinc/38/18/87/553381887.db2.gz JBMIDMPENCFDRN-UHFFFAOYSA-N -1 3 510.572 4.565 50 5 KJBAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000012560835 553394309 /nfs/dbraw/zinc/39/43/09/553394309.db2.gz QFOYVYAWNAJTRD-UHFFFAOYSA-N -1 3 504.952 4.885 50 5 KJBAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012563146 553395521 /nfs/dbraw/zinc/39/55/21/553395521.db2.gz KMYOLMSGZRDIFI-UHFFFAOYSA-N -1 3 500.964 4.902 50 5 KJBAHM Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(=O)c3c([O-])c4cccc(C)c4oc-3c2)cc1 ZINC000013576436 553475114 /nfs/dbraw/zinc/47/51/14/553475114.db2.gz HZTWTGAHSGEISW-UHFFFAOYSA-N -1 3 509.580 4.713 50 5 KJBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000013757507 553488268 /nfs/dbraw/zinc/48/82/68/553488268.db2.gz KARGIIANLDRNMK-DNVJHFABSA-N -1 3 500.898 4.848 50 5 KJBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000013757508 553488302 /nfs/dbraw/zinc/48/83/02/553488302.db2.gz KARGIIANLDRNMK-XPWALMASSA-N -1 3 500.898 4.848 50 5 KJBAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013768540 553489227 /nfs/dbraw/zinc/48/92/27/553489227.db2.gz RXTZBZXMDAUWOR-NXCFDTQHSA-N -1 3 517.538 4.833 50 5 KJBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(O)cc1 ZINC000013787181 553490783 /nfs/dbraw/zinc/49/07/83/553490783.db2.gz HXYCEHUCXGWJSZ-QHAWAJNXSA-N -1 3 500.294 4.658 50 5 KJBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000013787911 553491044 /nfs/dbraw/zinc/49/10/44/553491044.db2.gz YCWQKBYHWRTJHQ-NJDAHSKKSA-N -1 3 512.291 4.548 50 5 KJBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000013787912 553491038 /nfs/dbraw/zinc/49/10/38/553491038.db2.gz YCWQKBYHWRTJHQ-QHAWAJNXSA-N -1 3 512.291 4.548 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000015999203 553549592 /nfs/dbraw/zinc/54/95/92/553549592.db2.gz ZMDOZOHHCXQZTJ-XVOBZGQLSA-N -1 3 513.937 4.810 50 5 KJBAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000018155364 553606539 /nfs/dbraw/zinc/60/65/39/553606539.db2.gz HXEWDDRSXPSICH-FDFHNCONSA-N -1 3 514.321 4.961 50 5 KJBAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018167050 553606825 /nfs/dbraw/zinc/60/68/25/553606825.db2.gz JKALMILGQCTTEK-CYXNTTPDSA-N -1 3 517.538 4.833 50 5 KJBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(O)cc1 ZINC000018209538 553610431 /nfs/dbraw/zinc/61/04/31/553610431.db2.gz HXYCEHUCXGWJSZ-NJDAHSKKSA-N -1 3 500.294 4.658 50 5 KJBAHM Cc1ccccc1CSC1=N[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000033357603 553949370 /nfs/dbraw/zinc/94/93/70/553949370.db2.gz AAXDXXOKSULCPS-FGZHOGPDSA-N -1 3 574.575 4.679 50 5 KJBAHM Cc1ccccc1CSC1=N[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000033357603 553949366 /nfs/dbraw/zinc/94/93/66/553949366.db2.gz AAXDXXOKSULCPS-FGZHOGPDSA-N -1 3 574.575 4.679 50 5 KJBAHM Cc1ccccc1CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000033357604 553949270 /nfs/dbraw/zinc/94/92/70/553949270.db2.gz AAXDXXOKSULCPS-VXKWHMMOSA-N -1 3 574.575 4.679 50 5 KJBAHM Cc1ccccc1CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000033357604 553949268 /nfs/dbraw/zinc/94/92/68/553949268.db2.gz AAXDXXOKSULCPS-VXKWHMMOSA-N -1 3 574.575 4.679 50 5 KJBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000034764033 554002627 /nfs/dbraw/zinc/00/26/27/554002627.db2.gz GCGDGWGCFNHJSR-DAXSKMNVSA-N -1 3 513.019 4.884 50 5 KJBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000034764037 554002661 /nfs/dbraw/zinc/00/26/61/554002661.db2.gz GCGDGWGCFNHJSR-QPJJXVBHSA-N -1 3 513.019 4.884 50 5 KJBAHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc(C)c3[O-])nc2c1 ZINC000059608607 554411655 /nfs/dbraw/zinc/41/16/55/554411655.db2.gz VHLKCILGEGNNHY-UHFFFAOYSA-N -1 3 561.620 4.943 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1C(C)(C)C ZINC000096203677 553728336 /nfs/dbraw/zinc/72/83/36/553728336.db2.gz ZGXXNYLQYMSABO-UHFFFAOYSA-N -1 3 529.619 4.896 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2cccc(C)c2)nn1C(C)C ZINC000096278848 553735409 /nfs/dbraw/zinc/73/54/09/553735409.db2.gz GXZGQGUCPHGXMY-UHFFFAOYSA-N -1 3 515.592 4.722 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000097954105 553821367 /nfs/dbraw/zinc/82/13/67/553821367.db2.gz XDJVBOVYZPVUFC-ZRBLBEILSA-N -1 3 544.347 4.970 50 5 KJBAHM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097954183 553821908 /nfs/dbraw/zinc/82/19/08/553821908.db2.gz JXJTWXJZSZYYJA-ZRBLBEILSA-N -1 3 522.355 4.971 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000097954682 553824778 /nfs/dbraw/zinc/82/47/78/553824778.db2.gz CULCPBQILUMGDD-VJGNERBWSA-N -1 3 535.512 4.865 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000097954747 553825415 /nfs/dbraw/zinc/82/54/15/553825415.db2.gz KGBLZUFTTAWBDC-VJGNERBWSA-N -1 3 535.512 4.865 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000097954846 553826009 /nfs/dbraw/zinc/82/60/09/553826009.db2.gz SMCKRAPUDIDSSG-VJGNERBWSA-N -1 3 525.517 4.816 50 5 KJBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000097954854 553825976 /nfs/dbraw/zinc/82/59/76/553825976.db2.gz KTGJPNGCODAZTE-ZRBLBEILSA-N -1 3 538.354 4.725 50 5 KJBAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000097954863 553825850 /nfs/dbraw/zinc/82/58/50/553825850.db2.gz ZHOHUBOBSUQXHY-BDTNDASRSA-N -1 3 542.317 4.556 50 5 KJBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000097954924 553826748 /nfs/dbraw/zinc/82/67/48/553826748.db2.gz PQOCXMGKHRLBJX-BDTNDASRSA-N -1 3 542.317 4.556 50 5 KJBAHM CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(OC)c3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000100241994 554260775 /nfs/dbraw/zinc/26/07/75/554260775.db2.gz PEKBKUADYFBSJI-RTOMEVGKSA-N -1 3 589.420 4.972 50 5 KJBAHM CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(OC)c3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000100241997 554260739 /nfs/dbraw/zinc/26/07/39/554260739.db2.gz PEKBKUADYFBSJI-NQDYMZAQSA-N -1 3 589.420 4.972 50 5 KJBAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1[O-] ZINC000100338816 554323289 /nfs/dbraw/zinc/32/32/89/554323289.db2.gz RVWOJHMDAINIPL-CXUHLZMHSA-N -1 3 526.308 4.540 50 5 KJBAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1[O-] ZINC000100358460 554339192 /nfs/dbraw/zinc/33/91/92/554339192.db2.gz LREWCUMEYUKFQZ-CXUHLZMHSA-N -1 3 526.308 4.540 50 5 KJBAHM COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C=C([O-])C(=O)Nc1c(C)cc(Br)cc1C ZINC000100721419 554455443 /nfs/dbraw/zinc/45/54/43/554455443.db2.gz HSNQYPJHEHZREI-UHFFFAOYSA-N -1 3 592.406 4.929 50 5 KJBAHM Cc1ccccc1NC(=O)c1nc2ccccc2nc1C=C([O-])C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100742042 554463158 /nfs/dbraw/zinc/46/31/58/554463158.db2.gz MONMGNLKDWLQEE-UHFFFAOYSA-N -1 3 537.454 4.868 50 5 KJBAHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000100958312 554541434 /nfs/dbraw/zinc/54/14/34/554541434.db2.gz PGSCWQKKEULUAG-AQIZGWBQSA-N -1 3 560.429 4.695 50 5 KJBAHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000100958316 554541372 /nfs/dbraw/zinc/54/13/72/554541372.db2.gz PGSCWQKKEULUAG-ZDGAQAAHSA-N -1 3 560.429 4.695 50 5 KJBAHM Cc1c(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cccc1[N+](=O)[O-] ZINC000101036565 554565551 /nfs/dbraw/zinc/56/55/51/554565551.db2.gz LVKLRKXATSZCJT-UHFFFAOYSA-N -1 3 530.565 4.533 50 5 KJBAHM Cc1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1[N+](=O)[O-] ZINC000101036568 554565787 /nfs/dbraw/zinc/56/57/87/554565787.db2.gz NUCHUXVZFBDPSP-UHFFFAOYSA-N -1 3 530.565 4.533 50 5 KJBAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)s1)c1cccs1 ZINC000101036569 554565792 /nfs/dbraw/zinc/56/57/92/554565792.db2.gz MABBVQNZPAHLDE-UHFFFAOYSA-N -1 3 550.983 4.878 50 5 KJBAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)s1)c1cccs1 ZINC000101036570 554565782 /nfs/dbraw/zinc/56/57/82/554565782.db2.gz LXACUAKLVHBUDC-UHFFFAOYSA-N -1 3 550.983 4.878 50 5 KJBAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)s1)c1cccs1 ZINC000101036573 554565748 /nfs/dbraw/zinc/56/57/48/554565748.db2.gz VGJLPNYMGNHZMP-UHFFFAOYSA-N -1 3 550.983 4.878 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101097004 554584683 /nfs/dbraw/zinc/58/46/83/554584683.db2.gz XDJVBOVYZPVUFC-ZLNRFVROSA-N -1 3 544.347 4.970 50 5 KJBAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101101604 554638821 /nfs/dbraw/zinc/63/88/21/554638821.db2.gz JXJTWXJZSZYYJA-ZLNRFVROSA-N -1 3 522.355 4.971 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101107295 554640241 /nfs/dbraw/zinc/64/02/41/554640241.db2.gz HXLIQMCRPKSYOP-UUROJUAVSA-N -1 3 507.546 4.856 50 5 KJBAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101108137 554640469 /nfs/dbraw/zinc/64/04/69/554640469.db2.gz RXTZBZXMDAUWOR-CYXNTTPDSA-N -1 3 517.538 4.833 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152744 554657783 /nfs/dbraw/zinc/65/77/83/554657783.db2.gz CULCPBQILUMGDD-PFBJBMPXSA-N -1 3 535.512 4.865 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000101161848 554659807 /nfs/dbraw/zinc/65/98/07/554659807.db2.gz KGBLZUFTTAWBDC-PFBJBMPXSA-N -1 3 535.512 4.865 50 5 KJBAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101173428 554662213 /nfs/dbraw/zinc/66/22/13/554662213.db2.gz JKALMILGQCTTEK-NXCFDTQHSA-N -1 3 517.538 4.833 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101174729 554662447 /nfs/dbraw/zinc/66/24/47/554662447.db2.gz SMCKRAPUDIDSSG-PFBJBMPXSA-N -1 3 525.517 4.816 50 5 KJBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101176772 554664544 /nfs/dbraw/zinc/66/45/44/554664544.db2.gz KTGJPNGCODAZTE-ZLNRFVROSA-N -1 3 538.354 4.725 50 5 KJBAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000101181463 554667120 /nfs/dbraw/zinc/66/71/20/554667120.db2.gz ZHOHUBOBSUQXHY-VSKRKVRLSA-N -1 3 542.317 4.556 50 5 KJBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101200143 554672561 /nfs/dbraw/zinc/67/25/61/554672561.db2.gz PQOCXMGKHRLBJX-VSKRKVRLSA-N -1 3 542.317 4.556 50 5 KJBAHM O=C([N-][C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000101227145 554688972 /nfs/dbraw/zinc/68/89/72/554688972.db2.gz YJTFOFHJTGMRNH-HXUWFJFHSA-N -1 3 540.804 4.786 50 5 KJBAHM O=C([N-][C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000101227150 554688980 /nfs/dbraw/zinc/68/89/80/554688980.db2.gz YJTFOFHJTGMRNH-FQEVSTJZSA-N -1 3 540.804 4.786 50 5 KJBAHM Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000101255943 554697068 /nfs/dbraw/zinc/69/70/68/554697068.db2.gz HDQFFEWVVXIMCS-JMBFNUQRSA-N -1 3 542.979 4.571 50 5 KJBAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000101672373 554825987 /nfs/dbraw/zinc/82/59/87/554825987.db2.gz YTGUMACEWQRQPH-AKFKNWHVSA-N -1 3 568.380 4.508 50 5 KJBAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000101672381 554826016 /nfs/dbraw/zinc/82/60/16/554826016.db2.gz YTGUMACEWQRQPH-ZDXQCDESSA-N -1 3 568.380 4.508 50 5 KJBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101672786 554826286 /nfs/dbraw/zinc/82/62/86/554826286.db2.gz TXOPZUAEOPGLDM-OARDWFSCSA-N -1 3 555.543 4.825 50 5 KJBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C(C)(C)C ZINC000101748603 554834588 /nfs/dbraw/zinc/83/45/88/554834588.db2.gz YQDZXRQXKNQAFZ-UHFFFAOYSA-N -1 3 613.615 4.521 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101859542 554843989 /nfs/dbraw/zinc/84/39/89/554843989.db2.gz CWVSMAFFVAEIRF-UHFFFAOYSA-N -1 3 543.646 4.571 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000101859569 554844025 /nfs/dbraw/zinc/84/40/25/554844025.db2.gz JHNPZPSAGUGSBU-UHFFFAOYSA-N -1 3 557.673 4.961 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000101859575 554843979 /nfs/dbraw/zinc/84/39/79/554843979.db2.gz UWLISVROSNTPMC-UHFFFAOYSA-N -1 3 557.673 4.961 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cc(C)ccc1C ZINC000101859580 554844040 /nfs/dbraw/zinc/84/40/40/554844040.db2.gz ZMVOLSDXVVLFPG-LJQANCHMSA-N -1 3 557.673 4.961 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cc(C)ccc1C ZINC000101859585 554843981 /nfs/dbraw/zinc/84/39/81/554843981.db2.gz ZMVOLSDXVVLFPG-IBGZPJMESA-N -1 3 557.673 4.961 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(C)c1C ZINC000101859600 554844352 /nfs/dbraw/zinc/84/43/52/554844352.db2.gz YWVVGDOWSSUWEX-GOSISDBHSA-N -1 3 557.673 4.961 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(C)c1C ZINC000101859604 554844363 /nfs/dbraw/zinc/84/43/63/554844363.db2.gz YWVVGDOWSSUWEX-SFHVURJKSA-N -1 3 557.673 4.961 50 5 KJBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861529 554844486 /nfs/dbraw/zinc/84/44/86/554844486.db2.gz FMURUHHXCFBHNY-UHFFFAOYSA-N -1 3 555.657 4.668 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000101861556 554844458 /nfs/dbraw/zinc/84/44/58/554844458.db2.gz RZVADSYAIVGPOT-GOSISDBHSA-N -1 3 543.646 4.652 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000101861561 554844534 /nfs/dbraw/zinc/84/45/34/554844534.db2.gz RZVADSYAIVGPOT-SFHVURJKSA-N -1 3 543.646 4.652 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861565 554844453 /nfs/dbraw/zinc/84/44/53/554844453.db2.gz RXTJZHJBUNEJLP-UHFFFAOYSA-N -1 3 543.646 4.510 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000101861580 554844462 /nfs/dbraw/zinc/84/44/62/554844462.db2.gz NRUKNTOVQYGPAA-GOSISDBHSA-N -1 3 557.673 4.961 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000101861582 554844548 /nfs/dbraw/zinc/84/45/48/554844548.db2.gz NRUKNTOVQYGPAA-SFHVURJKSA-N -1 3 557.673 4.961 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000101861591 554844579 /nfs/dbraw/zinc/84/45/79/554844579.db2.gz WPEXXYFHSRWCSI-UHFFFAOYSA-N -1 3 557.673 4.818 50 5 KJBAHM Cc1c(C(=O)NC(C)C)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000101914373 554850115 /nfs/dbraw/zinc/85/01/15/554850115.db2.gz PIHSFJFGMOBBBG-UHFFFAOYSA-N -1 3 543.646 4.713 50 5 KJBAHM Cc1c(C(=O)NC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000101914379 554850154 /nfs/dbraw/zinc/85/01/54/554850154.db2.gz VVMPFIADRJCYLA-UHFFFAOYSA-N -1 3 543.646 4.713 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(C)c1C ZINC000101914398 554850142 /nfs/dbraw/zinc/85/01/42/554850142.db2.gz GLWHGIRZBAPPGX-QGZVFWFLSA-N -1 3 543.646 4.713 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(C)c1C ZINC000101914402 554850146 /nfs/dbraw/zinc/85/01/46/554850146.db2.gz GLWHGIRZBAPPGX-KRWDZBQOSA-N -1 3 543.646 4.713 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000101917696 554850966 /nfs/dbraw/zinc/85/09/66/554850966.db2.gz BRUMWQBFQDJGJE-GOSISDBHSA-N -1 3 543.646 4.713 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000101917698 554850921 /nfs/dbraw/zinc/85/09/21/554850921.db2.gz BRUMWQBFQDJGJE-SFHVURJKSA-N -1 3 543.646 4.713 50 5 KJBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917710 554850953 /nfs/dbraw/zinc/85/09/53/554850953.db2.gz AWDPCWVZEKPDAQ-UHFFFAOYSA-N -1 3 578.651 4.510 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917713 554850943 /nfs/dbraw/zinc/85/09/43/554850943.db2.gz HUINBKHGESRZPO-UHFFFAOYSA-N -1 3 567.624 4.708 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000101917802 554851125 /nfs/dbraw/zinc/85/11/25/554851125.db2.gz XRGWYRAMIZBJGW-QGZVFWFLSA-N -1 3 543.646 4.713 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000101917805 554851165 /nfs/dbraw/zinc/85/11/65/554851165.db2.gz XRGWYRAMIZBJGW-KRWDZBQOSA-N -1 3 543.646 4.713 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000101917824 554851144 /nfs/dbraw/zinc/85/11/44/554851144.db2.gz IAZIQZWBUGAXIZ-UHFFFAOYSA-N -1 3 567.624 4.708 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033349 554868312 /nfs/dbraw/zinc/86/83/12/554868312.db2.gz HWRDZXINCXVYHJ-KRWDZBQOSA-N -1 3 543.646 4.715 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1cccc(C)c1C ZINC000102033354 554868307 /nfs/dbraw/zinc/86/83/07/554868307.db2.gz HWRDZXINCXVYHJ-QGZVFWFLSA-N -1 3 543.646 4.715 50 5 KJBAHM CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000102034068 554868617 /nfs/dbraw/zinc/86/86/17/554868617.db2.gz SYSGBAUGLHNRMX-SFHVURJKSA-N -1 3 543.646 4.715 50 5 KJBAHM CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000102034072 554868545 /nfs/dbraw/zinc/86/85/45/554868545.db2.gz SYSGBAUGLHNRMX-GOSISDBHSA-N -1 3 543.646 4.715 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000102034243 554868818 /nfs/dbraw/zinc/86/88/18/554868818.db2.gz WMDLPSXTLGDPJU-KRWDZBQOSA-N -1 3 543.646 4.715 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000102034248 554868797 /nfs/dbraw/zinc/86/87/97/554868797.db2.gz WMDLPSXTLGDPJU-QGZVFWFLSA-N -1 3 543.646 4.715 50 5 KJBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102735982 555026183 /nfs/dbraw/zinc/02/61/83/555026183.db2.gz KARGIIANLDRNMK-RJGXRXQPSA-N -1 3 500.898 4.848 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102739122 555027713 /nfs/dbraw/zinc/02/77/13/555027713.db2.gz XDJVBOVYZPVUFC-DNVJHFABSA-N -1 3 544.347 4.970 50 5 KJBAHM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102740851 555029742 /nfs/dbraw/zinc/02/97/42/555029742.db2.gz JXJTWXJZSZYYJA-DNVJHFABSA-N -1 3 522.355 4.971 50 5 KJBAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102742450 555031682 /nfs/dbraw/zinc/03/16/82/555031682.db2.gz RXTZBZXMDAUWOR-TWJOJJKGSA-N -1 3 517.538 4.833 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102753993 555046101 /nfs/dbraw/zinc/04/61/01/555046101.db2.gz CULCPBQILUMGDD-OYUWMTPXSA-N -1 3 535.512 4.865 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102753994 555046049 /nfs/dbraw/zinc/04/60/49/555046049.db2.gz CULCPBQILUMGDD-ZONZVBGPSA-N -1 3 535.512 4.865 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000102756016 555048823 /nfs/dbraw/zinc/04/88/23/555048823.db2.gz KGBLZUFTTAWBDC-ZONZVBGPSA-N -1 3 535.512 4.865 50 5 KJBAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102758093 555050211 /nfs/dbraw/zinc/05/02/11/555050211.db2.gz JKALMILGQCTTEK-TWJOJJKGSA-N -1 3 517.538 4.833 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102758315 193917370 /nfs/dbraw/zinc/91/73/70/193917370.db2.gz SMCKRAPUDIDSSG-ZONZVBGPSA-N -1 3 525.517 4.816 50 5 KJBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102758671 555050632 /nfs/dbraw/zinc/05/06/32/555050632.db2.gz KTGJPNGCODAZTE-DNVJHFABSA-N -1 3 538.354 4.725 50 5 KJBAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000102759433 555051221 /nfs/dbraw/zinc/05/12/21/555051221.db2.gz ZHOHUBOBSUQXHY-YPAWHYETSA-N -1 3 542.317 4.556 50 5 KJBAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102760053 555051717 /nfs/dbraw/zinc/05/17/17/555051717.db2.gz HXEWDDRSXPSICH-BHIFYINESA-N -1 3 514.321 4.961 50 5 KJBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000102761239 555052426 /nfs/dbraw/zinc/05/24/26/555052426.db2.gz PQOCXMGKHRLBJX-YPAWHYETSA-N -1 3 542.317 4.556 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cc(C)ccc1C ZINC000102835948 555079897 /nfs/dbraw/zinc/07/98/97/555079897.db2.gz SSXNSJNJPIQYNP-LJQANCHMSA-N -1 3 555.657 4.811 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cc(C)ccc1C ZINC000102835951 555079947 /nfs/dbraw/zinc/07/99/47/555079947.db2.gz SSXNSJNJPIQYNP-IBGZPJMESA-N -1 3 555.657 4.811 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 ZINC000102835966 555080028 /nfs/dbraw/zinc/08/00/28/555080028.db2.gz WCIMZTNCFWKOCG-GOSISDBHSA-N -1 3 541.630 4.502 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 ZINC000102835968 555079915 /nfs/dbraw/zinc/07/99/15/555079915.db2.gz WCIMZTNCFWKOCG-SFHVURJKSA-N -1 3 541.630 4.502 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(C)cc1 ZINC000102835976 555079904 /nfs/dbraw/zinc/07/99/04/555079904.db2.gz DPHAEEZGJHUQGL-LJQANCHMSA-N -1 3 578.651 4.591 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1ccc(C)cc1 ZINC000102835978 555079983 /nfs/dbraw/zinc/07/99/83/555079983.db2.gz DPHAEEZGJHUQGL-IBGZPJMESA-N -1 3 578.651 4.591 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(C)c1C ZINC000102835979 555080267 /nfs/dbraw/zinc/08/02/67/555080267.db2.gz FJXCQIDOZTUDQU-GOSISDBHSA-N -1 3 555.657 4.811 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(C)c1C ZINC000102835982 555080276 /nfs/dbraw/zinc/08/02/76/555080276.db2.gz FJXCQIDOZTUDQU-SFHVURJKSA-N -1 3 555.657 4.811 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(C)c1C ZINC000102835990 555080259 /nfs/dbraw/zinc/08/02/59/555080259.db2.gz NESQDMAGGGJHKC-LJQANCHMSA-N -1 3 592.678 4.900 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(C)c1C ZINC000102835992 555080236 /nfs/dbraw/zinc/08/02/36/555080236.db2.gz NESQDMAGGGJHKC-IBGZPJMESA-N -1 3 592.678 4.900 50 5 KJBAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000102862125 555092181 /nfs/dbraw/zinc/09/21/81/555092181.db2.gz NOPYBGDZQFYFSS-RBZQAINGSA-N -1 3 547.589 4.681 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102862258 555092202 /nfs/dbraw/zinc/09/22/02/555092202.db2.gz NILNZZSEIZWHAH-FDFHNCONSA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102862262 555092301 /nfs/dbraw/zinc/09/23/01/555092301.db2.gz NILNZZSEIZWHAH-BHIFYINESA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000102863234 555092957 /nfs/dbraw/zinc/09/29/57/555092957.db2.gz ULOLGBZDOHNAAX-FDFHNCONSA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000102863239 555092963 /nfs/dbraw/zinc/09/29/63/555092963.db2.gz ULOLGBZDOHNAAX-BHIFYINESA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000102863285 555093247 /nfs/dbraw/zinc/09/32/47/555093247.db2.gz YOOHXOKNVQNNGU-KMDXXIMOSA-N -1 3 547.589 4.763 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000102863289 555093221 /nfs/dbraw/zinc/09/32/21/555093221.db2.gz YOOHXOKNVQNNGU-TZRRMPRUSA-N -1 3 547.589 4.763 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889682 555124299 /nfs/dbraw/zinc/12/42/99/555124299.db2.gz HUFMLFFVGLRPHU-PFBJBMPXSA-N -1 3 580.509 4.773 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889687 555124227 /nfs/dbraw/zinc/12/42/27/555124227.db2.gz HUFMLFFVGLRPHU-VJGNERBWSA-N -1 3 580.509 4.773 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893272 555130580 /nfs/dbraw/zinc/13/05/80/555130580.db2.gz NACQJOHCJVBLGN-FCEKVYKBSA-N -1 3 565.538 4.874 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893275 555130605 /nfs/dbraw/zinc/13/06/05/555130605.db2.gz NACQJOHCJVBLGN-IARZGTGTSA-N -1 3 565.538 4.874 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895217 555133821 /nfs/dbraw/zinc/13/38/21/555133821.db2.gz JJWRMUDJDIYGKZ-FCEKVYKBSA-N -1 3 565.538 4.874 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895221 555133787 /nfs/dbraw/zinc/13/37/87/555133787.db2.gz JJWRMUDJDIYGKZ-IARZGTGTSA-N -1 3 565.538 4.874 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103048023 555229519 /nfs/dbraw/zinc/22/95/19/555229519.db2.gz QMJSFODHXHOTHY-UHFFFAOYSA-N -1 3 547.609 4.579 50 5 KJBAHM Cc1c(C(=O)NC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103048287 555229811 /nfs/dbraw/zinc/22/98/11/555229811.db2.gz BVHPNMINNQGWCH-UHFFFAOYSA-N -1 3 550.037 4.607 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103048303 555229765 /nfs/dbraw/zinc/22/97/65/555229765.db2.gz TTYODDPUVHORDI-UHFFFAOYSA-N -1 3 550.037 4.609 50 5 KJBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103048344 555229847 /nfs/dbraw/zinc/22/98/47/555229847.db2.gz NDICQCIWSHYURB-UHFFFAOYSA-N -1 3 562.048 4.705 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1C(C)C ZINC000103065872 555246288 /nfs/dbraw/zinc/24/62/88/555246288.db2.gz NIEBZYFSGIFLTB-OAHLLOKOSA-N -1 3 533.582 4.941 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1C(C)C ZINC000103065874 555246261 /nfs/dbraw/zinc/24/62/61/555246261.db2.gz NIEBZYFSGIFLTB-HNNXBMFYSA-N -1 3 533.582 4.941 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cc(C)ccc1C ZINC000103089749 555268682 /nfs/dbraw/zinc/26/86/82/555268682.db2.gz HXSFNANESKVKIB-UHFFFAOYSA-N -1 3 543.646 4.572 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cc(C)ccc1C ZINC000103089807 555268960 /nfs/dbraw/zinc/26/89/60/555268960.db2.gz RZGKNBGTVXHWLV-UHFFFAOYSA-N -1 3 578.651 4.511 50 5 KJBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103109798 555284786 /nfs/dbraw/zinc/28/47/86/555284786.db2.gz QTTQRMVMSLMXDW-UHFFFAOYSA-N -1 3 599.069 4.794 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103152030 555317694 /nfs/dbraw/zinc/31/76/94/555317694.db2.gz KRCMIMMAHDXTPB-UHFFFAOYSA-N -1 3 564.064 4.855 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000103199678 555336335 /nfs/dbraw/zinc/33/63/35/555336335.db2.gz AWNRKBCDBZANNK-UHFFFAOYSA-N -1 3 543.646 4.667 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(Cl)c1 ZINC000103246428 555343569 /nfs/dbraw/zinc/34/35/69/555343569.db2.gz LKHJLIDLEXHGJW-QGZVFWFLSA-N -1 3 599.069 4.936 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(Cl)c1 ZINC000103246431 555343550 /nfs/dbraw/zinc/34/35/50/555343550.db2.gz LKHJLIDLEXHGJW-KRWDZBQOSA-N -1 3 599.069 4.936 50 5 KJBAHM CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103260528 555346676 /nfs/dbraw/zinc/34/66/76/555346676.db2.gz ADPNWWBIVSMIBQ-UHFFFAOYSA-N -1 3 543.646 4.715 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103260534 555346733 /nfs/dbraw/zinc/34/67/33/555346733.db2.gz HTCWMUPJBCLIJS-UHFFFAOYSA-N -1 3 543.646 4.715 50 5 KJBAHM CCCNC(=O)c1nn(-c2cc(C)ccc2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103260541 555346723 /nfs/dbraw/zinc/34/67/23/555346723.db2.gz NOWAPRMVWOILJV-UHFFFAOYSA-N -1 3 543.646 4.572 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103260545 555346699 /nfs/dbraw/zinc/34/66/99/555346699.db2.gz UYLKAQASXSIMQS-UHFFFAOYSA-N -1 3 543.646 4.572 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cc(C)ccc1C ZINC000103265528 555346977 /nfs/dbraw/zinc/34/69/77/555346977.db2.gz WHJVWYKDMMWSFN-UHFFFAOYSA-N -1 3 567.624 4.709 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(C)c1C ZINC000103265565 555347379 /nfs/dbraw/zinc/34/73/79/555347379.db2.gz UJSSGNBDCBTSHI-UHFFFAOYSA-N -1 3 543.646 4.572 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1-c1cccc(C)c1C ZINC000103265576 555347434 /nfs/dbraw/zinc/34/74/34/555347434.db2.gz LLFGEFGVSAWVOK-UHFFFAOYSA-N -1 3 578.651 4.511 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(C)c1C ZINC000103265579 555347417 /nfs/dbraw/zinc/34/74/17/555347417.db2.gz GVJVKYJFYVTNGF-UHFFFAOYSA-N -1 3 567.624 4.709 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000103394055 555378413 /nfs/dbraw/zinc/37/84/13/555378413.db2.gz XLYJOULZFOCOGG-UHFFFAOYSA-N -1 3 550.037 4.607 50 5 KJBAHM Cc1c(C(=O)N2CCCC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103394316 555379012 /nfs/dbraw/zinc/37/90/12/555379012.db2.gz QYDQMZXGYFRJIS-UHFFFAOYSA-N -1 3 562.048 4.847 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103395952 555381184 /nfs/dbraw/zinc/38/11/84/555381184.db2.gz DYXLMJAWABIWGG-UHFFFAOYSA-N -1 3 571.587 4.620 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103395960 555381100 /nfs/dbraw/zinc/38/11/00/555381100.db2.gz CPHULPBJBAXANP-UHFFFAOYSA-N -1 3 567.624 4.647 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103396072 555381387 /nfs/dbraw/zinc/38/13/87/555381387.db2.gz BMOBZSBXNNBWSU-OAHLLOKOSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103396076 555381364 /nfs/dbraw/zinc/38/13/64/555381364.db2.gz BMOBZSBXNNBWSU-HNNXBMFYSA-N -1 3 547.609 4.625 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103396080 555381346 /nfs/dbraw/zinc/38/13/46/555381346.db2.gz OGBAYGDULDXBQF-UHFFFAOYSA-N -1 3 547.609 4.579 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000103396108 555381544 /nfs/dbraw/zinc/38/15/44/555381544.db2.gz DNYXFLOMMTXMTQ-CQSZACIVSA-N -1 3 548.021 4.504 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C ZINC000103396111 555381415 /nfs/dbraw/zinc/38/14/15/555381415.db2.gz DNYXFLOMMTXMTQ-AWEZNQCLSA-N -1 3 548.021 4.504 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103396174 555381796 /nfs/dbraw/zinc/38/17/96/555381796.db2.gz NXTOHPICSTVIQT-INIZCTEOSA-N -1 3 547.609 4.579 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000103396177 555381820 /nfs/dbraw/zinc/38/18/20/555381820.db2.gz NXTOHPICSTVIQT-MRXNPFEDSA-N -1 3 547.609 4.579 50 5 KJBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103397814 555383683 /nfs/dbraw/zinc/38/36/83/555383683.db2.gz RJKHQRHLAAAGBC-UHFFFAOYSA-N -1 3 592.678 4.900 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N(C)CCC)nn1-c1cccc(C)c1C ZINC000103397862 555383893 /nfs/dbraw/zinc/38/38/93/555383893.db2.gz PNIBSQIMMCMCTA-UHFFFAOYSA-N -1 3 543.646 4.668 50 5 KJBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000103397904 555383910 /nfs/dbraw/zinc/38/39/10/555383910.db2.gz NQEDVHOKDYKDQD-UHFFFAOYSA-N -1 3 585.042 4.546 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000103398201 555384600 /nfs/dbraw/zinc/38/46/00/555384600.db2.gz KYUGFXWSVMSIMN-UHFFFAOYSA-N -1 3 550.037 4.607 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000103398213 555384692 /nfs/dbraw/zinc/38/46/92/555384692.db2.gz YOHZPVIVFNRUKE-UHFFFAOYSA-N -1 3 574.015 4.744 50 5 KJBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103398219 555384640 /nfs/dbraw/zinc/38/46/40/555384640.db2.gz KWZNWZFXZMSDCO-UHFFFAOYSA-N -1 3 533.582 4.941 50 5 KJBAHM Cc1c(C(=O)NC2CC2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103401767 555387224 /nfs/dbraw/zinc/38/72/24/555387224.db2.gz CJANTGTWVUTUTO-UHFFFAOYSA-N -1 3 548.021 4.504 50 5 KJBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103401793 555387547 /nfs/dbraw/zinc/38/75/47/555387547.db2.gz PMDQLBWHWHHOKH-UHFFFAOYSA-N -1 3 599.069 4.936 50 5 KJBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103401823 555387511 /nfs/dbraw/zinc/38/75/11/555387511.db2.gz LZPIOGMZZPOWGA-FQEVSTJZSA-N -1 3 592.074 4.520 50 5 KJBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103401827 555387551 /nfs/dbraw/zinc/38/75/51/555387551.db2.gz LZPIOGMZZPOWGA-HXUWFJFHSA-N -1 3 592.074 4.520 50 5 KJBAHM COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)cc1 ZINC000103402541 555388432 /nfs/dbraw/zinc/38/84/32/555388432.db2.gz JKOSSCWESVQBDD-UHFFFAOYSA-N -1 3 577.619 4.891 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccc(F)cc1 ZINC000103402624 555388620 /nfs/dbraw/zinc/38/86/20/555388620.db2.gz LVKVLVCNPZIRQB-MRXNPFEDSA-N -1 3 571.587 4.620 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1ccc(F)cc1 ZINC000103402628 555388681 /nfs/dbraw/zinc/38/86/81/555388681.db2.gz LVKVLVCNPZIRQB-INIZCTEOSA-N -1 3 571.587 4.620 50 5 KJBAHM COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)cc1 ZINC000103402699 555388628 /nfs/dbraw/zinc/38/86/28/555388628.db2.gz WHPXXDIPROWELB-UHFFFAOYSA-N -1 3 581.582 4.722 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103402713 555389119 /nfs/dbraw/zinc/38/91/19/555389119.db2.gz IOQIMDJYODEIIV-CVEARBPZSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1ccc(F)cc1 ZINC000103402715 555389115 /nfs/dbraw/zinc/38/91/15/555389115.db2.gz IOQIMDJYODEIIV-HOTGVXAUSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1ccc(F)cc1 ZINC000103402718 555389075 /nfs/dbraw/zinc/38/90/75/555389075.db2.gz IOQIMDJYODEIIV-HZPDHXFCSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1ccc(F)cc1 ZINC000103402720 555389086 /nfs/dbraw/zinc/38/90/86/555389086.db2.gz IOQIMDJYODEIIV-JKSUJKDBSA-N -1 3 547.609 4.625 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103403798 555389927 /nfs/dbraw/zinc/38/99/27/555389927.db2.gz FIKYTLZZQYANGW-UHFFFAOYSA-N -1 3 588.042 4.992 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(F)c1 ZINC000103403811 555389962 /nfs/dbraw/zinc/38/99/62/555389962.db2.gz VQELVZZAYSLGDQ-MRXNPFEDSA-N -1 3 571.587 4.620 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(F)c1 ZINC000103403812 555390003 /nfs/dbraw/zinc/39/00/03/555390003.db2.gz VQELVZZAYSLGDQ-INIZCTEOSA-N -1 3 571.587 4.620 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(F)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103403826 555390030 /nfs/dbraw/zinc/39/00/30/555390030.db2.gz MFNUSZYXMMJNSJ-CVEARBPZSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(F)c1 ZINC000103403827 555390039 /nfs/dbraw/zinc/39/00/39/555390039.db2.gz MFNUSZYXMMJNSJ-HOTGVXAUSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@H](C)CC)nn1-c1cccc(F)c1 ZINC000103403829 555389915 /nfs/dbraw/zinc/38/99/15/555389915.db2.gz MFNUSZYXMMJNSJ-HZPDHXFCSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N[C@@H](C)CC)nn1-c1cccc(F)c1 ZINC000103403831 555389979 /nfs/dbraw/zinc/38/99/79/555389979.db2.gz MFNUSZYXMMJNSJ-JKSUJKDBSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103403836 555389994 /nfs/dbraw/zinc/38/99/94/555389994.db2.gz AOWRZQQXQSTUSU-MRXNPFEDSA-N -1 3 564.064 4.997 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103403838 555389902 /nfs/dbraw/zinc/38/99/02/555389902.db2.gz AOWRZQQXQSTUSU-INIZCTEOSA-N -1 3 564.064 4.997 50 5 KJBAHM Cc1c(C(=O)NC(C)C)nn(-c2cccc(C)c2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103403936 555390017 /nfs/dbraw/zinc/39/00/17/555390017.db2.gz NTGUWDDJLIWNAJ-UHFFFAOYSA-N -1 3 543.646 4.571 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@@H](C)CC)c1C ZINC000103404064 555390329 /nfs/dbraw/zinc/39/03/29/555390329.db2.gz HOEFNJBOZRBTIK-HNNXBMFYSA-N -1 3 550.037 4.751 50 5 KJBAHM CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-][C@H](C)CC)c1C ZINC000103404066 555390332 /nfs/dbraw/zinc/39/03/32/555390332.db2.gz HOEFNJBOZRBTIK-OAHLLOKOSA-N -1 3 550.037 4.751 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103404086 555390577 /nfs/dbraw/zinc/39/05/77/555390577.db2.gz RSFGEQCWKNSROS-UHFFFAOYSA-N -1 3 581.651 4.955 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103425954 555407001 /nfs/dbraw/zinc/40/70/01/555407001.db2.gz YFDCGUBTQYVRNH-UHFFFAOYSA-N -1 3 564.064 4.997 50 5 KJBAHM Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103426056 555407017 /nfs/dbraw/zinc/40/70/17/555407017.db2.gz WQFOJOJZRUEHPZ-UHFFFAOYSA-N -1 3 547.609 4.973 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(Cl)c1 ZINC000103426063 555406991 /nfs/dbraw/zinc/40/69/91/555406991.db2.gz HXCRISVSSLEOHD-UHFFFAOYSA-N -1 3 550.037 4.609 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2ccco2)nn1-c1cccc(Cl)c1 ZINC000103426081 555407014 /nfs/dbraw/zinc/40/70/14/555407014.db2.gz GHTBRHIXTVJHCG-UHFFFAOYSA-N -1 3 574.015 4.746 50 5 KJBAHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)Nc2ccc(F)cc2)nn1C(C)(C)C ZINC000103426150 555407385 /nfs/dbraw/zinc/40/73/85/555407385.db2.gz LVPAWPAJUXDURO-UHFFFAOYSA-N -1 3 533.582 4.727 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103426195 555407660 /nfs/dbraw/zinc/40/76/60/555407660.db2.gz TXUUDLGWMILRRS-UHFFFAOYSA-N -1 3 588.042 4.992 50 5 KJBAHM Cc1c(C(=O)N2CCCC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103428846 555411705 /nfs/dbraw/zinc/41/17/05/555411705.db2.gz CQPFWCPBBGKIRV-UHFFFAOYSA-N -1 3 562.048 4.705 50 5 KJBAHM Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432296 555413799 /nfs/dbraw/zinc/41/37/99/555413799.db2.gz BUQAAFYCFMYTGL-UHFFFAOYSA-N -1 3 571.587 4.620 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(Cl)c1 ZINC000103432324 555414168 /nfs/dbraw/zinc/41/41/68/555414168.db2.gz VIXZSSHOLYTCJH-CQSZACIVSA-N -1 3 548.021 4.504 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1-c1cccc(Cl)c1 ZINC000103432326 555414152 /nfs/dbraw/zinc/41/41/52/555414152.db2.gz VIXZSSHOLYTCJH-AWEZNQCLSA-N -1 3 548.021 4.504 50 5 KJBAHM Cc1c(C(=O)NC2CC2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432360 555414173 /nfs/dbraw/zinc/41/41/73/555414173.db2.gz BRETZBZQIFEEBI-UHFFFAOYSA-N -1 3 548.021 4.504 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432398 555414472 /nfs/dbraw/zinc/41/44/72/555414472.db2.gz LGDUXPVTMIVNLT-IERDGZPVSA-N -1 3 592.074 4.520 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432401 555414584 /nfs/dbraw/zinc/41/45/84/555414584.db2.gz LGDUXPVTMIVNLT-KKSFZXQISA-N -1 3 592.074 4.520 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432403 555414513 /nfs/dbraw/zinc/41/45/13/555414513.db2.gz LGDUXPVTMIVNLT-IIBYNOLFSA-N -1 3 592.074 4.520 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1-c1cccc(Cl)c1 ZINC000103432406 555414520 /nfs/dbraw/zinc/41/45/20/555414520.db2.gz LGDUXPVTMIVNLT-HRAATJIYSA-N -1 3 592.074 4.520 50 5 KJBAHM CCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103432410 555414551 /nfs/dbraw/zinc/41/45/51/555414551.db2.gz KAJLIVBTUALBJL-UHFFFAOYSA-N -1 3 550.037 4.751 50 5 KJBAHM CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103432414 555414507 /nfs/dbraw/zinc/41/45/07/555414507.db2.gz IUIGHVSILNBDTM-OAHLLOKOSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000103432416 555414547 /nfs/dbraw/zinc/41/45/47/555414547.db2.gz IUIGHVSILNBDTM-HNNXBMFYSA-N -1 3 547.609 4.625 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(Cl)c1 ZINC000103432440 555414486 /nfs/dbraw/zinc/41/44/86/555414486.db2.gz RKSPQZFTMGHQCN-MRXNPFEDSA-N -1 3 562.048 4.847 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCCC2)nn1-c1cccc(Cl)c1 ZINC000103432442 555414592 /nfs/dbraw/zinc/41/45/92/555414592.db2.gz RKSPQZFTMGHQCN-INIZCTEOSA-N -1 3 562.048 4.847 50 5 KJBAHM Cc1c(C(=O)NCc2cccnc2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432443 555414607 /nfs/dbraw/zinc/41/46/07/555414607.db2.gz WIKBYZCYFOIBDK-UHFFFAOYSA-N -1 3 599.069 4.936 50 5 KJBAHM Cc1c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432456 555414799 /nfs/dbraw/zinc/41/47/99/555414799.db2.gz RUSPXTUMKBXIER-FQEVSTJZSA-N -1 3 592.074 4.520 50 5 KJBAHM Cc1c(C(=O)NC[C@H]2CCCO2)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103432458 555414765 /nfs/dbraw/zinc/41/47/65/555414765.db2.gz RUSPXTUMKBXIER-HXUWFJFHSA-N -1 3 592.074 4.520 50 5 KJBAHM Cc1c(C(=O)N2CCCC2)nn(-c2cc(C)ccc2C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103433855 555416136 /nfs/dbraw/zinc/41/61/36/555416136.db2.gz MYNRKVNBSGQOEG-UHFFFAOYSA-N -1 3 555.657 4.811 50 5 KJBAHM CCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C ZINC000103434016 555416075 /nfs/dbraw/zinc/41/60/75/555416075.db2.gz NKHLSQMTPRDQET-UHFFFAOYSA-N -1 3 550.037 4.609 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(Cl)c1 ZINC000103434122 555416385 /nfs/dbraw/zinc/41/63/85/555416385.db2.gz PLPBWVODEONIBD-MRXNPFEDSA-N -1 3 564.064 4.997 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1-c1cccc(Cl)c1 ZINC000103434126 555416485 /nfs/dbraw/zinc/41/64/85/555416485.db2.gz PLPBWVODEONIBD-INIZCTEOSA-N -1 3 564.064 4.997 50 5 KJBAHM Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103434152 555416803 /nfs/dbraw/zinc/41/68/03/555416803.db2.gz YSSSUJGHNOIIBV-UHFFFAOYSA-N -1 3 550.037 4.607 50 5 KJBAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(Cl)c1 ZINC000103434161 555416792 /nfs/dbraw/zinc/41/67/92/555416792.db2.gz CEEZGFLSNGOUSV-OAHLLOKOSA-N -1 3 550.037 4.750 50 5 KJBAHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC(C)C)nn1-c1cccc(Cl)c1 ZINC000103434163 555416624 /nfs/dbraw/zinc/41/66/24/555416624.db2.gz CEEZGFLSNGOUSV-HNNXBMFYSA-N -1 3 550.037 4.750 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2cccc(Cl)c2)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000103435078 555417364 /nfs/dbraw/zinc/41/73/64/555417364.db2.gz PGGHTHNOHWSQIL-UHFFFAOYSA-N -1 3 550.037 4.703 50 5 KJBAHM Cc1c(C(=O)NCC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000103435085 555417405 /nfs/dbraw/zinc/41/74/05/555417405.db2.gz ROUMQVXMQFQHQC-UHFFFAOYSA-N -1 3 564.064 4.855 50 5 KJBAHM CCCN(C)C(=O)c1nn(-c2cccc(C)c2C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C ZINC000103435112 555417716 /nfs/dbraw/zinc/41/77/16/555417716.db2.gz TVHVNYJKBIREPU-UHFFFAOYSA-N -1 3 543.646 4.667 50 5 KJBAHM Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C ZINC000103435143 555417696 /nfs/dbraw/zinc/41/76/96/555417696.db2.gz REKSJUGMICAQHY-UHFFFAOYSA-N -1 3 550.037 4.750 50 5 KJBAHM Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518760 555424270 /nfs/dbraw/zinc/42/42/70/555424270.db2.gz HDQFFEWVVXIMCS-PJKQZJAASA-N -1 3 542.979 4.571 50 5 KJBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000103541484 555438652 /nfs/dbraw/zinc/43/86/52/555438652.db2.gz QFQNFSBUMVTLLS-CKXMCULTSA-N -1 3 542.551 4.846 50 5 KJBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103541489 555438702 /nfs/dbraw/zinc/43/87/02/555438702.db2.gz QFQNFSBUMVTLLS-YSGXDJDMSA-N -1 3 542.551 4.846 50 5 KJBAHM CC1=C(C(=O)OC/C=C\c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2[O-])=C(C)N1 ZINC000103640320 555460045 /nfs/dbraw/zinc/46/00/45/555460045.db2.gz OTVRBVIQRQRHQE-UBQLLILKSA-N -1 3 597.624 4.765 50 5 KJBAHM CC1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2[O-])=C(C)N1 ZINC000103640324 555460026 /nfs/dbraw/zinc/46/00/26/555460026.db2.gz OTVRBVIQRQRHQE-LFNCSFBISA-N -1 3 597.624 4.765 50 5 KJBAHM CC1=C(C(=O)OC/C=C\c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2[O-])=C(C)N1 ZINC000103640326 555460121 /nfs/dbraw/zinc/46/01/21/555460121.db2.gz OTVRBVIQRQRHQE-VKFCVCSXSA-N -1 3 597.624 4.765 50 5 KJBAHM CC1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2ccccc2[O-])=C(C)N1 ZINC000103640328 555460182 /nfs/dbraw/zinc/46/01/82/555460182.db2.gz OTVRBVIQRQRHQE-MIANJLSGSA-N -1 3 597.624 4.765 50 5 KJBAHM COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C=C([O-])C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000104161713 571375839 /nfs/dbraw/zinc/37/58/39/571375839.db2.gz CYKPTQGJDPRULX-UHFFFAOYSA-N -1 3 599.343 4.764 50 5 KJBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000105795365 571408712 /nfs/dbraw/zinc/40/87/12/571408712.db2.gz CSMNRWJAVWAZLV-OZNIXHKMSA-N -1 3 585.594 4.722 50 5 KJBAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000105796593 571408877 /nfs/dbraw/zinc/40/88/77/571408877.db2.gz YTGUMACEWQRQPH-WMTXJRDZSA-N -1 3 568.380 4.508 50 5 KJBAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000105796596 571408957 /nfs/dbraw/zinc/40/89/57/571408957.db2.gz YTGUMACEWQRQPH-CQOQZXRMSA-N -1 3 568.380 4.508 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000105906396 571409316 /nfs/dbraw/zinc/40/93/16/571409316.db2.gz RKULNISVQLWWTA-KMDXXIMOSA-N -1 3 547.589 4.763 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000105906398 571409319 /nfs/dbraw/zinc/40/93/19/571409319.db2.gz RKULNISVQLWWTA-TZRRMPRUSA-N -1 3 547.589 4.763 50 5 KJBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000105990213 571410028 /nfs/dbraw/zinc/41/00/28/571410028.db2.gz TXOPZUAEOPGLDM-INNMJMHTSA-N -1 3 555.543 4.825 50 5 KJBAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000106017689 571410570 /nfs/dbraw/zinc/41/05/70/571410570.db2.gz COHIBGBERYDFRK-JCYYIGJDSA-N -1 3 565.538 4.874 50 5 KJBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000106018281 571410594 /nfs/dbraw/zinc/41/05/94/571410594.db2.gz DVCZDRCEAYRFBE-UPRLRBBYSA-N -1 3 585.594 4.722 50 5 KJBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000106018284 571410471 /nfs/dbraw/zinc/41/04/71/571410471.db2.gz DVCZDRCEAYRFBE-JCYYIGJDSA-N -1 3 585.594 4.722 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106019496 571410736 /nfs/dbraw/zinc/41/07/36/571410736.db2.gz NACQJOHCJVBLGN-JCYYIGJDSA-N -1 3 565.538 4.874 50 5 KJBAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000106019525 571410655 /nfs/dbraw/zinc/41/06/55/571410655.db2.gz XEPTUFMXUZSMFQ-PNIUZAESSA-N -1 3 577.590 4.851 50 5 KJBAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000106019528 571410705 /nfs/dbraw/zinc/41/07/05/571410705.db2.gz XEPTUFMXUZSMFQ-CERRFVOPSA-N -1 3 577.590 4.851 50 5 KJBAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000106020474 571410804 /nfs/dbraw/zinc/41/08/04/571410804.db2.gz JJWRMUDJDIYGKZ-JCYYIGJDSA-N -1 3 565.538 4.874 50 5 KJBAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000106020707 571410818 /nfs/dbraw/zinc/41/08/18/571410818.db2.gz ZVDLMIMHKPDZTD-RBZQAINGSA-N -1 3 568.380 4.816 50 5 KJBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000106020711 571410876 /nfs/dbraw/zinc/41/08/76/571410876.db2.gz ZVDLMIMHKPDZTD-WXFUMESZSA-N -1 3 568.380 4.816 50 5 KJBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000106021021 571410942 /nfs/dbraw/zinc/41/09/42/571410942.db2.gz FIXGWXNWRWCBJM-HZFUHODCSA-N -1 3 585.594 4.722 50 5 KJBAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000106021023 571410925 /nfs/dbraw/zinc/41/09/25/571410925.db2.gz FIXGWXNWRWCBJM-OZNIXHKMSA-N -1 3 585.594 4.722 50 5 KJBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000137808045 571450638 /nfs/dbraw/zinc/45/06/38/571450638.db2.gz KARGIIANLDRNMK-YTFSRNRJSA-N -1 3 500.898 4.848 50 5 KJBAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137826674 571450586 /nfs/dbraw/zinc/45/05/86/571450586.db2.gz RXTZBZXMDAUWOR-JIMJEQGWSA-N -1 3 517.538 4.833 50 5 KJBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(O)cc1 ZINC000137883069 571450709 /nfs/dbraw/zinc/45/07/09/571450709.db2.gz HXYCEHUCXGWJSZ-PCCBWWKXSA-N -1 3 500.294 4.658 50 5 KJBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000137884816 571450895 /nfs/dbraw/zinc/45/08/95/571450895.db2.gz YCWQKBYHWRTJHQ-PCCBWWKXSA-N -1 3 512.291 4.548 50 5 KJBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(F)cc1 ZINC000150432514 571494225 /nfs/dbraw/zinc/49/42/25/571494225.db2.gz LCXAGPLDUDVOIP-UHFFFAOYSA-N -1 3 651.595 4.894 50 5 KJBAHM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1cccc(F)c1 ZINC000150432554 571494333 /nfs/dbraw/zinc/49/43/33/571494333.db2.gz VOXMDNSAFUAZSG-UHFFFAOYSA-N -1 3 651.595 4.894 50 5 KJBAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000169690228 571558416 /nfs/dbraw/zinc/55/84/16/571558416.db2.gz NOPYBGDZQFYFSS-KMDXXIMOSA-N -1 3 547.589 4.681 50 5 KJBAHM COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000198722912 571568619 /nfs/dbraw/zinc/56/86/19/571568619.db2.gz AAILKVWHEZDLML-UHFFFAOYSA-N -1 3 554.346 4.856 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000225163844 571653641 /nfs/dbraw/zinc/65/36/41/571653641.db2.gz HUFMLFFVGLRPHU-OYUWMTPXSA-N -1 3 580.509 4.773 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000225163925 571653638 /nfs/dbraw/zinc/65/36/38/571653638.db2.gz HUFMLFFVGLRPHU-ZONZVBGPSA-N -1 3 580.509 4.773 50 5 KJBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227018905 572147399 /nfs/dbraw/zinc/14/73/99/572147399.db2.gz CSMNRWJAVWAZLV-HZFUHODCSA-N -1 3 585.594 4.722 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000227070306 572148905 /nfs/dbraw/zinc/14/89/05/572148905.db2.gz SMCKRAPUDIDSSG-OYUWMTPXSA-N -1 3 525.517 4.816 50 5 KJBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227083106 572149792 /nfs/dbraw/zinc/14/97/92/572149792.db2.gz PQOCXMGKHRLBJX-BHDDXSALSA-N -1 3 542.317 4.556 50 5 KJBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000227085874 572150225 /nfs/dbraw/zinc/15/02/25/572150225.db2.gz TXOPZUAEOPGLDM-BXTSTYNKSA-N -1 3 555.543 4.825 50 5 KJBAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000227086616 572150483 /nfs/dbraw/zinc/15/04/83/572150483.db2.gz COHIBGBERYDFRK-HZFUHODCSA-N -1 3 565.538 4.874 50 5 KJBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000227230023 572150808 /nfs/dbraw/zinc/15/08/08/572150808.db2.gz DVCZDRCEAYRFBE-HZFUHODCSA-N -1 3 585.594 4.722 50 5 KJBAHM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000227233830 572151754 /nfs/dbraw/zinc/15/17/54/572151754.db2.gz JXJTWXJZSZYYJA-YTFSRNRJSA-N -1 3 522.355 4.971 50 5 KJBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000227234507 572151819 /nfs/dbraw/zinc/15/18/19/572151819.db2.gz KTGJPNGCODAZTE-YTFSRNRJSA-N -1 3 538.354 4.725 50 5 KJBAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1 ZINC000227235718 572151727 /nfs/dbraw/zinc/15/17/27/572151727.db2.gz ZHOHUBOBSUQXHY-BHDDXSALSA-N -1 3 542.317 4.556 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000227235754 572151775 /nfs/dbraw/zinc/15/17/75/572151775.db2.gz XDJVBOVYZPVUFC-YTFSRNRJSA-N -1 3 544.347 4.970 50 5 KJBAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000227236528 572151648 /nfs/dbraw/zinc/15/16/48/572151648.db2.gz JKALMILGQCTTEK-JIMJEQGWSA-N -1 3 517.538 4.833 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227240959 572152476 /nfs/dbraw/zinc/15/24/76/572152476.db2.gz NACQJOHCJVBLGN-UPRLRBBYSA-N -1 3 565.538 4.874 50 5 KJBAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000227243603 572153031 /nfs/dbraw/zinc/15/30/31/572153031.db2.gz JJWRMUDJDIYGKZ-UPRLRBBYSA-N -1 3 565.538 4.874 50 5 KJBAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000227244103 572153052 /nfs/dbraw/zinc/15/30/52/572153052.db2.gz KGBLZUFTTAWBDC-OYUWMTPXSA-N -1 3 535.512 4.865 50 5 KJBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229596836 572155296 /nfs/dbraw/zinc/15/52/96/572155296.db2.gz QFQNFSBUMVTLLS-WPQKMFINSA-N -1 3 542.551 4.846 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229869193 572162989 /nfs/dbraw/zinc/16/29/89/572162989.db2.gz ZMDOZOHHCXQZTJ-FQJHJXCSSA-N -1 3 513.937 4.810 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000229874296 572164703 /nfs/dbraw/zinc/16/47/03/572164703.db2.gz HXLIQMCRPKSYOP-TXQUNOLYSA-N -1 3 507.546 4.856 50 5 KJBAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229909801 572168427 /nfs/dbraw/zinc/16/84/27/572168427.db2.gz HXEWDDRSXPSICH-BHDDXSALSA-N -1 3 514.321 4.961 50 5 KJBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(O)cc1 ZINC000229921168 572169687 /nfs/dbraw/zinc/16/96/87/572169687.db2.gz HXYCEHUCXGWJSZ-PWRODBHTSA-N -1 3 500.294 4.658 50 5 KJBAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000229930655 572170811 /nfs/dbraw/zinc/17/08/11/572170811.db2.gz XEPTUFMXUZSMFQ-BXTSTYNKSA-N -1 3 577.590 4.851 50 5 KJBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000229943625 572172583 /nfs/dbraw/zinc/17/25/83/572172583.db2.gz FIXGWXNWRWCBJM-UPRLRBBYSA-N -1 3 585.594 4.722 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000229967727 572174744 /nfs/dbraw/zinc/17/47/44/572174744.db2.gz NILNZZSEIZWHAH-BHDDXSALSA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000229967761 572174407 /nfs/dbraw/zinc/17/44/07/572174407.db2.gz YOOHXOKNVQNNGU-RBZQAINGSA-N -1 3 547.589 4.763 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000229967816 572174713 /nfs/dbraw/zinc/17/47/13/572174713.db2.gz ULOLGBZDOHNAAX-BHDDXSALSA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000229967828 572174610 /nfs/dbraw/zinc/17/46/10/572174610.db2.gz RKULNISVQLWWTA-RBZQAINGSA-N -1 3 547.589 4.763 50 5 KJBAHM Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000230034889 572180672 /nfs/dbraw/zinc/18/06/72/572180672.db2.gz HDQFFEWVVXIMCS-GXQHJZMOSA-N -1 3 542.979 4.571 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000238924250 572189497 /nfs/dbraw/zinc/18/94/97/572189497.db2.gz RKULNISVQLWWTA-WXFUMESZSA-N -1 3 547.589 4.763 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000238937224 572189590 /nfs/dbraw/zinc/18/95/90/572189590.db2.gz ULOLGBZDOHNAAX-YPAWHYETSA-N -1 3 521.551 4.501 50 5 KJBAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000238950546 572190006 /nfs/dbraw/zinc/19/00/06/572190006.db2.gz YOOHXOKNVQNNGU-WXFUMESZSA-N -1 3 547.589 4.763 50 5 KJBAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000245026729 572200967 /nfs/dbraw/zinc/20/09/67/572200967.db2.gz NILNZZSEIZWHAH-YPAWHYETSA-N -1 3 521.551 4.501 50 5 KJBAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245245248 572217183 /nfs/dbraw/zinc/21/71/83/572217183.db2.gz COHIBGBERYDFRK-OZNIXHKMSA-N -1 3 565.538 4.874 50 5 KJBAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245246091 572218794 /nfs/dbraw/zinc/21/87/94/572218794.db2.gz HXEWDDRSXPSICH-YPAWHYETSA-N -1 3 514.321 4.961 50 5 KJBAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245247782 572221328 /nfs/dbraw/zinc/22/13/28/572221328.db2.gz XEPTUFMXUZSMFQ-INNMJMHTSA-N -1 3 577.590 4.851 50 5 KJBAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000245247959 572221578 /nfs/dbraw/zinc/22/15/78/572221578.db2.gz ZVDLMIMHKPDZTD-TZRRMPRUSA-N -1 3 568.380 4.816 50 5 KJBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000245325167 572231529 /nfs/dbraw/zinc/23/15/29/572231529.db2.gz CSMNRWJAVWAZLV-JCYYIGJDSA-N -1 3 585.594 4.722 50 5 KJBAHM O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=C([O-])c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247335049 572241634 /nfs/dbraw/zinc/24/16/34/572241634.db2.gz QFQNFSBUMVTLLS-QNNAYCHJSA-N -1 3 542.551 4.846 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000253387169 572282451 /nfs/dbraw/zinc/28/24/51/572282451.db2.gz ZMDOZOHHCXQZTJ-NXNJFABFSA-N -1 3 513.937 4.810 50 5 KJBAHM Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000253487233 572290358 /nfs/dbraw/zinc/29/03/58/572290358.db2.gz HDQFFEWVVXIMCS-WYDAKKJLSA-N -1 3 542.979 4.571 50 5 KJBAHM CC(=O)[C@@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000253487268 572290449 /nfs/dbraw/zinc/29/04/49/572290449.db2.gz HXLIQMCRPKSYOP-LCQQBMRFSA-N -1 3 507.546 4.856 50 5 KJBAHM CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000253487268 572290447 /nfs/dbraw/zinc/29/04/47/572290447.db2.gz HXLIQMCRPKSYOP-LCQQBMRFSA-N -1 3 507.546 4.856 50 5 KJBAHM