smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359716481 1064265235 /nfs/dbraw/zinc/26/52/35/1064265235.db2.gz ITZJBZXMGUBOCP-UHFFFAOYSA-N 0 0 480.516 4.765 20 5 JJBDRN CC(C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1Cc1cscc1C(F)(F)F ZINC001359717140 1064265627 /nfs/dbraw/zinc/26/56/27/1064265627.db2.gz JXSDGLRILFBKLZ-UHFFFAOYSA-N 0 0 480.516 4.765 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCCN(CC(F)F)CC1 ZINC001545865209 1064272749 /nfs/dbraw/zinc/27/27/49/1064272749.db2.gz SEULERKZIBKXFM-UHFFFAOYSA-N 0 0 455.914 4.812 20 5 JJBDRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOc2ccc(Cl)cn2)C1 ZINC001359729366 1064279753 /nfs/dbraw/zinc/27/97/53/1064279753.db2.gz YGURFHBSLOOXCA-GOSISDBHSA-N 0 0 470.961 4.853 20 5 JJBDRN CC(C)[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359734169 1064292593 /nfs/dbraw/zinc/29/25/93/1064292593.db2.gz NSELCBIQZYOKPT-OAQYLSRUSA-N 0 0 484.601 4.878 20 5 JJBDRN CC(C)C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1 ZINC001545884057 1064300304 /nfs/dbraw/zinc/30/03/04/1064300304.db2.gz ICFRCWIAJSQHIW-SFHVURJKSA-N 0 0 453.524 4.578 20 5 JJBDRN CC(C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001359739185 1064305695 /nfs/dbraw/zinc/30/56/95/1064305695.db2.gz NMGWFFMXAWSCQC-INIZCTEOSA-N 0 0 455.588 4.533 20 5 JJBDRN COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001434883274 1064315892 /nfs/dbraw/zinc/31/58/92/1064315892.db2.gz KETDFRZFMSKJPA-UHFFFAOYSA-N 0 0 458.430 4.612 20 5 JJBDRN CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2(C)C)CCS1 ZINC001359746154 1064322703 /nfs/dbraw/zinc/32/27/03/1064322703.db2.gz AHIVHTMDOSLVRS-PKOBYXMFSA-N 0 0 461.657 4.963 20 5 JJBDRN CN(CC(=O)NCC(C)(C)c1cccc(Cl)c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001434906854 1064333991 /nfs/dbraw/zinc/33/39/91/1064333991.db2.gz MKHQNQRTYLZZDH-UHFFFAOYSA-N 0 0 454.752 4.541 20 5 JJBDRN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC001434910296 1064336151 /nfs/dbraw/zinc/33/61/51/1064336151.db2.gz AHGCHQYXOOIUKI-OAQYLSRUSA-N 0 0 450.491 4.643 20 5 JJBDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001359762836 1064376524 /nfs/dbraw/zinc/37/65/24/1064376524.db2.gz ZQYWXRQJQSORII-HYBUGGRVSA-N 0 0 484.645 4.553 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CCOCC1 ZINC001359762797 1064376671 /nfs/dbraw/zinc/37/66/71/1064376671.db2.gz ZFWWAJFYSWQRER-GMAHTHKFSA-N 0 0 471.602 4.557 20 5 JJBDRN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001434977886 1064393776 /nfs/dbraw/zinc/39/37/76/1064393776.db2.gz YSDICHFQYJIGDS-HSZRJFAPSA-N 0 0 459.502 4.659 20 5 JJBDRN COC(=O)c1occc1CN(C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@H](C)c1ccccn1 ZINC001435014533 1064431634 /nfs/dbraw/zinc/43/16/34/1064431634.db2.gz HSTNSHCIQWJSRM-CQSZACIVSA-N 0 0 457.870 4.735 20 5 JJBDRN COC(=O)c1occc1CN(C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])[C@@H](C)c1ccccn1 ZINC001435014531 1064431799 /nfs/dbraw/zinc/43/17/99/1064431799.db2.gz HSTNSHCIQWJSRM-AWEZNQCLSA-N 0 0 457.870 4.735 20 5 JJBDRN Cc1cc(F)cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001435015537 1064432551 /nfs/dbraw/zinc/43/25/51/1064432551.db2.gz BVELCQDGDKYIBE-STQMWFEESA-N 0 0 455.408 4.927 20 5 JJBDRN CC(C)Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001359786692 1064440841 /nfs/dbraw/zinc/44/08/41/1064440841.db2.gz GNHHFECIWBDZSS-UHFFFAOYSA-N 0 0 452.559 4.888 20 5 JJBDRN O=C(C1CC(c2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435030631 1064448256 /nfs/dbraw/zinc/44/82/56/1064448256.db2.gz LOLAGINCZNNSON-UHFFFAOYSA-N 0 0 451.420 4.595 20 5 JJBDRN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001435037189 1064452435 /nfs/dbraw/zinc/45/24/35/1064452435.db2.gz FOKOGDYTWJBQKX-UHFFFAOYSA-N 0 0 450.401 4.890 20 5 JJBDRN CC[C@H](C)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048525 1064465687 /nfs/dbraw/zinc/46/56/87/1064465687.db2.gz DIXOAVGHIUFILU-YCRPNKLZSA-N 0 0 458.946 4.632 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 ZINC001435070081 1064491264 /nfs/dbraw/zinc/49/12/64/1064491264.db2.gz VOYRWKCBOSJLCY-UHFFFAOYSA-N 0 0 453.476 4.771 20 5 JJBDRN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001435076884 1064500001 /nfs/dbraw/zinc/50/00/01/1064500001.db2.gz VHSUYUVVMGUEPO-SFHVURJKSA-N 0 0 451.306 4.681 20 5 JJBDRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001435080816 1064502624 /nfs/dbraw/zinc/50/26/24/1064502624.db2.gz RKQXYYDWMONBAQ-CYBMUJFWSA-N 0 0 451.483 4.843 20 5 JJBDRN COCCSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 ZINC001435106762 1064516716 /nfs/dbraw/zinc/51/67/16/1064516716.db2.gz POEPYXRERWVDOF-CYBMUJFWSA-N 0 0 453.358 4.895 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)cc2[N+](=O)[O-])C1 ZINC001435113406 1064521365 /nfs/dbraw/zinc/52/13/65/1064521365.db2.gz VHQXXRNUMHQBQE-IYBDPMFKSA-N 0 0 454.502 4.595 20 5 JJBDRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001359837911 1064524763 /nfs/dbraw/zinc/52/47/63/1064524763.db2.gz PYSIMZQEYREWMR-IVZQSRNASA-N 0 0 453.967 4.771 20 5 JJBDRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001359838353 1064525136 /nfs/dbraw/zinc/52/51/36/1064525136.db2.gz ZIGKMVRGYRNUGU-YEJXKQKISA-N 0 0 457.930 4.520 20 5 JJBDRN C[C@H](CCc1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001359839996 1064526345 /nfs/dbraw/zinc/52/63/45/1064526345.db2.gz RMRLKJYDGYKPEX-OAHLLOKOSA-N 0 0 453.436 4.670 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCSC[C@@H]3c3ccc(C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC001435120254 1064526392 /nfs/dbraw/zinc/52/63/92/1064526392.db2.gz PHGYNCAPIHUAIQ-JOCHJYFZSA-N 0 0 450.564 4.695 20 5 JJBDRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC001435120922 1064526804 /nfs/dbraw/zinc/52/68/04/1064526804.db2.gz SZODIGCVEPCZKD-CYBMUJFWSA-N 0 0 458.683 4.604 20 5 JJBDRN C[C@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001435125967 1064531971 /nfs/dbraw/zinc/53/19/71/1064531971.db2.gz UWZKTSUUEZNBGF-OAHLLOKOSA-N 0 0 458.467 4.717 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H](c1cccnc1)C(C)C ZINC001359852135 1064539707 /nfs/dbraw/zinc/53/97/07/1064539707.db2.gz LCJVINDZPMZTLG-DEOSSOPVSA-N 0 0 477.613 4.546 20 5 JJBDRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001435143350 1064543560 /nfs/dbraw/zinc/54/35/60/1064543560.db2.gz UGWQQVWAYXCBLV-UHFFFAOYSA-N 0 0 456.838 4.845 20 5 JJBDRN CCOC(=O)c1ccccc1N(CC)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001435158226 1064554927 /nfs/dbraw/zinc/55/49/27/1064554927.db2.gz DHMGUOGPUHTLDA-UHFFFAOYSA-N 0 0 453.417 4.645 20 5 JJBDRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001435179173 1064571621 /nfs/dbraw/zinc/57/16/21/1064571621.db2.gz WZKIGUFRNWEEGT-UHFFFAOYSA-N 0 0 454.792 4.686 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435182192 1064573275 /nfs/dbraw/zinc/57/32/75/1064573275.db2.gz CKEZTDXFNDWTDG-JKSUJKDBSA-N 0 0 450.520 4.600 20 5 JJBDRN COc1ccc(CSCC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)cc1[N+](=O)[O-] ZINC001435187137 1064576586 /nfs/dbraw/zinc/57/65/86/1064576586.db2.gz VCXGFQSNGSVBGE-UHFFFAOYSA-N 0 0 459.568 4.506 20 5 JJBDRN CC(C)(C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001435190335 1064579990 /nfs/dbraw/zinc/57/99/90/1064579990.db2.gz OOWJUMUUXSNWAX-UHFFFAOYSA-N 0 0 452.404 4.550 20 5 JJBDRN O=C(Nc1cccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 ZINC001435203588 1064589582 /nfs/dbraw/zinc/58/95/82/1064589582.db2.gz VHBPCDIPOZYKFX-HSZRJFAPSA-N 0 0 451.479 4.874 20 5 JJBDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001359897805 1064601579 /nfs/dbraw/zinc/60/15/79/1064601579.db2.gz GHULIWBMASSCRT-UHFFFAOYSA-N 0 0 458.522 4.522 20 5 JJBDRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435222308 1064603178 /nfs/dbraw/zinc/60/31/78/1064603178.db2.gz PNTUNTJOUUBUGJ-UHFFFAOYSA-N 0 0 450.822 4.929 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001359899478 1064606143 /nfs/dbraw/zinc/60/61/43/1064606143.db2.gz BYJQRSQNPDMVBM-OAHLLOKOSA-N 0 0 454.866 4.978 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cc([N+](=O)[O-])c1 ZINC001435231460 1064610858 /nfs/dbraw/zinc/61/08/58/1064610858.db2.gz VFGLFPUUXJUDDY-UHFFFAOYSA-N 0 0 450.838 4.626 20 5 JJBDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C)c1 ZINC001435231984 1064612574 /nfs/dbraw/zinc/61/25/74/1064612574.db2.gz BFFMCVPGWBIYML-UHFFFAOYSA-N 0 0 459.510 4.528 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C ZINC001359920101 1064644030 /nfs/dbraw/zinc/64/40/30/1064644030.db2.gz ZIFYUMUTOAJNFL-UHFFFAOYSA-N 0 0 454.792 4.928 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1cccc(OCC(F)(F)F)c1 ZINC001359920281 1064644118 /nfs/dbraw/zinc/64/41/18/1064644118.db2.gz OMZDZISUPYBTNJ-UHFFFAOYSA-N 0 0 452.307 4.962 20 5 JJBDRN COc1cc(C(=O)N2CCCC[C@@H]2c2ncon2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001435274111 1064652364 /nfs/dbraw/zinc/65/23/64/1064652364.db2.gz NQOCQUMDGFUTLK-OAHLLOKOSA-N 0 0 458.858 4.800 20 5 JJBDRN COc1ccc2cc([C@H](C)OC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)ccc2c1 ZINC001435278806 1064657364 /nfs/dbraw/zinc/65/73/64/1064657364.db2.gz XKDSUTWHORFGSS-INIZCTEOSA-N 0 0 459.458 4.529 20 5 JJBDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC001435285095 1064662674 /nfs/dbraw/zinc/66/26/74/1064662674.db2.gz XRJXSTCWPVRKLB-INIZCTEOSA-N 0 0 453.499 4.727 20 5 JJBDRN Cn1c(C(F)(F)F)nc2cncc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)c21 ZINC001435300597 1064675904 /nfs/dbraw/zinc/67/59/04/1064675904.db2.gz HUQDFJFYWXCZBH-UHFFFAOYSA-N 0 0 455.396 4.742 20 5 JJBDRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC001435300870 1064676014 /nfs/dbraw/zinc/67/60/14/1064676014.db2.gz KINSTDQSTMZCRR-HSZRJFAPSA-N 0 0 457.530 4.609 20 5 JJBDRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)C1 ZINC001435300874 1064676063 /nfs/dbraw/zinc/67/60/63/1064676063.db2.gz KINSTDQSTMZCRR-QHCPKHFHSA-N 0 0 457.530 4.609 20 5 JJBDRN CC(C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001359934136 1064677166 /nfs/dbraw/zinc/67/71/66/1064677166.db2.gz XKSGKLLXLOJHQB-UHFFFAOYSA-N 0 0 461.929 4.730 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001435302837 1064677787 /nfs/dbraw/zinc/67/77/87/1064677787.db2.gz TWFXNENEEUQPMN-UHFFFAOYSA-N 0 0 454.486 4.813 20 5 JJBDRN COc1cc(C(=O)NC[C@@H](C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435303057 1064678560 /nfs/dbraw/zinc/67/85/60/1064678560.db2.gz UKTRLZFQIMYNED-GOSISDBHSA-N 0 0 450.491 4.688 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC001435316239 1064688477 /nfs/dbraw/zinc/68/84/77/1064688477.db2.gz OUJXXVWUFNGSFQ-UHFFFAOYSA-N 0 0 453.476 4.690 20 5 JJBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001435329600 1064700745 /nfs/dbraw/zinc/70/07/45/1064700745.db2.gz GMQRIOXHNCVPSD-HSZRJFAPSA-N 0 0 456.857 4.607 20 5 JJBDRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC001435343921 1064712309 /nfs/dbraw/zinc/71/23/09/1064712309.db2.gz YEYIUPSXMJOTAW-KRWDZBQOSA-N 0 0 457.490 4.684 20 5 JJBDRN Cc1cc(I)cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1C ZINC001435358093 1064722012 /nfs/dbraw/zinc/72/20/12/1064722012.db2.gz HCEGHLHBXSNJTK-UHFFFAOYSA-N 0 0 452.292 4.569 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@@H]2CCCC[C@@H]21 ZINC001435359270 1064723361 /nfs/dbraw/zinc/72/33/61/1064723361.db2.gz RWDIDWNEEWSIHR-BVSLBCMMSA-N 0 0 459.587 4.992 20 5 JJBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)c1 ZINC001359957707 1064725989 /nfs/dbraw/zinc/72/59/89/1064725989.db2.gz XZSZQJOVURECGG-UHFFFAOYSA-N 0 0 456.252 4.501 20 5 JJBDRN O=C(OCc1ccc(Cl)cc1Cl)c1cc(I)cc([N+](=O)[O-])c1 ZINC001435383164 1064731766 /nfs/dbraw/zinc/73/17/66/1064731766.db2.gz NDQFKMSMIRPOSN-UHFFFAOYSA-N 0 0 452.031 4.863 20 5 JJBDRN O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001359960394 1064732325 /nfs/dbraw/zinc/73/23/25/1064732325.db2.gz POMCMYJPTSLEEM-UHFFFAOYSA-N 0 0 451.910 4.788 20 5 JJBDRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)[C@@H]2c2cccs2)cc1 ZINC001435384324 1064733008 /nfs/dbraw/zinc/73/30/08/1064733008.db2.gz HGHDWSRILNOELW-HTAPYJJXSA-N 0 0 450.520 4.791 20 5 JJBDRN Cc1c(Br)cc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1[N+](=O)[O-] ZINC001435387599 1064735013 /nfs/dbraw/zinc/73/50/13/1064735013.db2.gz NDKIGTWMUBVGSS-UHFFFAOYSA-N 0 0 458.234 4.695 20 5 JJBDRN Cc1cccc(N2N=C(C(=O)OCc3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)CCC2=O)c1 ZINC001435389865 1064735515 /nfs/dbraw/zinc/73/55/15/1064735515.db2.gz HIZBCQQLKSGIBJ-UHFFFAOYSA-N 0 0 459.458 4.922 20 5 JJBDRN CCOc1cccc([C@H](CC)OC(=O)c2ccc([N+](=O)[O-])cc2I)c1 ZINC001435395505 1064737831 /nfs/dbraw/zinc/73/78/31/1064737831.db2.gz YWHYRTXIZRNKGS-KRWDZBQOSA-N 0 0 455.248 4.906 20 5 JJBDRN CCOc1cccc([C@H](CC)OC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC001435394575 1064737859 /nfs/dbraw/zinc/73/78/59/1064737859.db2.gz SKGXADVXVIWDEF-KRWDZBQOSA-N 0 0 455.248 4.906 20 5 JJBDRN CCNc1ccc(C(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1[N+](=O)[O-] ZINC001435433978 1064755066 /nfs/dbraw/zinc/75/50/66/1064755066.db2.gz KEPGYSMGXIUQLA-HSZRJFAPSA-N 0 0 453.470 4.702 20 5 JJBDRN CCNc1ccc(C(=O)N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1[N+](=O)[O-] ZINC001435433979 1064755250 /nfs/dbraw/zinc/75/52/50/1064755250.db2.gz KEPGYSMGXIUQLA-QHCPKHFHSA-N 0 0 453.470 4.702 20 5 JJBDRN O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001435443331 1064759697 /nfs/dbraw/zinc/75/96/97/1064759697.db2.gz LCYHLNLTQKTHHV-UHFFFAOYSA-N 0 0 451.458 4.691 20 5 JJBDRN O=C(Nc1ccc(Cl)cc1I)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001435458140 1064768335 /nfs/dbraw/zinc/76/83/35/1064768335.db2.gz GHLVHJOIONVJIZ-UHFFFAOYSA-N 0 0 457.655 4.679 20 5 JJBDRN Cc1cc(Br)cnc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001435461849 1064771385 /nfs/dbraw/zinc/77/13/85/1064771385.db2.gz VWPULSMCYPOWOG-ZDUSSCGKSA-N 0 0 456.300 4.881 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC001435467278 1064774785 /nfs/dbraw/zinc/77/47/85/1064774785.db2.gz KGCKFSVLWOBQSY-UHFFFAOYSA-N 0 0 454.733 4.901 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c(=O)n(C)c1 ZINC001435470153 1064776429 /nfs/dbraw/zinc/77/64/29/1064776429.db2.gz SCNDQTFTUURCJF-UHFFFAOYSA-N 0 0 452.517 4.615 20 5 JJBDRN C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001435523908 1064806414 /nfs/dbraw/zinc/80/64/14/1064806414.db2.gz LWMYUOFKLUARGG-SIKLNZKXSA-N 0 0 451.567 4.599 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC001435524758 1064807281 /nfs/dbraw/zinc/80/72/81/1064807281.db2.gz YPKCGFPGGGYOMG-SNVBAGLBSA-N 0 0 457.683 4.502 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2-n2ccc(C)n2)cc1 ZINC001435529278 1064810626 /nfs/dbraw/zinc/81/06/26/1064810626.db2.gz RFZJSOBPQWYFLT-UHFFFAOYSA-N 0 0 458.474 4.820 20 5 JJBDRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001360018436 1064820397 /nfs/dbraw/zinc/82/03/97/1064820397.db2.gz ZVCZFMVQIPCFGZ-UHFFFAOYSA-N 0 0 453.445 4.975 20 5 JJBDRN Cc1ccc(-c2cccc(CNC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)c2)cc1 ZINC001435559286 1064831263 /nfs/dbraw/zinc/83/12/63/1064831263.db2.gz ZIBCTTSBBOKCAF-UHFFFAOYSA-N 0 0 459.531 4.780 20 5 JJBDRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC001435562243 1064834600 /nfs/dbraw/zinc/83/46/00/1064834600.db2.gz HQLLMPIXPJSIES-UHFFFAOYSA-N 0 0 453.655 4.896 20 5 JJBDRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC001435563303 1064835373 /nfs/dbraw/zinc/83/53/73/1064835373.db2.gz KSADIHMTYUBYMT-UHFFFAOYSA-N 0 0 450.289 4.634 20 5 JJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001435588058 1064852896 /nfs/dbraw/zinc/85/28/96/1064852896.db2.gz VWZVTORGMCLAID-KRWDZBQOSA-N 0 0 458.584 4.989 20 5 JJBDRN Cc1ccccc1-c1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2cnn(C(C)C)c2n1 ZINC001360041724 1064857711 /nfs/dbraw/zinc/85/77/11/1064857711.db2.gz KBNCVXUSCUYTRS-UHFFFAOYSA-N 0 0 459.506 4.705 20 5 JJBDRN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001360042631 1064858972 /nfs/dbraw/zinc/85/89/72/1064858972.db2.gz ZOWMYUQNJKIQIY-UHFFFAOYSA-N 0 0 456.502 4.819 20 5 JJBDRN CCS[C@@H]1CCCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC001360052355 1064880869 /nfs/dbraw/zinc/88/08/69/1064880869.db2.gz SUPOFTFRLZKVDD-QGZVFWFLSA-N 0 0 459.534 4.964 20 5 JJBDRN COc1cc(C(=O)NCCOc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435639517 1064900316 /nfs/dbraw/zinc/90/03/16/1064900316.db2.gz LGVVINCXALBMSZ-UHFFFAOYSA-N 0 0 456.882 4.645 20 5 JJBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001360067782 1064913006 /nfs/dbraw/zinc/91/30/06/1064913006.db2.gz BJMDNGDZSHJJQS-UHFFFAOYSA-N 0 0 454.708 4.502 20 5 JJBDRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001435659401 1064914144 /nfs/dbraw/zinc/91/41/44/1064914144.db2.gz OWUIMYOMMIHDFP-CHWSQXEVSA-N 0 0 459.549 4.673 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001435690217 1064935900 /nfs/dbraw/zinc/93/59/00/1064935900.db2.gz AJOMUFDXNJBNPX-RBZFPXEDSA-N 0 0 457.826 4.652 20 5 JJBDRN CN(C)C(=O)Nc1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001435692626 1064939429 /nfs/dbraw/zinc/93/94/29/1064939429.db2.gz YJBDNZNQKONVLC-HXUWFJFHSA-N 0 0 454.870 4.683 20 5 JJBDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001435696813 1064943509 /nfs/dbraw/zinc/94/35/09/1064943509.db2.gz HSXDYMKCJMLOAN-UHFFFAOYSA-N 0 0 453.886 4.806 20 5 JJBDRN CC(C)c1c(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001435763661 1064981305 /nfs/dbraw/zinc/98/13/05/1064981305.db2.gz HYSBUJQVIMNCPU-UHFFFAOYSA-N 0 0 459.428 4.911 20 5 JJBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCc2ccc(Cl)cc2C1 ZINC001435777153 1064987308 /nfs/dbraw/zinc/98/73/08/1064987308.db2.gz FAGLUUHYEKFCKX-UHFFFAOYSA-N 0 0 451.697 4.939 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)O[C@H](c2csc3ccccc32)C(F)(F)F)cc1[N+](=O)[O-] ZINC001435791449 1064992581 /nfs/dbraw/zinc/99/25/81/1064992581.db2.gz WXBHCTPURIXLFZ-MRXNPFEDSA-N 0 0 459.423 4.673 20 5 JJBDRN CSc1ccc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001435794512 1064994001 /nfs/dbraw/zinc/99/40/01/1064994001.db2.gz HNUGLESYRUKZGH-UHFFFAOYSA-N 0 0 452.414 4.712 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1 ZINC001360115892 1064999212 /nfs/dbraw/zinc/99/92/12/1064999212.db2.gz NIBJWIBPTWJIJD-XMMPIXPASA-N 0 0 478.578 4.633 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCCC1(C)C ZINC001360116075 1064999546 /nfs/dbraw/zinc/99/95/46/1064999546.db2.gz TURURYODPUFYMY-RUZDIDTESA-N 0 0 466.586 4.548 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccco1 ZINC001360116541 1065001151 /nfs/dbraw/zinc/00/11/51/1065001151.db2.gz IIFOEDVQFQJELD-XMMPIXPASA-N 0 0 481.578 4.754 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCCCO1 ZINC001360116713 1065001834 /nfs/dbraw/zinc/00/18/34/1065001834.db2.gz NXNZNFNQSCTINC-QHCPKHFHSA-N 0 0 464.570 4.546 20 5 JJBDRN CC(=O)N[C@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1F ZINC001360117280 1065002850 /nfs/dbraw/zinc/00/28/50/1065002850.db2.gz HHMUAEGRPFDTKD-JOCHJYFZSA-N 0 0 455.417 4.871 20 5 JJBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001435809249 1065003453 /nfs/dbraw/zinc/00/34/53/1065003453.db2.gz KYSQSJGXUDVQKN-CYBMUJFWSA-N 0 0 453.720 4.942 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1OC ZINC001435814024 1065005713 /nfs/dbraw/zinc/00/57/13/1065005713.db2.gz MJCKSKXCLLQFCN-UHFFFAOYSA-N 0 0 454.454 4.650 20 5 JJBDRN CC(C)N(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360121405 1065009770 /nfs/dbraw/zinc/00/97/70/1065009770.db2.gz SFBYAOKWUZHSFY-UHFFFAOYSA-N 0 0 496.637 4.978 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 ZINC001360130991 1065026166 /nfs/dbraw/zinc/02/61/66/1065026166.db2.gz HSCRBSQKBCEURG-UEXGIBASSA-N 0 0 454.546 4.615 20 5 JJBDRN Cc1c(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001435863062 1065030486 /nfs/dbraw/zinc/03/04/86/1065030486.db2.gz JDMQHVCBMALSTC-CQSZACIVSA-N 0 0 451.279 4.864 20 5 JJBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001435890013 1065046920 /nfs/dbraw/zinc/04/69/20/1065046920.db2.gz RFECVTJGYZTBGT-UHFFFAOYSA-N 0 0 451.426 4.888 20 5 JJBDRN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001435901037 1065053301 /nfs/dbraw/zinc/05/33/01/1065053301.db2.gz HAUVSCIUUMJEMR-CQSZACIVSA-N 0 0 453.326 4.699 20 5 JJBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1cnc(OCc2ccccc2)cn1 ZINC001435925300 1065066589 /nfs/dbraw/zinc/06/65/89/1065066589.db2.gz QSUOMZLMODNRSC-UHFFFAOYSA-N 0 0 456.458 4.795 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)NCCOc3ccc(F)c(F)c3)cc2[N+](=O)[O-])n1 ZINC001360179206 1065067958 /nfs/dbraw/zinc/06/79/58/1065067958.db2.gz AEHQSXBRFUQAHL-UHFFFAOYSA-N 0 0 451.476 4.598 20 5 JJBDRN C[C@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c2cccc(F)c2O1 ZINC001435937301 1065072238 /nfs/dbraw/zinc/07/22/38/1065072238.db2.gz OSWWTOSNLSXKIH-JTQLQIEISA-N 0 0 451.241 4.654 20 5 JJBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001360188233 1065072706 /nfs/dbraw/zinc/07/27/06/1065072706.db2.gz PCNNYEYDWYYPRM-SFHVURJKSA-N 0 0 457.399 4.801 20 5 JJBDRN Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 ZINC001360190444 1065074710 /nfs/dbraw/zinc/07/47/10/1065074710.db2.gz XUNJIVLVXIWBQB-JTQLQIEISA-N 0 0 454.339 4.994 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC)c2cc(F)cc(Br)c2)cc1OC ZINC001435943430 1065075343 /nfs/dbraw/zinc/07/53/43/1065075343.db2.gz RPXHMAJJWNVVHA-OAHLLOKOSA-N 0 0 455.280 4.785 20 5 JJBDRN Cn1cc([C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC001435959226 1065082659 /nfs/dbraw/zinc/08/26/59/1065082659.db2.gz WWJQUVRTGAYEJG-DEOSSOPVSA-N 0 0 459.481 4.599 20 5 JJBDRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001360220976 1065086501 /nfs/dbraw/zinc/08/65/01/1065086501.db2.gz ZNGHGRBSLQKHKO-UHFFFAOYSA-N 0 0 450.539 4.653 20 5 JJBDRN COc1cc(OCC(=O)N[C@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC001360224337 1065087635 /nfs/dbraw/zinc/08/76/35/1065087635.db2.gz AJTSXMDEFISNTC-HSZRJFAPSA-N 0 0 458.873 4.989 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC001435992924 1065097237 /nfs/dbraw/zinc/09/72/37/1065097237.db2.gz IADBMAPEDJQREH-UHFFFAOYSA-N 0 0 457.943 4.548 20 5 JJBDRN COC(=O)[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC001436004535 1065104263 /nfs/dbraw/zinc/10/42/63/1065104263.db2.gz MKXRAKBGJMVBMI-IBGZPJMESA-N 0 0 459.911 4.566 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001360280017 1065121502 /nfs/dbraw/zinc/12/15/02/1065121502.db2.gz JRXJFMQZLTVIFP-GOSISDBHSA-N 0 0 452.985 4.807 20 5 JJBDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001436067766 1065157429 /nfs/dbraw/zinc/15/74/29/1065157429.db2.gz GVEOIMKNNAATCS-ZWKOTPCHSA-N 0 0 451.420 4.641 20 5 JJBDRN CSc1ccc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC001436089883 1065173493 /nfs/dbraw/zinc/17/34/93/1065173493.db2.gz YLYWOZQVIJJFGL-UHFFFAOYSA-N 0 0 451.335 4.782 20 5 JJBDRN Cc1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc(Br)cc1[N+](=O)[O-] ZINC001436100380 1065179843 /nfs/dbraw/zinc/17/98/43/1065179843.db2.gz JLFZYEPONKGDEF-UHFFFAOYSA-N 0 0 459.050 4.589 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc([N+](=O)[O-])ccc1Br ZINC001436109781 1065184979 /nfs/dbraw/zinc/18/49/79/1065184979.db2.gz LWGTZZZZTHJAGJ-LLVKDONJSA-N 0 0 459.127 4.673 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(c2cccc(F)c2F)CC1 ZINC001436120534 1065193555 /nfs/dbraw/zinc/19/35/55/1065193555.db2.gz OUUVAQTXAAXILK-UHFFFAOYSA-N 0 0 455.486 4.987 20 5 JJBDRN CCOc1cc(N2CCN(C(=O)c3oc4ccccc4c3CSC)CC2)ccc1[N+](=O)[O-] ZINC001436122389 1065196436 /nfs/dbraw/zinc/19/64/36/1065196436.db2.gz HLFDRBKEBTWNLD-UHFFFAOYSA-N 0 0 455.536 4.565 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C(C)(C)C)C2)cn1 ZINC001360354816 1065204500 /nfs/dbraw/zinc/20/45/00/1065204500.db2.gz XRNPHGIZYKSRFY-FQEVSTJZSA-N 0 0 464.570 4.956 20 5 JJBDRN CC(C)C[C@@](C)(NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(Br)c1 ZINC001436138078 1065208773 /nfs/dbraw/zinc/20/87/73/1065208773.db2.gz MGGQULOZUNXBEA-HXUWFJFHSA-N 0 0 453.308 4.953 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC001360358219 1065210586 /nfs/dbraw/zinc/21/05/86/1065210586.db2.gz ARMDONDZEXKQAX-UHFFFAOYSA-N 0 0 456.300 4.513 20 5 JJBDRN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001360362683 1065218438 /nfs/dbraw/zinc/21/84/38/1065218438.db2.gz HPXTZPQAQBDQAL-UHFFFAOYSA-N 0 0 453.655 4.647 20 5 JJBDRN CC(C)OC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2cccs2)CCO1 ZINC001360370673 1065230006 /nfs/dbraw/zinc/23/00/06/1065230006.db2.gz PTJNHQBCGLBNBS-FQEVSTJZSA-N 0 0 485.610 4.523 20 5 JJBDRN CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] ZINC001436190387 1065240358 /nfs/dbraw/zinc/24/03/58/1065240358.db2.gz GHWFIWNJVZSZDL-UHFFFAOYSA-N 0 0 457.836 4.628 20 5 JJBDRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001436200941 1065247257 /nfs/dbraw/zinc/24/72/57/1065247257.db2.gz OWYAZBDXBMTCBU-CABCVRRESA-N 0 0 450.398 4.754 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1Cl ZINC001436217060 1065258657 /nfs/dbraw/zinc/25/86/57/1065258657.db2.gz HSMMXUGFDPDJNG-UHFFFAOYSA-N 0 0 452.736 4.536 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1nc2c(cccc2Cl)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001436218554 1065259768 /nfs/dbraw/zinc/25/97/68/1065259768.db2.gz VWPKQGBEYVHATO-NRFANRHFSA-N 0 0 459.890 4.503 20 5 JJBDRN O=C(Oc1cnc2ccc(Cl)cc2c1)c1cc(I)cc([N+](=O)[O-])c1 ZINC001436226993 1065265800 /nfs/dbraw/zinc/26/58/00/1065265800.db2.gz BRXVKUUYHQSGEO-UHFFFAOYSA-N 0 0 454.607 4.620 20 5 JJBDRN Cc1ccccc1[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC001360405048 1065268171 /nfs/dbraw/zinc/26/81/71/1065268171.db2.gz GPUFBHPUBVVHHN-FOIQADDNSA-N 0 0 451.445 4.713 20 5 JJBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC001436248107 1065274694 /nfs/dbraw/zinc/27/46/94/1065274694.db2.gz SWAQDKQBHQGDQA-UHFFFAOYSA-N 0 0 452.268 4.558 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001360412083 1065275310 /nfs/dbraw/zinc/27/53/10/1065275310.db2.gz UABYJDPIHOPHPB-AWEZNQCLSA-N 0 0 459.877 4.754 20 5 JJBDRN CC(C)SCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001360416575 1065279020 /nfs/dbraw/zinc/27/90/20/1065279020.db2.gz DPUFOUYNIOANKF-SFHVURJKSA-N 0 0 485.614 4.885 20 5 JJBDRN Cn1cc(C(=O)Nc2cccc3c(Br)ccnc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436269577 1065281732 /nfs/dbraw/zinc/28/17/32/1065281732.db2.gz JLEZNHGKSIQAAR-UHFFFAOYSA-N 0 0 452.268 4.558 20 5 JJBDRN C[C@]1(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1(Cl)Cl ZINC001436274761 1065284220 /nfs/dbraw/zinc/28/42/20/1065284220.db2.gz VHKKIKOFOVLOTN-HNNXBMFYSA-N 0 0 452.125 4.791 20 5 JJBDRN CC(C)SCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001360419759 1065284541 /nfs/dbraw/zinc/28/45/41/1065284541.db2.gz IJAYKZGXSNHFFR-NRFANRHFSA-N 0 0 475.615 4.617 20 5 JJBDRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001436309279 1065293839 /nfs/dbraw/zinc/29/38/39/1065293839.db2.gz ZOTHBQNFTJZNII-NRSPTQNISA-N 0 0 455.511 4.564 20 5 JJBDRN O=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001436347736 1065300863 /nfs/dbraw/zinc/30/08/63/1065300863.db2.gz WZIIXWHNNKSCNC-UHFFFAOYSA-N 0 0 457.958 4.717 20 5 JJBDRN Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C1CCCCC1 ZINC001436353998 1065301454 /nfs/dbraw/zinc/30/14/54/1065301454.db2.gz FLOIBCJHOGQPHL-IBGZPJMESA-N 0 0 456.568 4.959 20 5 JJBDRN Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 ZINC001436394255 1065308363 /nfs/dbraw/zinc/30/83/63/1065308363.db2.gz CFJQZGQWLJWDAG-UHFFFAOYSA-N 0 0 456.442 4.891 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC001436428322 1065316593 /nfs/dbraw/zinc/31/65/93/1065316593.db2.gz NPWDUHZWOQKXTL-YWZLYKJASA-N 0 0 459.543 4.718 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC001436508482 1065338302 /nfs/dbraw/zinc/33/83/02/1065338302.db2.gz LQTYQHVKMDXERC-UHFFFAOYSA-N 0 0 454.845 4.803 20 5 JJBDRN O=C(Nc1nccc2cc(Br)ccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC001436536403 1065349283 /nfs/dbraw/zinc/34/92/83/1065349283.db2.gz YYJDXPMIGCYPJH-UHFFFAOYSA-N 0 0 457.103 4.982 20 5 JJBDRN COC[C@]1(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC001436556473 1065360770 /nfs/dbraw/zinc/36/07/70/1065360770.db2.gz GAUUWMQTILNHCX-DEOSSOPVSA-N 0 0 458.580 4.577 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)N2CCCc3cc(Cl)cc(Br)c32)cc1[N+](=O)[O-] ZINC001436637164 1065410587 /nfs/dbraw/zinc/41/05/87/1065410587.db2.gz ZHRWSZSVEZBJME-UHFFFAOYSA-N 0 0 456.699 4.809 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001436640022 1065412244 /nfs/dbraw/zinc/41/22/44/1065412244.db2.gz ZFWIVEQURONUGB-UHFFFAOYSA-N 0 0 455.511 4.970 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502482 1065428335 /nfs/dbraw/zinc/42/83/35/1065428335.db2.gz VIYRIYFQKJBBSY-DEOSSOPVSA-N 0 0 459.481 4.956 20 5 JJBDRN C[C@H](Cc1cccs1)Cn1c([C@H]2CCCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001360502723 1065428995 /nfs/dbraw/zinc/42/89/95/1065428995.db2.gz BHHUBSJLDPDXPQ-DYESRHJHSA-N 0 0 455.584 4.657 20 5 JJBDRN Cc1cc(Cl)c(C(=O)Nc2c(F)cc(I)cc2F)cc1[N+](=O)[O-] ZINC001436742060 1065434853 /nfs/dbraw/zinc/43/48/53/1065434853.db2.gz XKKGEYBBYGTKLD-UHFFFAOYSA-N 0 0 452.582 4.692 20 5 JJBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001436770271 1065438347 /nfs/dbraw/zinc/43/83/47/1065438347.db2.gz JRQNLDUFUIQTPC-UHFFFAOYSA-N 0 0 454.455 4.787 20 5 JJBDRN COc1cc2c(c(OC)c1)N(C(=O)c1ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)CCC2 ZINC001436781900 1065439881 /nfs/dbraw/zinc/43/98/81/1065439881.db2.gz GKIJXHQMIHYUEF-IRXDYDNUSA-N 0 0 453.539 4.687 20 5 JJBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(Cl)cc(Br)c1 ZINC001436794386 1065441664 /nfs/dbraw/zinc/44/16/64/1065441664.db2.gz YEKLSZODDOWUDA-UHFFFAOYSA-N 0 0 455.739 4.887 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(C(=O)OC)c1C ZINC001436876353 1065461565 /nfs/dbraw/zinc/46/15/65/1065461565.db2.gz GTPFKVRWJVSQQJ-UHFFFAOYSA-N 0 0 453.314 4.817 20 5 JJBDRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001436904774 1065467785 /nfs/dbraw/zinc/46/77/85/1065467785.db2.gz QVKBCONXQBDERY-IEBWSBKVSA-N 0 0 454.523 4.756 20 5 JJBDRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001436911804 1065469659 /nfs/dbraw/zinc/46/96/59/1065469659.db2.gz NHLDAYJYQBGPMT-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN C[C@@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccc(Cl)cn1)c1nccs1 ZINC001360519185 1065484318 /nfs/dbraw/zinc/48/43/18/1065484318.db2.gz IEYNNZWPMVLTSS-HNNXBMFYSA-N 0 0 499.984 4.677 20 5 JJBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001437043269 1065501547 /nfs/dbraw/zinc/50/15/47/1065501547.db2.gz BBZFTCQRPDSEDQ-UHFFFAOYSA-N 0 0 458.297 4.538 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001437068564 1065505700 /nfs/dbraw/zinc/50/57/00/1065505700.db2.gz HPUMJLKVOMHHEF-CVEARBPZSA-N 0 0 454.552 4.666 20 5 JJBDRN CC[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC001360529086 1065508315 /nfs/dbraw/zinc/50/83/15/1065508315.db2.gz UMBYTLYJNHIUDU-LBPRGKRZSA-N 0 0 457.271 4.957 20 5 JJBDRN CC[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC001360529085 1065508353 /nfs/dbraw/zinc/50/83/53/1065508353.db2.gz UMBYTLYJNHIUDU-GFCCVEGCSA-N 0 0 457.271 4.957 20 5 JJBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437144306 1065513945 /nfs/dbraw/zinc/51/39/45/1065513945.db2.gz OMKYHVWCOPUBMC-OUAUKWLOSA-N 0 0 461.378 4.541 20 5 JJBDRN C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1nccs1 ZINC001360536811 1065520014 /nfs/dbraw/zinc/52/00/14/1065520014.db2.gz RJOIGQUDVRSKLQ-LPHOPBHVSA-N 0 0 470.599 4.897 20 5 JJBDRN C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1nccs1 ZINC001360536813 1065520214 /nfs/dbraw/zinc/52/02/14/1065520214.db2.gz RJOIGQUDVRSKLQ-VQIMIIECSA-N 0 0 470.599 4.897 20 5 JJBDRN COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C[C@H]1C1CC1 ZINC001437219108 1065521354 /nfs/dbraw/zinc/52/13/54/1065521354.db2.gz LUYSAASWLQQKJY-RBUKOAKNSA-N 0 0 460.939 4.671 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1ncc(Br)cc1Cl ZINC001437258288 1065526254 /nfs/dbraw/zinc/52/62/54/1065526254.db2.gz ZXOKYUGNZRLCQN-UHFFFAOYSA-N 0 0 452.113 4.895 20 5 JJBDRN O=C(Nc1ccccc1Sc1ncccn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001437314270 1065536190 /nfs/dbraw/zinc/53/61/90/1065536190.db2.gz LVDKDGAZNJUGAV-UHFFFAOYSA-N 0 0 450.398 4.729 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001360552074 1065543424 /nfs/dbraw/zinc/54/34/24/1065543424.db2.gz IDNSBPLVSGVKLQ-LJQANCHMSA-N 0 0 450.882 4.527 20 5 JJBDRN O=C(Oc1ccc(NC(=O)C2CCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001360561555 1065552157 /nfs/dbraw/zinc/55/21/57/1065552157.db2.gz GWCAOJRYXBMCIB-UHFFFAOYSA-N 0 0 452.442 4.658 20 5 JJBDRN Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 ZINC001360566227 1065556642 /nfs/dbraw/zinc/55/66/42/1065556642.db2.gz FWBDRYLHXNQLGS-RUZDIDTESA-N 0 0 457.530 4.800 20 5 JJBDRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001437526186 1065567071 /nfs/dbraw/zinc/56/70/71/1065567071.db2.gz KWICQEFEAVAFTN-DEOSSOPVSA-N 0 0 456.502 4.618 20 5 JJBDRN CN1C(=O)C[C@@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001437529704 1065568123 /nfs/dbraw/zinc/56/81/23/1065568123.db2.gz XTSZDDRITZCJJX-KUHUBIRLSA-N 0 0 459.289 4.608 20 5 JJBDRN O=C(N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001437548110 1065570803 /nfs/dbraw/zinc/57/08/03/1065570803.db2.gz VDBMTVABXYOXRL-IBGZPJMESA-N 0 0 453.720 4.532 20 5 JJBDRN COc1cc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC001360581050 1065578371 /nfs/dbraw/zinc/57/83/71/1065578371.db2.gz PDNILEXTTYWKHE-UHFFFAOYSA-N 0 0 452.511 4.721 20 5 JJBDRN CC(C)[C@@H](OC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)c1ccc2c(c1)CCCC2 ZINC001437580201 1065580784 /nfs/dbraw/zinc/58/07/84/1065580784.db2.gz DRINBNRSJUBCON-JOCHJYFZSA-N 0 0 458.461 4.853 20 5 JJBDRN CCc1cc(Br)c(C)nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001437608734 1065584904 /nfs/dbraw/zinc/58/49/04/1065584904.db2.gz WWSQSEGTDSXYGY-UHFFFAOYSA-N 0 0 457.122 4.567 20 5 JJBDRN COC(=O)c1ccc(F)c2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)CC2 ZINC001437736340 1065596842 /nfs/dbraw/zinc/59/68/42/1065596842.db2.gz IBGYZYCWNWKNHR-UHFFFAOYSA-N 0 0 458.511 4.754 20 5 JJBDRN O=C(NCCc1cccc2c1OC(F)(F)O2)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001437822127 1065615719 /nfs/dbraw/zinc/61/57/19/1065615719.db2.gz CYWNSXPGJXFJID-UHFFFAOYSA-N 0 0 450.463 4.924 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001437881149 1065624318 /nfs/dbraw/zinc/62/43/18/1065624318.db2.gz YOWNMJRQBYLBGC-SFHVURJKSA-N 0 0 450.413 4.695 20 5 JJBDRN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C(C)(C)C)cc1 ZINC001437929546 1065631948 /nfs/dbraw/zinc/63/19/48/1065631948.db2.gz IIZPUKUOGFXEKV-UHFFFAOYSA-N 0 0 452.292 4.949 20 5 JJBDRN CCNc1ccc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC001437959632 1065636397 /nfs/dbraw/zinc/63/63/97/1065636397.db2.gz AVSLDHNPXPKECJ-INIZCTEOSA-N 0 0 450.358 4.796 20 5 JJBDRN O=C(N[C@@H]1CSc2ccccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001360627133 1065673147 /nfs/dbraw/zinc/67/31/47/1065673147.db2.gz BRQMVKXSTIGCAS-MRXNPFEDSA-N 0 0 451.470 4.793 20 5 JJBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001438149703 1065680722 /nfs/dbraw/zinc/68/07/22/1065680722.db2.gz YPDRFMXKJBJTQP-BJOHPYRUSA-N 0 0 453.339 4.921 20 5 JJBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001438149709 1065680742 /nfs/dbraw/zinc/68/07/42/1065680742.db2.gz YPDRFMXKJBJTQP-VFZGTOFNSA-N 0 0 453.339 4.921 20 5 JJBDRN O=C(Nc1cc(F)c(Cl)cc1I)c1cccc(Cl)c1[N+](=O)[O-] ZINC001438165811 1065684209 /nfs/dbraw/zinc/68/42/09/1065684209.db2.gz LKUUKWUGHVAPAQ-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC001438361347 1065715933 /nfs/dbraw/zinc/71/59/33/1065715933.db2.gz XCOZMDPXIHVHNM-ACJLOTCBSA-N 0 0 451.292 4.937 20 5 JJBDRN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(Br)ccc2o1 ZINC001438458913 1065722432 /nfs/dbraw/zinc/72/24/32/1065722432.db2.gz WSWMWGUXVHAPJO-UHFFFAOYSA-N 0 0 459.281 4.899 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001360649492 1065724778 /nfs/dbraw/zinc/72/47/78/1065724778.db2.gz JVSHEPSETCSIAQ-GOSISDBHSA-N 0 0 457.552 4.875 20 5 JJBDRN O=C(Nc1[nH]nc2cnc(Br)cc21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001438515251 1065727867 /nfs/dbraw/zinc/72/78/67/1065727867.db2.gz QENBMRFLLFDTFK-UHFFFAOYSA-N 0 0 454.240 4.673 20 5 JJBDRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001360720959 1065746852 /nfs/dbraw/zinc/74/68/52/1065746852.db2.gz FXBWOOHFCIXHJI-UHFFFAOYSA-N 0 0 451.273 4.574 20 5 JJBDRN O=C(Nc1csnc1-c1ccccc1)c1ccc(I)c([N+](=O)[O-])c1 ZINC001360730495 1065757725 /nfs/dbraw/zinc/75/77/25/1065757725.db2.gz KRMWRMWYAHLOAJ-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc2cc(Br)ccc2o1 ZINC001438971009 1065773066 /nfs/dbraw/zinc/77/30/66/1065773066.db2.gz ZWPXKCSJMHFCGC-SNVBAGLBSA-N 0 0 453.676 4.841 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)NCCn3ccc(C(F)(F)F)n3)cc2[N+](=O)[O-])cc1 ZINC001439026629 1065778585 /nfs/dbraw/zinc/77/85/85/1065778585.db2.gz VEVHHYRHKNCOPB-UHFFFAOYSA-N 0 0 450.442 4.700 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001439397053 1065823692 /nfs/dbraw/zinc/82/36/92/1065823692.db2.gz CGOFHPXBUCMSMI-AWEZNQCLSA-N 0 0 459.222 4.534 20 5 JJBDRN CC1(C)C[C@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)O1 ZINC001439628379 1065849804 /nfs/dbraw/zinc/84/98/04/1065849804.db2.gz REGRWQOUFWHPBD-MRXNPFEDSA-N 0 0 457.493 4.540 20 5 JJBDRN Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2SC(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC001360766558 1065853409 /nfs/dbraw/zinc/85/34/09/1065853409.db2.gz XGHFVNWJIRGDEZ-UHFFFAOYSA-N 0 0 458.927 4.855 20 5 JJBDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C(C)(C)C1 ZINC001439703615 1065861877 /nfs/dbraw/zinc/86/18/77/1065861877.db2.gz TVVMFLLVMGLMGB-FQEVSTJZSA-N 0 0 455.511 4.762 20 5 JJBDRN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C(C)(C)C1 ZINC001439703620 1065862030 /nfs/dbraw/zinc/86/20/30/1065862030.db2.gz TVVMFLLVMGLMGB-HXUWFJFHSA-N 0 0 455.511 4.762 20 5 JJBDRN COc1cc(Br)cc2sc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC001440041588 1065905688 /nfs/dbraw/zinc/90/56/88/1065905688.db2.gz DBPZZNHEKIHBLE-MRVPVSSYSA-N 0 0 454.277 4.857 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1csc(Cc2ccc(F)cc2)n1 ZINC001360804560 1065915811 /nfs/dbraw/zinc/91/58/11/1065915811.db2.gz UIMNBYPAOGFEKV-UHFFFAOYSA-N 0 0 451.273 4.901 20 5 JJBDRN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001440151517 1065917581 /nfs/dbraw/zinc/91/75/81/1065917581.db2.gz XBBKQKFJGSNPOR-NSHDSACASA-N 0 0 452.374 4.909 20 5 JJBDRN CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc21 ZINC001360810688 1065923770 /nfs/dbraw/zinc/92/37/70/1065923770.db2.gz VIZFBRFJRIFQGI-UHFFFAOYSA-N 0 0 459.506 4.551 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cc(C2(C)CCCC2)on1)c1cccc([N+](=O)[O-])c1 ZINC001440297444 1065929215 /nfs/dbraw/zinc/92/92/15/1065929215.db2.gz WZXXMGZLQKGKCL-HSZRJFAPSA-N 0 0 458.515 4.793 20 5 JJBDRN O=C([C@H](Sc1ccc(F)cc1)c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440344769 1065931927 /nfs/dbraw/zinc/93/19/27/1065931927.db2.gz UJGPBGJILZUUBE-HSZRJFAPSA-N 0 0 451.523 4.916 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc2[N+](=O)[O-])C1 ZINC001440366072 1065933015 /nfs/dbraw/zinc/93/30/15/1065933015.db2.gz BYLCVBSHIUPRBE-QZMQVMSPSA-N 0 0 458.990 4.763 20 5 JJBDRN COc1ccc2cc([C@@H](C)OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 ZINC001360820060 1065933074 /nfs/dbraw/zinc/93/30/74/1065933074.db2.gz PXJKBHXHRSJVGG-KUHUBIRLSA-N 0 0 454.504 4.727 20 5 JJBDRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440633694 1065956051 /nfs/dbraw/zinc/95/60/51/1065956051.db2.gz BOGNXFMHDIGJDZ-AWEZNQCLSA-N 0 0 453.461 4.907 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1COc2ccccc2O1 ZINC001360849455 1065959412 /nfs/dbraw/zinc/95/94/12/1065959412.db2.gz FBXWBPJGDIWBBE-OAQYLSRUSA-N 0 0 458.829 4.636 20 5 JJBDRN CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNc2ccccn2)CC1 ZINC001360851096 1065963185 /nfs/dbraw/zinc/96/31/85/1065963185.db2.gz AOTVDXCTXGJMLR-UHFFFAOYSA-N 0 0 498.385 4.630 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440731086 1065971227 /nfs/dbraw/zinc/97/12/27/1065971227.db2.gz AUOLNHPXJAHMJS-AUUYWEPGSA-N 0 0 452.338 4.622 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCN1c2ccccc2Sc2ccccc21 ZINC001440820186 1065981256 /nfs/dbraw/zinc/98/12/56/1065981256.db2.gz VCYYGLZDEYVPLN-UHFFFAOYSA-N 0 0 453.495 4.922 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC001440881870 1065988708 /nfs/dbraw/zinc/98/87/08/1065988708.db2.gz PKCCRYVTXSUUCM-UHFFFAOYSA-N 0 0 456.442 4.541 20 5 JJBDRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001441018109 1066001373 /nfs/dbraw/zinc/00/13/73/1066001373.db2.gz LRSUNOPHIPJPTI-UHFFFAOYSA-N 0 0 450.200 4.631 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC001441116597 1066008742 /nfs/dbraw/zinc/00/87/42/1066008742.db2.gz KVBPGBDFLKYEFJ-UHFFFAOYSA-N 0 0 455.873 4.614 20 5 JJBDRN Cc1nc(CCn2c(CC(C)(C)C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC001360898733 1066051463 /nfs/dbraw/zinc/05/14/63/1066051463.db2.gz AYBYEXDYVCFSGK-UHFFFAOYSA-N 0 0 456.616 4.770 20 5 JJBDRN Cc1ccc2c(CC(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)coc2c1 ZINC001441731210 1066064920 /nfs/dbraw/zinc/06/49/20/1066064920.db2.gz AIFSETXJEYAOIC-FQEVSTJZSA-N 0 0 450.491 4.820 20 5 JJBDRN C[C@@H](SCc1ccccc1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441741718 1066066408 /nfs/dbraw/zinc/06/64/08/1066066408.db2.gz WKMXKUXRXLTKHU-WIYYLYMNSA-N 0 0 456.564 4.845 20 5 JJBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001441918981 1066080906 /nfs/dbraw/zinc/08/09/06/1066080906.db2.gz VSMZHTNGAOZIGD-IBGZPJMESA-N 0 0 457.918 4.698 20 5 JJBDRN CCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001360927749 1066083933 /nfs/dbraw/zinc/08/39/33/1066083933.db2.gz LQVMQXSKHPEZEY-QFIPXVFZSA-N 0 0 455.417 4.639 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1Cl ZINC001442146174 1066097777 /nfs/dbraw/zinc/09/77/77/1066097777.db2.gz CQLDVHYMVRRIIL-ZDUSSCGKSA-N 0 0 452.736 4.575 20 5 JJBDRN Cc1ccsc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001360959884 1066117608 /nfs/dbraw/zinc/11/76/08/1066117608.db2.gz SKBJXKNCXHOSIF-UHFFFAOYSA-N 0 0 498.609 4.765 20 5 JJBDRN Cc1ccsc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001360959780 1066117648 /nfs/dbraw/zinc/11/76/48/1066117648.db2.gz PGDLATYKBSKBBC-CZUORRHYSA-N 0 0 451.474 4.906 20 5 JJBDRN Cc1ccsc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001360959791 1066117692 /nfs/dbraw/zinc/11/76/92/1066117692.db2.gz PMPSHMUPLPERGM-SFHVURJKSA-N 0 0 496.637 4.649 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(c4cccc(F)c4)CCOCC3)cc2[N+](=O)[O-])C1 ZINC001360981991 1066140541 /nfs/dbraw/zinc/14/05/41/1066140541.db2.gz ZMHJZSVYZXDCEM-HDICACEKSA-N 0 0 455.530 4.652 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001442682349 1066151263 /nfs/dbraw/zinc/15/12/63/1066151263.db2.gz ZJRHIFCEDPRRJJ-LJQANCHMSA-N 0 0 456.564 4.653 20 5 JJBDRN O=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001442724393 1066155658 /nfs/dbraw/zinc/15/56/58/1066155658.db2.gz PXVBUGXICILFSS-UHFFFAOYSA-N 0 0 452.883 4.832 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001360987921 1066158760 /nfs/dbraw/zinc/15/87/60/1066158760.db2.gz ONLGYABLFRPDQF-FLPMJASOSA-N 0 0 453.539 4.706 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@@]2(c3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001360987922 1066158772 /nfs/dbraw/zinc/15/87/72/1066158772.db2.gz ONLGYABLFRPDQF-SZUKKWSHSA-N 0 0 453.539 4.706 20 5 JJBDRN COC(=O)CN(C(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1cccc(C)n1 ZINC001360988802 1066159080 /nfs/dbraw/zinc/15/90/80/1066159080.db2.gz QBMWIIJECUQBMD-UHFFFAOYSA-N 0 0 451.504 4.578 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1F ZINC001361032482 1066246249 /nfs/dbraw/zinc/24/62/49/1066246249.db2.gz BMPWQUFCOTWPJM-QFIPXVFZSA-N 0 0 456.857 4.986 20 5 JJBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361032693 1066246897 /nfs/dbraw/zinc/24/68/97/1066246897.db2.gz FJCWWZSPGREQRB-DEOSSOPVSA-N 0 0 452.894 4.858 20 5 JJBDRN O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001443213341 1066280780 /nfs/dbraw/zinc/28/07/80/1066280780.db2.gz GNGBYMQJZFHMJN-UHFFFAOYSA-N 0 0 459.384 4.583 20 5 JJBDRN Cc1ccccc1-n1ncc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c1C(F)(F)F ZINC001454443059 1066282912 /nfs/dbraw/zinc/28/29/12/1066282912.db2.gz YHTPHPHYHJWYQB-UHFFFAOYSA-N 0 0 456.783 4.830 20 5 JJBDRN C[C@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001454440265 1066283091 /nfs/dbraw/zinc/28/30/91/1066283091.db2.gz PWKWGFXHDQBWHN-UKRRQHHQSA-N 0 0 457.930 4.677 20 5 JJBDRN Nc1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc(Br)cc1[N+](=O)[O-] ZINC001443370675 1066302810 /nfs/dbraw/zinc/30/28/10/1066302810.db2.gz MYZBBFXKKPGKBO-UHFFFAOYSA-N 0 0 453.705 4.969 20 5 JJBDRN COc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001443389993 1066305667 /nfs/dbraw/zinc/30/56/67/1066305667.db2.gz HVEWYXGAZZCADC-UHFFFAOYSA-N 0 0 459.502 4.945 20 5 JJBDRN COc1cc(C(=O)N2CC(Oc3ccccc3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001443398369 1066305856 /nfs/dbraw/zinc/30/58/56/1066305856.db2.gz OCXIRMLHUCAFRP-UHFFFAOYSA-N 0 0 454.866 4.953 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC001454595120 1066306729 /nfs/dbraw/zinc/30/67/29/1066306729.db2.gz AAUJTIUQMPCVEZ-UHFFFAOYSA-N 0 0 452.414 4.848 20 5 JJBDRN CSc1cccc([C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2cc(F)ccc2F)c1 ZINC001361068847 1066308546 /nfs/dbraw/zinc/30/85/46/1066308546.db2.gz OJJPSDNONNPKNR-NRFANRHFSA-N 0 0 458.442 4.843 20 5 JJBDRN COc1ccc(C(=O)CNC(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001454649072 1066314366 /nfs/dbraw/zinc/31/43/66/1066314366.db2.gz ZOUGZSQHXLKJPB-UHFFFAOYSA-N 0 0 457.442 4.538 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1(c2c(F)cccc2F)CCCC1 ZINC001361086739 1066325058 /nfs/dbraw/zinc/32/50/58/1066325058.db2.gz SZSZQYCSRUODNI-UHFFFAOYSA-N 0 0 453.283 4.806 20 5 JJBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CCN1Cc1ccccc1 ZINC001443550225 1066328650 /nfs/dbraw/zinc/32/86/50/1066328650.db2.gz LAYQIZKYQFTPCW-UHFFFAOYSA-N 0 0 458.562 4.944 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001454822882 1066335153 /nfs/dbraw/zinc/33/51/53/1066335153.db2.gz RTGBIHDEEVXSJS-WKILWMFISA-N 0 0 457.552 4.779 20 5 JJBDRN CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001454879662 1066337283 /nfs/dbraw/zinc/33/72/83/1066337283.db2.gz OLKZGBJGTDBFRE-QGZVFWFLSA-N 0 0 450.413 4.600 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545960899 1066346151 /nfs/dbraw/zinc/34/61/51/1066346151.db2.gz LQUYTJKRTFZIER-POAQFYNOSA-N 0 0 472.590 4.781 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545961394 1066356513 /nfs/dbraw/zinc/35/65/13/1066356513.db2.gz UXURDSYNGSLHPC-ZIFCJYIRSA-N 0 0 472.590 4.639 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001545961391 1066356571 /nfs/dbraw/zinc/35/65/71/1066356571.db2.gz UXURDSYNGSLHPC-JENIJYKNSA-N 0 0 472.590 4.639 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001361132788 1066403318 /nfs/dbraw/zinc/40/33/18/1066403318.db2.gz VIXCMFCWWJYNFM-IBGZPJMESA-N 0 0 459.550 4.688 20 5 JJBDRN CO[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001361133454 1066403787 /nfs/dbraw/zinc/40/37/87/1066403787.db2.gz RMDZXWCATBASBL-QRQCRPRQSA-N 0 0 454.914 4.934 20 5 JJBDRN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001455586924 1066413216 /nfs/dbraw/zinc/41/32/16/1066413216.db2.gz VGFQPGGYWAXZMX-UHFFFAOYSA-N 0 0 451.539 4.980 20 5 JJBDRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455674282 1066422486 /nfs/dbraw/zinc/42/24/86/1066422486.db2.gz DEHXEKRUYSLIQE-SFHVURJKSA-N 0 0 458.518 4.578 20 5 JJBDRN Cn1ccc(-c2nc(CNC(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cs2)n1 ZINC001455768824 1066428970 /nfs/dbraw/zinc/42/89/70/1066428970.db2.gz HKSMQACUYXQQGU-UHFFFAOYSA-N 0 0 451.533 4.533 20 5 JJBDRN CC(C)OC(=O)C1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC001455916067 1066451250 /nfs/dbraw/zinc/45/12/50/1066451250.db2.gz OZWWMTNGDIFCDZ-UHFFFAOYSA-N 0 0 459.930 4.664 20 5 JJBDRN Nc1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc(Cl)n1 ZINC001444383057 1066455951 /nfs/dbraw/zinc/45/59/51/1066455951.db2.gz HHDKZKSBGKGURZ-UHFFFAOYSA-N 0 0 451.241 4.740 20 5 JJBDRN O=C(c1cc2ccc(F)cc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001455945419 1066456903 /nfs/dbraw/zinc/45/69/03/1066456903.db2.gz NKPNBSYNZRKSFF-UHFFFAOYSA-N 0 0 453.417 4.930 20 5 JJBDRN CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001444407534 1066459327 /nfs/dbraw/zinc/45/93/27/1066459327.db2.gz YMMHDWFAHIIKCV-UHFFFAOYSA-N 0 0 454.527 4.904 20 5 JJBDRN COC(=O)[C@@](C)(NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001455992106 1066469160 /nfs/dbraw/zinc/46/91/60/1066469160.db2.gz CZFFPTZOBYKHFT-DEOSSOPVSA-N 0 0 450.516 4.873 20 5 JJBDRN CC(C)(C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001456020666 1066477601 /nfs/dbraw/zinc/47/76/01/1066477601.db2.gz XDFBZEQVMAGTRJ-UHFFFAOYSA-N 0 0 456.861 4.951 20 5 JJBDRN COc1cc(C(=O)NCCOCc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001361178389 1066498789 /nfs/dbraw/zinc/49/87/89/1066498789.db2.gz COTGPWLJJKVKHZ-UHFFFAOYSA-N 0 0 456.882 4.996 20 5 JJBDRN CCN(CC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC001444770148 1066503279 /nfs/dbraw/zinc/50/32/79/1066503279.db2.gz QJVYNLUYIWFYLO-INIZCTEOSA-N 0 0 451.589 4.571 20 5 JJBDRN CN(C(=O)CSCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)C1CCCCC1 ZINC001361185748 1066509584 /nfs/dbraw/zinc/50/95/84/1066509584.db2.gz MUVFQKQWZZLZFV-UHFFFAOYSA-N 0 0 455.580 4.652 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 ZINC001361185724 1066509643 /nfs/dbraw/zinc/50/96/43/1066509643.db2.gz MFYYZDAOSRUXKQ-CHWSQXEVSA-N 0 0 456.490 4.525 20 5 JJBDRN CCCn1c2ccccc2n(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1=O ZINC001361185963 1066509713 /nfs/dbraw/zinc/50/97/13/1066509713.db2.gz OKSLCHNWLMWERK-UHFFFAOYSA-N 0 0 458.518 4.745 20 5 JJBDRN Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CCOc2ccc(Cl)cn2)o1 ZINC001361187494 1066511964 /nfs/dbraw/zinc/51/19/64/1066511964.db2.gz ULJQYTFIYZFHIX-UHFFFAOYSA-N 0 0 482.928 4.561 20 5 JJBDRN Cc1cccc(COc2ccc(NC(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)c(C)c2)c1 ZINC001456130724 1066517250 /nfs/dbraw/zinc/51/72/50/1066517250.db2.gz QPBDKMXSOQPMCX-UHFFFAOYSA-N 0 0 457.490 4.683 20 5 JJBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001361196747 1066524887 /nfs/dbraw/zinc/52/48/87/1066524887.db2.gz CLHMVEVPZBZSBR-HXUWFJFHSA-N 0 0 450.882 4.527 20 5 JJBDRN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001456164249 1066526603 /nfs/dbraw/zinc/52/66/03/1066526603.db2.gz QRTLRGKIWPLVDX-ZHRRBRCNSA-N 0 0 459.905 4.788 20 5 JJBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456196286 1066534656 /nfs/dbraw/zinc/53/46/56/1066534656.db2.gz QFBXLSCYUZOVLE-HOYKHHGWSA-N 0 0 451.567 4.529 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)cc2[N+](=O)[O-])n1 ZINC001445211232 1066545237 /nfs/dbraw/zinc/54/52/37/1066545237.db2.gz AXCMMHKJDJOQLX-UHFFFAOYSA-N 0 0 459.549 4.913 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC001456265100 1066549319 /nfs/dbraw/zinc/54/93/19/1066549319.db2.gz FSWXDIYJZNWDND-HNNXBMFYSA-N 0 0 457.552 4.976 20 5 JJBDRN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cc1ccc(Cl)cc1Cl ZINC001456300459 1066558417 /nfs/dbraw/zinc/55/84/17/1066558417.db2.gz FNWDKTPLSOTIRU-CQSZACIVSA-N 0 0 453.322 4.918 20 5 JJBDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001456326277 1066563343 /nfs/dbraw/zinc/56/33/43/1066563343.db2.gz CMQNYPXAESXWDB-CYBMUJFWSA-N 0 0 452.736 4.530 20 5 JJBDRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001456346065 1066566307 /nfs/dbraw/zinc/56/63/07/1066566307.db2.gz UYIMKDGHCURZSY-NRFANRHFSA-N 0 0 451.548 4.515 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456348250 1066566776 /nfs/dbraw/zinc/56/67/76/1066566776.db2.gz ABPKJQGNPLKERQ-DVOMOZLQSA-N 0 0 450.276 4.606 20 5 JJBDRN O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001456350809 1066567290 /nfs/dbraw/zinc/56/72/90/1066567290.db2.gz KLMMOTOUSADXKM-UHFFFAOYSA-N 0 0 450.882 4.997 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001445483916 1066576046 /nfs/dbraw/zinc/57/60/46/1066576046.db2.gz UKZMSIYJZJAYBM-UHFFFAOYSA-N 0 0 454.470 4.667 20 5 JJBDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001456395728 1066577514 /nfs/dbraw/zinc/57/75/14/1066577514.db2.gz PAMMCYRZWCLZIP-MHZLTWQESA-N 0 0 453.358 4.586 20 5 JJBDRN CC(C)c1nc([C@@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC001361237735 1066578687 /nfs/dbraw/zinc/57/86/87/1066578687.db2.gz PHGGFYIDCAUIEF-ZDUSSCGKSA-N 0 0 458.462 4.966 20 5 JJBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(-c2cccc(Br)c2)s1 ZINC001456406618 1066579836 /nfs/dbraw/zinc/57/98/36/1066579836.db2.gz AOHKICFAZWLYIH-UHFFFAOYSA-N 0 0 458.297 4.538 20 5 JJBDRN CC1CCC(Oc2cc(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])ccn2)CC1 ZINC001456475999 1066594155 /nfs/dbraw/zinc/59/41/55/1066594155.db2.gz IYYFJLGVPILSNO-UHFFFAOYSA-N 0 0 454.346 4.701 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC001445681952 1066602518 /nfs/dbraw/zinc/60/25/18/1066602518.db2.gz AECNSPQETOTLMY-HSZRJFAPSA-N 0 0 454.910 4.610 20 5 JJBDRN COc1cc(N[C@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC001445686991 1066603755 /nfs/dbraw/zinc/60/37/55/1066603755.db2.gz IHGKUGXYOZXYSX-ZDUSSCGKSA-N 0 0 454.310 4.636 20 5 JJBDRN COc1cccc(C(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2cccc(OC)c2)c1 ZINC001361265828 1066618111 /nfs/dbraw/zinc/61/81/11/1066618111.db2.gz ILIOADUJZNVHKI-UHFFFAOYSA-N 0 0 458.417 4.733 20 5 JJBDRN Cc1ccc(C[C@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC001456545075 1066621367 /nfs/dbraw/zinc/62/13/67/1066621367.db2.gz NBPODRGKERRURT-ZDUSSCGKSA-N 0 0 455.502 4.947 20 5 JJBDRN CC[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC001445827762 1066624369 /nfs/dbraw/zinc/62/43/69/1066624369.db2.gz ZVJBDPMHYOWINO-CVDCTZTESA-N 0 0 455.461 4.727 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(=O)c3cc4c(s3)CCCC4)cc2[N+](=O)[O-])C1 ZINC001456564814 1066626457 /nfs/dbraw/zinc/62/64/57/1066626457.db2.gz MQPOQYQZORBATQ-IYBDPMFKSA-N 0 0 455.580 4.630 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001456583979 1066633096 /nfs/dbraw/zinc/63/30/96/1066633096.db2.gz FRDKGLQBEDDVNI-QDKZLADNSA-N 0 0 451.523 4.646 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001456588368 1066634385 /nfs/dbraw/zinc/63/43/85/1066634385.db2.gz DXPBSUMCRDKDDJ-UHFFFAOYSA-N 0 0 458.224 4.685 20 5 JJBDRN CC(C)Oc1cc(Br)cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001361279246 1066636617 /nfs/dbraw/zinc/63/66/17/1066636617.db2.gz QZQJPCHPRKXEAG-UHFFFAOYSA-N 0 0 452.261 4.624 20 5 JJBDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001456602518 1066638792 /nfs/dbraw/zinc/63/87/92/1066638792.db2.gz OUWTYYNKWXSBRF-UHFFFAOYSA-N 0 0 459.300 4.917 20 5 JJBDRN CC[C@@H](c1ccncc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001456603614 1066639303 /nfs/dbraw/zinc/63/93/03/1066639303.db2.gz MYEXEAVJOHEPJN-SFHVURJKSA-N 0 0 450.461 4.835 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456604861 1066640055 /nfs/dbraw/zinc/64/00/55/1066640055.db2.gz VZQPMRHQDTVODA-DEOSSOPVSA-N 0 0 459.481 4.956 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCCSc1ccccc1Br ZINC001456604797 1066640169 /nfs/dbraw/zinc/64/01/69/1066640169.db2.gz UEFDOHXQDDITKH-UHFFFAOYSA-N 0 0 452.374 4.726 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456604872 1066640194 /nfs/dbraw/zinc/64/01/94/1066640194.db2.gz VZQPMRHQDTVODA-XMMPIXPASA-N 0 0 459.481 4.956 20 5 JJBDRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC001456615185 1066644098 /nfs/dbraw/zinc/64/40/98/1066644098.db2.gz LCMUQFPAXZIJEO-MRXNPFEDSA-N 0 0 451.552 4.878 20 5 JJBDRN Cc1c(Cl)ccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1I)CCC2 ZINC001456625999 1066649666 /nfs/dbraw/zinc/64/96/66/1066649666.db2.gz SLCBFRBEEMEMGQ-UHFFFAOYSA-N 0 0 456.667 4.754 20 5 JJBDRN Cc1ccc(NCCCNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001456629789 1066650848 /nfs/dbraw/zinc/65/08/48/1066650848.db2.gz VPAYYXVXCYNWHA-UHFFFAOYSA-N 0 0 451.445 4.743 20 5 JJBDRN CCOc1ccc(-c2nc(CC)c(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3)s2)cc1 ZINC001456639017 1066654797 /nfs/dbraw/zinc/65/47/97/1066654797.db2.gz HGJNXXVDXZWXBO-UHFFFAOYSA-N 0 0 455.492 4.718 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] ZINC001456760768 1066682620 /nfs/dbraw/zinc/68/26/20/1066682620.db2.gz NJRXQXQOPYVJRK-UHFFFAOYSA-N 0 0 455.942 4.600 20 5 JJBDRN O=C(Nc1ccnc(Oc2ccccc2Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001456804512 1066695310 /nfs/dbraw/zinc/69/53/10/1066695310.db2.gz RZJAXZKACAZJHY-UHFFFAOYSA-N 0 0 459.212 4.705 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492629863 1066701800 /nfs/dbraw/zinc/70/18/00/1066701800.db2.gz JGJMQAGOVVKPND-GFCCVEGCSA-N 0 0 454.478 4.811 20 5 JJBDRN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)(C)C ZINC001456866402 1066709723 /nfs/dbraw/zinc/70/97/23/1066709723.db2.gz MJBIWFHAPFZROE-DEOSSOPVSA-N 0 0 453.583 4.845 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446488357 1066710204 /nfs/dbraw/zinc/71/02/04/1066710204.db2.gz ROQKKFCICGMHCF-BEFAXECRSA-N 0 0 451.292 4.533 20 5 JJBDRN CSc1ccc(C(=O)N2CCOc3c(Cl)cc(Br)cc3C2)cc1[N+](=O)[O-] ZINC001456899632 1066717379 /nfs/dbraw/zinc/71/73/79/1066717379.db2.gz QLVNUBSLDWPFKJ-UHFFFAOYSA-N 0 0 457.733 4.767 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCSC(C)(C)C2)n1 ZINC001492637477 1066723428 /nfs/dbraw/zinc/72/34/28/1066723428.db2.gz RXCFYQKHFUOLHW-AWEZNQCLSA-N 0 0 458.613 4.754 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492637710 1066724550 /nfs/dbraw/zinc/72/45/50/1066724550.db2.gz XVFBWLWBVDGMMV-OAHLLOKOSA-N 0 0 470.599 4.816 20 5 JJBDRN O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001456962928 1066730842 /nfs/dbraw/zinc/73/08/42/1066730842.db2.gz VFDUKBLTQPYRIE-UHFFFAOYSA-N 0 0 450.882 4.625 20 5 JJBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001456988791 1066737040 /nfs/dbraw/zinc/73/70/40/1066737040.db2.gz UGGAJBYAKVYYCJ-OAHLLOKOSA-N 0 0 456.955 4.891 20 5 JJBDRN Cc1csc([C@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(F)(F)F)C2)n1 ZINC001492643047 1066737889 /nfs/dbraw/zinc/73/78/89/1066737889.db2.gz XZEUCSBNFYPTCB-AWEZNQCLSA-N 0 0 452.462 4.565 20 5 JJBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC001457018379 1066743967 /nfs/dbraw/zinc/74/39/67/1066743967.db2.gz UQIRMHQDOSRQHE-ACJLOTCBSA-N 0 0 450.333 4.695 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1(c2cccc(F)c2)CCOCC1 ZINC001457020649 1066745476 /nfs/dbraw/zinc/74/54/76/1066745476.db2.gz SPYIHIYCDIQBDE-UHFFFAOYSA-N 0 0 458.433 4.667 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1F ZINC001457132833 1066769163 /nfs/dbraw/zinc/76/91/63/1066769163.db2.gz IFRPBQWDHKOHFD-UHFFFAOYSA-N 0 0 455.792 4.771 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001447122117 1066776855 /nfs/dbraw/zinc/77/68/55/1066776855.db2.gz FZUJZEFTYHPWDS-HXUWFJFHSA-N 0 0 450.926 4.869 20 5 JJBDRN O=C(CC1(CNC(=O)OCc2ccccc2)CCCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001457168715 1066778689 /nfs/dbraw/zinc/77/86/89/1066778689.db2.gz WYFSOFDHIJSHLR-UHFFFAOYSA-N 0 0 451.523 4.704 20 5 JJBDRN C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC001457181805 1066781323 /nfs/dbraw/zinc/78/13/23/1066781323.db2.gz AQRREMIICUFIIP-JTQLQIEISA-N 0 0 457.792 4.994 20 5 JJBDRN O=C(Nc1ccccc1C(=O)N1CCc2cccc(F)c2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001447194126 1066781357 /nfs/dbraw/zinc/78/13/57/1066781357.db2.gz JQOBGCOIYXHLLR-UHFFFAOYSA-N 0 0 453.857 4.838 20 5 JJBDRN CSc1cccc([C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC001457203728 1066788767 /nfs/dbraw/zinc/78/87/67/1066788767.db2.gz MYEFDSYXPQNTCH-HSZRJFAPSA-N 0 0 457.502 4.937 20 5 JJBDRN CSc1cccc([C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccc(F)c(F)c2)c1 ZINC001457203814 1066788939 /nfs/dbraw/zinc/78/89/39/1066788939.db2.gz NIXGJLDOWHFQMS-FQEVSTJZSA-N 0 0 454.458 4.991 20 5 JJBDRN Cc1nc(NC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001457283016 1066803100 /nfs/dbraw/zinc/80/31/00/1066803100.db2.gz CHHWUWQHFQEBPN-UHFFFAOYSA-N 0 0 454.527 4.740 20 5 JJBDRN CC1(CO)CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 ZINC001447416828 1066806803 /nfs/dbraw/zinc/80/68/03/1066806803.db2.gz QWLNVSKEKXUORO-NBVRZTHBSA-N 0 0 451.548 4.756 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001447511797 1066817127 /nfs/dbraw/zinc/81/71/27/1066817127.db2.gz UCBGCXACLQXMHD-UHFFFAOYSA-N 0 0 453.347 4.916 20 5 JJBDRN CC[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001447511825 1066817166 /nfs/dbraw/zinc/81/71/66/1066817166.db2.gz NWZWODWWBYWLMY-DEOSSOPVSA-N 0 0 458.562 4.944 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001457413061 1066825462 /nfs/dbraw/zinc/82/54/62/1066825462.db2.gz GRZGSKFPCNFWED-UHFFFAOYSA-N 0 0 450.495 4.945 20 5 JJBDRN CCc1[nH]nc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1-c1cccs1 ZINC001457431700 1066831493 /nfs/dbraw/zinc/83/14/93/1066831493.db2.gz JJGVVALBZNSOKB-UHFFFAOYSA-N 0 0 450.524 4.723 20 5 JJBDRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC(C)C)cs1 ZINC001492694656 1066840080 /nfs/dbraw/zinc/84/00/80/1066840080.db2.gz JVIKGRZGMLYTAJ-HXUWFJFHSA-N 0 0 456.572 4.775 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC001457490164 1066841744 /nfs/dbraw/zinc/84/17/44/1066841744.db2.gz BFFQTIHFTGESAD-HUUCEWRRSA-N 0 0 450.919 4.546 20 5 JJBDRN CCOC(=O)C[C@@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447692883 1066843425 /nfs/dbraw/zinc/84/34/25/1066843425.db2.gz WZSJLTJVHLWCJK-OVGFGYAMSA-N 0 0 453.520 4.593 20 5 JJBDRN COc1cc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001457520076 1066850354 /nfs/dbraw/zinc/85/03/54/1066850354.db2.gz ODYBVQUXEPEXCZ-UHFFFAOYSA-N 0 0 459.462 4.528 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC(OCc2ccccc2)CC1 ZINC001457533107 1066853794 /nfs/dbraw/zinc/85/37/94/1066853794.db2.gz SUEMZQXMLPJHFI-UHFFFAOYSA-N 0 0 453.720 4.832 20 5 JJBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001447777917 1066855692 /nfs/dbraw/zinc/85/56/92/1066855692.db2.gz HDVLTVIFASBMQR-KPZWWZAWSA-N 0 0 453.720 4.542 20 5 JJBDRN CC(C)CN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001457563999 1066862705 /nfs/dbraw/zinc/86/27/05/1066862705.db2.gz CGTFFKZSVGJIOE-UHFFFAOYSA-N 0 0 457.328 4.841 20 5 JJBDRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001457623824 1066884430 /nfs/dbraw/zinc/88/44/30/1066884430.db2.gz QHRKBGPDBVZNLD-UHFFFAOYSA-N 0 0 450.539 4.803 20 5 JJBDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457656317 1066890765 /nfs/dbraw/zinc/89/07/65/1066890765.db2.gz KFJIQJREUKCVTR-UHFFFAOYSA-N 0 0 454.664 4.528 20 5 JJBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457678807 1066895854 /nfs/dbraw/zinc/89/58/54/1066895854.db2.gz BEMFXJHPBASYCU-UHFFFAOYSA-N 0 0 456.680 4.672 20 5 JJBDRN COc1ccccc1CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001457740920 1066908116 /nfs/dbraw/zinc/90/81/16/1066908116.db2.gz BYYFRPSMGDOJIR-UHFFFAOYSA-N 0 0 452.488 4.919 20 5 JJBDRN COc1cc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001457740084 1066908184 /nfs/dbraw/zinc/90/81/84/1066908184.db2.gz WRWUKXDPJJRITJ-SFHVURJKSA-N 0 0 453.520 4.791 20 5 JJBDRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001457789111 1066920563 /nfs/dbraw/zinc/92/05/63/1066920563.db2.gz OZAMIAPAOICLRX-UHFFFAOYSA-N 0 0 451.523 4.601 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)cc1[N+](=O)[O-] ZINC001457883440 1066935794 /nfs/dbraw/zinc/93/57/94/1066935794.db2.gz BDYAILBWKNTYDM-FQEVSTJZSA-N 0 0 450.944 4.703 20 5 JJBDRN C[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457892950 1066937777 /nfs/dbraw/zinc/93/77/77/1066937777.db2.gz GWBZKNQZIMPRHV-YWZLYKJASA-N 0 0 450.495 4.984 20 5 JJBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001448553950 1066938910 /nfs/dbraw/zinc/93/89/10/1066938910.db2.gz SQSJBLIPJGOPKZ-UHFFFAOYSA-N 0 0 457.328 4.752 20 5 JJBDRN Cc1nnc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H](C)C2CCCCC2)s1 ZINC001492768271 1066941771 /nfs/dbraw/zinc/94/17/71/1066941771.db2.gz SDPXVVBASAECML-HNNXBMFYSA-N 0 0 455.588 4.661 20 5 JJBDRN O=C(N1CCC(Nc2cccc(Br)c2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001448617421 1066942897 /nfs/dbraw/zinc/94/28/97/1066942897.db2.gz PESGWCCVQCDBCM-UHFFFAOYSA-N 0 0 458.356 4.882 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC001457965257 1066949051 /nfs/dbraw/zinc/94/90/51/1066949051.db2.gz AASADRKOGCKZRS-GKKDWNQVSA-N 0 0 459.768 4.803 20 5 JJBDRN Cc1sc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)cc1-c1ccc(F)cc1 ZINC001448724319 1066953775 /nfs/dbraw/zinc/95/37/75/1066953775.db2.gz NJNZUNZRVRDORO-UHFFFAOYSA-N 0 0 451.483 4.556 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3ccc([N+](=O)[O-])c(Br)c3)CCCC[C@H]12 ZINC001457991651 1066953782 /nfs/dbraw/zinc/95/37/82/1066953782.db2.gz HKIQPFPCLSRCOY-OXJNMPFZSA-N 0 0 468.348 4.866 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC001448734103 1066954748 /nfs/dbraw/zinc/95/47/48/1066954748.db2.gz IJZKEKHAGYZSJC-LZRMYHPSSA-N 0 0 457.615 4.869 20 5 JJBDRN CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC2(CCC2)C1 ZINC001457997973 1066954788 /nfs/dbraw/zinc/95/47/88/1066954788.db2.gz QWMJWMJPBZTMPK-UHFFFAOYSA-N 0 0 454.321 4.523 20 5 JJBDRN O=C(Nc1ccccc1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001448760762 1066955785 /nfs/dbraw/zinc/95/57/85/1066955785.db2.gz UYTIMHRUQUCHSI-GHTZIAJQSA-N 0 0 453.857 4.926 20 5 JJBDRN COc1ccc(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC001458059502 1066964454 /nfs/dbraw/zinc/96/44/54/1066964454.db2.gz CNCJJLJWBVJRFA-UHFFFAOYSA-N 0 0 459.446 4.540 20 5 JJBDRN COc1ccc(Oc2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)cc1 ZINC001458072279 1066967193 /nfs/dbraw/zinc/96/71/93/1066967193.db2.gz PPFPMYCSWJXUFC-UHFFFAOYSA-N 0 0 458.417 4.970 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCCOc3ccccc3F)c([N+](=O)[O-])c2)c(C)c1 ZINC001458081919 1066970046 /nfs/dbraw/zinc/97/00/46/1066970046.db2.gz FPUUGPYJDRSRFO-UHFFFAOYSA-N 0 0 459.499 4.642 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCSc1ccc(F)cc1 ZINC001458083927 1066970543 /nfs/dbraw/zinc/97/05/43/1066970543.db2.gz PMISYUZEOUNFLQ-UHFFFAOYSA-N 0 0 453.561 4.503 20 5 JJBDRN Cn1cc(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001545716153 1066971012 /nfs/dbraw/zinc/97/10/12/1066971012.db2.gz JCHNSLDQDBVHJB-DEOSSOPVSA-N 0 0 456.502 4.914 20 5 JJBDRN CCOc1cc(C(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC001545716608 1066971487 /nfs/dbraw/zinc/97/14/87/1066971487.db2.gz VPJDOYQPABEQNH-QFIPXVFZSA-N 0 0 450.491 4.921 20 5 JJBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc1-c1ccccc1 ZINC001458092459 1066972196 /nfs/dbraw/zinc/97/21/96/1066972196.db2.gz AJLFSWWSSRNFFO-UHFFFAOYSA-N 0 0 458.440 4.878 20 5 JJBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC001458102985 1066976501 /nfs/dbraw/zinc/97/65/01/1066976501.db2.gz JLKIVMLDCAMVQH-XOBRGWDASA-N 0 0 452.429 4.669 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC001449030567 1066978289 /nfs/dbraw/zinc/97/82/89/1066978289.db2.gz RVCNPFHCVWQLLO-MRXNPFEDSA-N 0 0 452.338 4.764 20 5 JJBDRN O=C(CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC001458114109 1066979987 /nfs/dbraw/zinc/97/99/87/1066979987.db2.gz SQCPEWTVDGBDTQ-UHFFFAOYSA-N 0 0 454.280 4.639 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(NCCCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC001458130305 1066984376 /nfs/dbraw/zinc/98/43/76/1066984376.db2.gz MREQNVUJFRHYFX-UHFFFAOYSA-N 0 0 459.490 4.689 20 5 JJBDRN C[C@H](CNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001458140089 1066986364 /nfs/dbraw/zinc/98/63/64/1066986364.db2.gz BLMJFSJSEXINBH-OAHLLOKOSA-N 0 0 454.483 4.536 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCCCNc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458142322 1066986720 /nfs/dbraw/zinc/98/67/20/1066986720.db2.gz APQQYQXDIVRYQJ-UHFFFAOYSA-N 0 0 454.552 4.927 20 5 JJBDRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1c(Br)cccc1[N+](=O)[O-] ZINC001458142146 1066986822 /nfs/dbraw/zinc/98/68/22/1066986822.db2.gz APRZWQXQILEYEL-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN O=[N+]([O-])c1cc(Br)ccc1NCCc1ccc(I)s1 ZINC001458149286 1066987296 /nfs/dbraw/zinc/98/72/96/1066987296.db2.gz BXRBDTUUXQXJRM-UHFFFAOYSA-N 0 0 453.099 4.678 20 5 JJBDRN CCC(=O)c1ccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c([N+](=O)[O-])c1 ZINC001458164504 1066993556 /nfs/dbraw/zinc/99/35/56/1066993556.db2.gz KJCGUDMVKFZORW-UHFFFAOYSA-N 0 0 454.527 4.772 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc3nc(C)cn3c2)c([N+](=O)[O-])c1 ZINC001458191297 1067000813 /nfs/dbraw/zinc/00/08/13/1067000813.db2.gz UDEUKRSAOZEUFW-UHFFFAOYSA-N 0 0 451.508 4.510 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H](C)[S@]1=O ZINC001449336261 1067001110 /nfs/dbraw/zinc/00/11/10/1067001110.db2.gz YCVNYUIETULPHE-IONWVBAPSA-N 0 0 452.985 4.771 20 5 JJBDRN Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC2=O)cc1 ZINC001449336179 1067001122 /nfs/dbraw/zinc/00/11/22/1067001122.db2.gz XVYVWVBYYRKZJN-UHFFFAOYSA-N 0 0 453.564 4.675 20 5 JJBDRN Cc1cc(N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c(F)cc1[N+](=O)[O-] ZINC001458196210 1067001535 /nfs/dbraw/zinc/00/15/35/1067001535.db2.gz GWEFBQPYKCJOES-UHFFFAOYSA-N 0 0 457.399 4.855 20 5 JJBDRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 ZINC001458206431 1067002777 /nfs/dbraw/zinc/00/27/77/1067002777.db2.gz WCAYOHGZUNVUDK-HNNXBMFYSA-N 0 0 452.338 4.635 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001458209242 1067003095 /nfs/dbraw/zinc/00/30/95/1067003095.db2.gz KTGMAELPFAUIIU-UHFFFAOYSA-N 0 0 455.873 4.741 20 5 JJBDRN CC(C)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)Sc1ccc(Br)cc1 ZINC001458208215 1067003264 /nfs/dbraw/zinc/00/32/64/1067003264.db2.gz WAKGSISISGBVEP-UHFFFAOYSA-N 0 0 459.387 4.744 20 5 JJBDRN CS(=O)(=O)c1cccc([C@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2ccc(Cl)cc2)c1 ZINC001458210679 1067003904 /nfs/dbraw/zinc/00/39/04/1067003904.db2.gz SYIOZZNKASBSNL-LJQANCHMSA-N 0 0 456.911 4.501 20 5 JJBDRN Cc1ccc(CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC2)cc1 ZINC001458217133 1067005503 /nfs/dbraw/zinc/00/55/03/1067005503.db2.gz BMGVEZLQFJZCBL-UHFFFAOYSA-N 0 0 457.530 4.667 20 5 JJBDRN COCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 ZINC001449398165 1067006246 /nfs/dbraw/zinc/00/62/46/1067006246.db2.gz BOAHZKOSQSGAPR-KRWDZBQOSA-N 0 0 450.278 4.663 20 5 JJBDRN CC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC001458226735 1067007467 /nfs/dbraw/zinc/00/74/67/1067007467.db2.gz ANTRYQNXXAYWGP-DENIHFKCSA-N 0 0 457.596 4.790 20 5 JJBDRN C[C@@H](Nc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001458230439 1067008164 /nfs/dbraw/zinc/00/81/64/1067008164.db2.gz KGFVAPNLARSHQG-CYBMUJFWSA-N 0 0 458.446 4.633 20 5 JJBDRN CCOc1ccc([C@H](C)NC(=O)CCCNc2cccc(Br)c2[N+](=O)[O-])cc1 ZINC001458240185 1067009937 /nfs/dbraw/zinc/00/99/37/1067009937.db2.gz OYHCKHWLVVEPSO-AWEZNQCLSA-N 0 0 450.333 4.826 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@H]1CCCC[C@@H]1O ZINC001449600411 1067016936 /nfs/dbraw/zinc/01/69/36/1067016936.db2.gz NSLAHBZWQKJBIP-ZNTOPRRNSA-N 0 0 451.548 4.803 20 5 JJBDRN Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458268836 1067017015 /nfs/dbraw/zinc/01/70/15/1067017015.db2.gz REALZTDCKPIFFI-YOFSQIOKSA-N 0 0 453.543 4.727 20 5 JJBDRN CC(=O)CCc1ccc(OCCC(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC001458282076 1067020521 /nfs/dbraw/zinc/02/05/21/1067020521.db2.gz PCABAPZXRWPXMT-UHFFFAOYSA-N 0 0 453.520 4.672 20 5 JJBDRN CCC(CC)[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC001458295348 1067024395 /nfs/dbraw/zinc/02/43/95/1067024395.db2.gz YZWCXRYWAVNREC-PGRDOPGGSA-N 0 0 453.605 4.555 20 5 JJBDRN O=C(Cc1ccc(OCc2ccncc2)cc1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001458315926 1067028208 /nfs/dbraw/zinc/02/82/08/1067028208.db2.gz GQVLDNHRCVZNKJ-AREMUKBSSA-N 0 0 455.470 4.839 20 5 JJBDRN Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001545752673 1067028747 /nfs/dbraw/zinc/02/87/47/1067028747.db2.gz AYCMHAOINOAUOF-HXUWFJFHSA-N 0 0 455.492 4.557 20 5 JJBDRN C[C@H](CCO)n1c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2nc1C(F)(F)F ZINC001449835436 1067031126 /nfs/dbraw/zinc/03/11/26/1067031126.db2.gz AKHZAPHIEZMKDE-SNVBAGLBSA-N 0 0 456.808 4.812 20 5 JJBDRN C[C@@H](CCO)n1c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2nc1C(F)(F)F ZINC001449835423 1067031172 /nfs/dbraw/zinc/03/11/72/1067031172.db2.gz AKHZAPHIEZMKDE-JTQLQIEISA-N 0 0 456.808 4.812 20 5 JJBDRN CCc1ccc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)cc1[N+](=O)[O-] ZINC001449840723 1067031696 /nfs/dbraw/zinc/03/16/96/1067031696.db2.gz OJWZAHVLFCCHFY-GFCCVEGCSA-N 0 0 450.417 4.721 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001458330445 1067032337 /nfs/dbraw/zinc/03/23/37/1067032337.db2.gz YDAMEFXJYPDZSD-BHDDXSALSA-N 0 0 457.596 4.788 20 5 JJBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCCN1Cc1ccc(F)cc1F ZINC001458332303 1067032797 /nfs/dbraw/zinc/03/27/97/1067032797.db2.gz ZFODMJOJEPGDNU-LJQANCHMSA-N 0 0 456.424 4.677 20 5 JJBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001458342958 1067036125 /nfs/dbraw/zinc/03/61/25/1067036125.db2.gz RQOICDNFVHCFGC-UHFFFAOYSA-N 0 0 451.420 4.971 20 5 JJBDRN C[C@@H](CCNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1ccccc1 ZINC001458346495 1067037360 /nfs/dbraw/zinc/03/73/60/1067037360.db2.gz NIBOOGJYBPGZGN-KRWDZBQOSA-N 0 0 450.520 4.787 20 5 JJBDRN C[C@H](CCNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1ccccc1 ZINC001458346498 1067037527 /nfs/dbraw/zinc/03/75/27/1067037527.db2.gz NIBOOGJYBPGZGN-QGZVFWFLSA-N 0 0 450.520 4.787 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3nc(C(F)F)sc3c2)c([N+](=O)[O-])c1 ZINC001458368216 1067043318 /nfs/dbraw/zinc/04/33/18/1067043318.db2.gz CHIIVZLNEGQAQT-UHFFFAOYSA-N 0 0 456.496 4.916 20 5 JJBDRN COc1ccccc1O[C@H]1CCCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001458371829 1067044342 /nfs/dbraw/zinc/04/43/42/1067044342.db2.gz VKOSJJIEKWHEOD-HNNXBMFYSA-N 0 0 458.312 4.962 20 5 JJBDRN Cc1ccc(C[C@@H](CO)CNc2cccc(Br)c2[N+](=O)[O-])cc1Br ZINC001458379297 1067046519 /nfs/dbraw/zinc/04/65/19/1067046519.db2.gz OHDHUXCQRDYXQL-CYBMUJFWSA-N 0 0 458.150 4.691 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)cc2[N+](=O)[O-])C1 ZINC001450099477 1067049335 /nfs/dbraw/zinc/04/93/35/1067049335.db2.gz XTCCZJZSQGOEDC-QQMNAOGKSA-N 0 0 457.958 4.944 20 5 JJBDRN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 ZINC001458394387 1067049917 /nfs/dbraw/zinc/04/99/17/1067049917.db2.gz UOAQEEQHPNILLU-OAQYLSRUSA-N 0 0 455.511 4.811 20 5 JJBDRN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398802 1067051796 /nfs/dbraw/zinc/05/17/96/1067051796.db2.gz ZBHOQXMYMRWMBI-QUCCMNQESA-N 0 0 459.428 4.603 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NCC[C@@H]3CCc4ccccc43)c([N+](=O)[O-])c2)CC1 ZINC001458403647 1067053156 /nfs/dbraw/zinc/05/31/56/1067053156.db2.gz CJEZJSMJAYWHNC-SYYJFZTOSA-N 0 0 457.596 4.984 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC001545769302 1067054890 /nfs/dbraw/zinc/05/48/90/1067054890.db2.gz WBIJDXOXQDQIHU-UHFFFAOYSA-N 0 0 455.923 4.981 20 5 JJBDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001545768785 1067055114 /nfs/dbraw/zinc/05/51/14/1067055114.db2.gz GFJYWACDOYJLSN-CDHQVMDDSA-N 0 0 455.942 4.649 20 5 JJBDRN CCc1ccccc1[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)NC(=O)OC(C)(C)C ZINC001458412734 1067055690 /nfs/dbraw/zinc/05/56/90/1067055690.db2.gz HAUBIHSNTJMJGN-AWEZNQCLSA-N 0 0 457.453 4.587 20 5 JJBDRN Nc1c(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc(Br)cc1[N+](=O)[O-] ZINC001450162185 1067056445 /nfs/dbraw/zinc/05/64/45/1067056445.db2.gz XGMDACPYWLWQBC-CYBMUJFWSA-N 0 0 456.749 4.600 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC001458426764 1067057971 /nfs/dbraw/zinc/05/79/71/1067057971.db2.gz AEIYAGUVQUHAIE-AZUAARDMSA-N 0 0 452.486 4.779 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nccs2)CC1)OC ZINC001545772555 1067061174 /nfs/dbraw/zinc/06/11/74/1067061174.db2.gz CZSIWXCZBDSZGR-UHFFFAOYSA-N 0 0 470.599 4.899 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)SC ZINC001545772677 1067061536 /nfs/dbraw/zinc/06/15/36/1067061536.db2.gz IBCKFXHYJVVHIP-XFAGBWLFSA-N 0 0 489.642 4.548 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC ZINC001545772841 1067062252 /nfs/dbraw/zinc/06/22/52/1067062252.db2.gz OBHBCWXZOHAUBT-MRXNPFEDSA-N 0 0 455.481 4.837 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001458447316 1067063002 /nfs/dbraw/zinc/06/30/02/1067063002.db2.gz IDRBBXVZBXLMOH-GOTSBHOMSA-N 0 0 455.511 4.859 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001450260893 1067065554 /nfs/dbraw/zinc/06/55/54/1067065554.db2.gz UPPOODZYRNOODS-MOPGFXCFSA-N 0 0 459.587 4.758 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc21 ZINC001450286235 1067069020 /nfs/dbraw/zinc/06/90/20/1067069020.db2.gz UYAVLYCSGTXJOG-UHFFFAOYSA-N 0 0 450.495 4.694 20 5 JJBDRN O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001450287779 1067069180 /nfs/dbraw/zinc/06/91/80/1067069180.db2.gz AQONXYKAQPHXPP-HNNXBMFYSA-N 0 0 453.486 4.750 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@]4(CC4(F)F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458469056 1067069945 /nfs/dbraw/zinc/06/99/45/1067069945.db2.gz NVIFGUDGGICFQM-HXUWFJFHSA-N 0 0 451.495 4.638 20 5 JJBDRN O=C(CCC(=O)N1CCCC[C@@H]1Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001450301197 1067070524 /nfs/dbraw/zinc/07/05/24/1067070524.db2.gz DATSYUGPVYKDJM-GOSISDBHSA-N 0 0 459.340 4.944 20 5 JJBDRN COc1cc(Br)ccc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC001458488337 1067073644 /nfs/dbraw/zinc/07/36/44/1067073644.db2.gz DXQXKBWPICORAF-AWEZNQCLSA-N 0 0 457.122 4.865 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(NCc2cccc(NC(=O)OC(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC001458489406 1067074074 /nfs/dbraw/zinc/07/40/74/1067074074.db2.gz IZYWOXUIYSDXFK-UHFFFAOYSA-N 0 0 451.483 4.518 20 5 JJBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001458512243 1067078578 /nfs/dbraw/zinc/07/85/78/1067078578.db2.gz FCJBJXGCVXXWFX-UHFFFAOYSA-N 0 0 454.914 4.809 20 5 JJBDRN O=C(c1ccccc1)c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c([N+](=O)[O-])c1 ZINC001458530037 1067082326 /nfs/dbraw/zinc/08/23/26/1067082326.db2.gz IZPPDUGRKIFISK-IBGZPJMESA-N 0 0 453.857 4.836 20 5 JJBDRN O=C(NCc1ccccc1)c1cccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])c1 ZINC001458530120 1067082382 /nfs/dbraw/zinc/08/23/82/1067082382.db2.gz XUISNFUMFFDIRH-UHFFFAOYSA-N 0 0 454.280 4.540 20 5 JJBDRN Cc1cc(N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458557376 1067087291 /nfs/dbraw/zinc/08/72/91/1067087291.db2.gz RBRKAFJDFVLFPN-UHFFFAOYSA-N 0 0 453.543 4.730 20 5 JJBDRN Cc1c(Br)c(N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)ncc1[N+](=O)[O-] ZINC001458556777 1067087429 /nfs/dbraw/zinc/08/74/29/1067087429.db2.gz NCUBFRKYHNJDFC-UHFFFAOYSA-N 0 0 457.369 4.725 20 5 JJBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC001450562790 1067091465 /nfs/dbraw/zinc/09/14/65/1067091465.db2.gz WDOCYDOFUIBIFM-UHFFFAOYSA-N 0 0 454.271 4.807 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC001450601277 1067093594 /nfs/dbraw/zinc/09/35/94/1067093594.db2.gz BRHXRQXPLKKKFF-UHFFFAOYSA-N 0 0 450.492 4.557 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCCCC2 ZINC001458655818 1067101348 /nfs/dbraw/zinc/10/13/48/1067101348.db2.gz FPNHTXBPYJCIEJ-UHFFFAOYSA-N 0 0 452.536 4.608 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001450728942 1067111565 /nfs/dbraw/zinc/11/15/65/1067111565.db2.gz LSHNLYCDABWWCJ-HDJSIYSDSA-N 0 0 459.465 4.675 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1[N+](=O)[O-] ZINC001458707681 1067112981 /nfs/dbraw/zinc/11/29/81/1067112981.db2.gz AQCKHQZKPVJUOP-UHFFFAOYSA-N 0 0 450.831 4.601 20 5 JJBDRN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Oc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC001458712564 1067113525 /nfs/dbraw/zinc/11/35/25/1067113525.db2.gz KTQDETYZIUENEO-UHFFFAOYSA-N 0 0 454.401 4.856 20 5 JJBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)cccc1N1CN=NC1=O ZINC001450745604 1067114868 /nfs/dbraw/zinc/11/48/68/1067114868.db2.gz PZXQFQCNUONGKG-UHFFFAOYSA-N 0 0 453.524 4.724 20 5 JJBDRN COC1CCC(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC001458759398 1067133545 /nfs/dbraw/zinc/13/35/45/1067133545.db2.gz MPMZSLVTCGQYML-UHFFFAOYSA-N 0 0 457.493 4.542 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458763529 1067134838 /nfs/dbraw/zinc/13/48/38/1067134838.db2.gz QFLUAYUPYKZHIO-BEFAXECRSA-N 0 0 451.292 4.797 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458771802 1067138555 /nfs/dbraw/zinc/13/85/55/1067138555.db2.gz DMSMLLSIICIOEN-NVXWUHKLSA-N 0 0 458.433 4.881 20 5 JJBDRN Cn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1[C@@H]1COc2ccccc2O1 ZINC001458824940 1067158052 /nfs/dbraw/zinc/15/80/52/1067158052.db2.gz BHLACNJTURAISR-HNNXBMFYSA-N 0 0 453.307 4.835 20 5 JJBDRN O=c1c2ccc(Cl)cc2nc(SCCOc2ccc([N+](=O)[O-])cc2)n1Cc1ccco1 ZINC001458825611 1067159253 /nfs/dbraw/zinc/15/92/53/1067159253.db2.gz YPTULMDLOWDMNU-UHFFFAOYSA-N 0 0 457.895 4.771 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1F ZINC001451408924 1067166831 /nfs/dbraw/zinc/16/68/31/1067166831.db2.gz CDZUNIYGISSYCT-PKOBYXMFSA-N 0 0 469.469 4.613 20 5 JJBDRN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458852871 1067173777 /nfs/dbraw/zinc/17/37/77/1067173777.db2.gz GHPNWHNQWVZKGO-UWVGGRQHSA-N 0 0 451.232 4.890 20 5 JJBDRN CN(CC(=O)Nc1ncc(C2CCCCC2)s1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001458855070 1067174406 /nfs/dbraw/zinc/17/44/06/1067174406.db2.gz YKADFBBMHRQVHI-UHFFFAOYSA-N 0 0 453.362 4.936 20 5 JJBDRN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001451541468 1067177862 /nfs/dbraw/zinc/17/78/62/1067177862.db2.gz YKDLRHNKJDWCCW-UHFFFAOYSA-N 0 0 456.833 4.891 20 5 JJBDRN CC(=O)N(c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1)c1c(C)cc(C)cc1C ZINC001458868843 1067179528 /nfs/dbraw/zinc/17/95/28/1067179528.db2.gz GTPATESBDHXIGT-UHFFFAOYSA-N 0 0 452.492 4.617 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001451646635 1067182417 /nfs/dbraw/zinc/18/24/17/1067182417.db2.gz QYPAVPKKKKAERQ-CQSZACIVSA-N 0 0 455.349 4.640 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC001458922139 1067198342 /nfs/dbraw/zinc/19/83/42/1067198342.db2.gz USTGOMNMUGJPJN-UHFFFAOYSA-N 0 0 450.507 4.853 20 5 JJBDRN O=C(NCCCc1ccccc1)c1ccccc1OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001458938258 1067203390 /nfs/dbraw/zinc/20/33/90/1067203390.db2.gz CIQFTMRPHQVMKP-UHFFFAOYSA-N 0 0 458.474 4.586 20 5 JJBDRN Cc1cc(C)cc(OCCN(C)C(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001458972023 1067213683 /nfs/dbraw/zinc/21/36/83/1067213683.db2.gz XLJIVHANPYPSIM-UHFFFAOYSA-N 0 0 453.358 4.604 20 5 JJBDRN CCCN(CC)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cc1 ZINC001458979764 1067216331 /nfs/dbraw/zinc/21/63/31/1067216331.db2.gz HPJSGBXRZGPJSE-UHFFFAOYSA-N 0 0 453.280 4.688 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1c(F)ccc(C(F)(F)F)c1Br ZINC001452376291 1067220762 /nfs/dbraw/zinc/22/07/62/1067220762.db2.gz GUKSONXMPDJEQE-UHFFFAOYSA-N 0 0 457.124 4.723 20 5 JJBDRN Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cc1C ZINC001458993589 1067222881 /nfs/dbraw/zinc/22/28/81/1067222881.db2.gz WMRRXGLWMNYZFI-UHFFFAOYSA-N 0 0 454.264 4.614 20 5 JJBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC001452534108 1067232635 /nfs/dbraw/zinc/23/26/35/1067232635.db2.gz QLEHXTVVTJRTDB-KTKRTIGZSA-N 0 0 455.540 4.849 20 5 JJBDRN O=[N+]([O-])c1ccc(I)c(OCCc2ccc(OC(F)(F)F)cc2)c1 ZINC001459032399 1067234183 /nfs/dbraw/zinc/23/41/83/1067234183.db2.gz ONHMJMNTPHNECB-UHFFFAOYSA-N 0 0 453.154 4.720 20 5 JJBDRN COC(=O)C1(c2ccc(COc3c4cc(Br)ccc4ncc3[N+](=O)[O-])cc2)CC1 ZINC001459034428 1067235329 /nfs/dbraw/zinc/23/53/29/1067235329.db2.gz AHHHIHOJDYABFT-UHFFFAOYSA-N 0 0 457.280 4.689 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cc1C ZINC001459037137 1067235844 /nfs/dbraw/zinc/23/58/44/1067235844.db2.gz IHQIXBKJESAWQF-CQSZACIVSA-N 0 0 458.312 4.779 20 5 JJBDRN CC(C)[C@H](NC(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC001459038775 1067236290 /nfs/dbraw/zinc/23/62/90/1067236290.db2.gz LDHHSNLLFQIDIR-FQEVSTJZSA-N 0 0 458.312 4.798 20 5 JJBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001459074555 1067245211 /nfs/dbraw/zinc/24/52/11/1067245211.db2.gz QAULHKBIRWFNPX-MRXNPFEDSA-N 0 0 450.922 4.861 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ccnc2cc(Cl)ccc21 ZINC001459074863 1067245843 /nfs/dbraw/zinc/24/58/43/1067245843.db2.gz PUSZTZJXVRHEOE-UHFFFAOYSA-N 0 0 454.607 4.620 20 5 JJBDRN COc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)c1 ZINC001459143612 1067260083 /nfs/dbraw/zinc/26/00/83/1067260083.db2.gz QOWONLWVPBTQSC-UHFFFAOYSA-N 0 0 458.474 4.782 20 5 JJBDRN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(c2ccccc2Br)CC1 ZINC001459150293 1067261567 /nfs/dbraw/zinc/26/15/67/1067261567.db2.gz SFUBPSGRCOBGOF-UHFFFAOYSA-N 0 0 455.312 4.563 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001452921756 1067264709 /nfs/dbraw/zinc/26/47/09/1067264709.db2.gz NLDIYSAUNZAHCM-YUNKPMOVSA-N 0 0 458.342 4.669 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC001459169848 1067265705 /nfs/dbraw/zinc/26/57/05/1067265705.db2.gz SNWJLEIIXHKEII-UHFFFAOYSA-N 0 0 455.608 4.548 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459236525 1067275766 /nfs/dbraw/zinc/27/57/66/1067275766.db2.gz KCYVQJKYUWJOSC-QGZVFWFLSA-N 0 0 451.292 4.923 20 5 JJBDRN C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001459284009 1067282472 /nfs/dbraw/zinc/28/24/72/1067282472.db2.gz QSTXULRQAJHKLS-JTQLQIEISA-N 0 0 452.307 4.768 20 5 JJBDRN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC001546048391 1067287925 /nfs/dbraw/zinc/28/79/25/1067287925.db2.gz LNAPCJKOGVKZSX-CYFREDJKSA-N 0 0 484.988 4.928 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)s1 ZINC001459316445 1067292231 /nfs/dbraw/zinc/29/22/31/1067292231.db2.gz WPQZEQUNRDHIGK-QRWLVFNGSA-N 0 0 455.502 4.551 20 5 JJBDRN COc1cc(C)c([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2I)cc1C ZINC001459320628 1067293949 /nfs/dbraw/zinc/29/39/49/1067293949.db2.gz LGXFBDNRUFIZNG-LBPRGKRZSA-N 0 0 455.248 4.743 20 5 JJBDRN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccccc1Br ZINC001459340818 1067298296 /nfs/dbraw/zinc/29/82/96/1067298296.db2.gz RBOVLBCSTONIGJ-CQSZACIVSA-N 0 0 450.333 4.778 20 5 JJBDRN Cc1ccc(CC2CN(C(=O)c3ccccc3C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)C2)cc1 ZINC001453559856 1067314513 /nfs/dbraw/zinc/31/45/13/1067314513.db2.gz CBLKBHHQSWCVGZ-UHFFFAOYSA-N 0 0 457.530 4.515 20 5 JJBDRN CON(C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001453732065 1067324902 /nfs/dbraw/zinc/32/49/02/1067324902.db2.gz DSNJKDBWIFNUFO-SNVBAGLBSA-N 0 0 459.808 4.990 20 5 JJBDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001459464803 1067331038 /nfs/dbraw/zinc/33/10/38/1067331038.db2.gz IFDYLTHZLAKEMP-IBGZPJMESA-N 0 0 459.344 4.767 20 5 JJBDRN COc1cc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459480231 1067335946 /nfs/dbraw/zinc/33/59/46/1067335946.db2.gz RIIWQVPCTOHXIB-UHFFFAOYSA-N 0 0 458.814 4.629 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC001459523310 1067344183 /nfs/dbraw/zinc/34/41/83/1067344183.db2.gz GVUIPMNAZRULCO-UHFFFAOYSA-N 0 0 455.312 4.563 20 5 JJBDRN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459717002 1067394278 /nfs/dbraw/zinc/39/42/78/1067394278.db2.gz LHTBSVOMXPWDFI-CYBMUJFWSA-N 0 0 453.549 4.960 20 5 JJBDRN CCOc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 ZINC001459726148 1067397034 /nfs/dbraw/zinc/39/70/34/1067397034.db2.gz BWURBZRMZUDPLI-OAQYLSRUSA-N 0 0 451.527 4.700 20 5 JJBDRN O=C(Nc1c2c(ccc1Cl)OCC2)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001459729313 1067398061 /nfs/dbraw/zinc/39/80/61/1067398061.db2.gz MBURGSKQRJRLNU-UHFFFAOYSA-N 0 0 453.669 4.928 20 5 JJBDRN O=C(NCCc1ccccc1Br)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001459731644 1067398582 /nfs/dbraw/zinc/39/85/82/1067398582.db2.gz IWKQHTBDHJPWID-UHFFFAOYSA-N 0 0 454.324 4.942 20 5 JJBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001459730490 1067398729 /nfs/dbraw/zinc/39/87/29/1067398729.db2.gz POJOMHAQHUGBGW-NRFANRHFSA-N 0 0 455.308 4.836 20 5 JJBDRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001459741210 1067401938 /nfs/dbraw/zinc/40/19/38/1067401938.db2.gz DWFATMSLQYLPJF-UHFFFAOYSA-N 0 0 451.445 4.662 20 5 JJBDRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1c(Br)cccc1[N+](=O)[O-] 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457.424 4.593 20 5 JJBDRN O=C(CN1CCC[C@@H]1Cc1cc(F)ccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460294490 1067600619 /nfs/dbraw/zinc/60/06/19/1067600619.db2.gz FEJGFYLQHVONNG-QGZVFWFLSA-N 0 0 458.490 4.642 20 5 JJBDRN O=C(CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)Nc1ccc(Cl)cc1Cl ZINC001460305213 1067603315 /nfs/dbraw/zinc/60/33/15/1067603315.db2.gz UVLKLLOWGNEOGJ-QAQDUYKDSA-N 0 0 452.338 4.646 20 5 JJBDRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001460385027 1067623363 /nfs/dbraw/zinc/62/33/63/1067623363.db2.gz PXAKLZVYJVLPDQ-UHFFFAOYSA-N 0 0 456.442 4.972 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001460526294 1067650753 /nfs/dbraw/zinc/65/07/53/1067650753.db2.gz PAPWZHOXGNUOFG-UHFFFAOYSA-N 0 0 459.276 4.630 20 5 JJBDRN O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Nc1cc(Cl)cc(Cl)c1 ZINC001460528881 1067651259 /nfs/dbraw/zinc/65/12/59/1067651259.db2.gz ZEPNBBOIKWHCDA-UHFFFAOYSA-N 0 0 450.200 4.679 20 5 JJBDRN 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O=C(Cc1cc(Br)ccc1F)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460911178 1067746544 /nfs/dbraw/zinc/74/65/44/1067746544.db2.gz ASDSEZKKVOTSNV-OAHLLOKOSA-N 0 0 453.161 4.598 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N(C)c3ccc(C(=O)NC(C)(C)C)cc3)cc2[N+](=O)[O-])CC1 ZINC001460966204 1067754297 /nfs/dbraw/zinc/75/42/97/1067754297.db2.gz WXRRSPCYUUWVTC-UHFFFAOYSA-N 0 0 452.555 4.636 20 5 JJBDRN COc1cc(C(=O)NC2(c3cccc(F)c3)CCC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461100651 1067782106 /nfs/dbraw/zinc/78/21/06/1067782106.db2.gz OIXJHGURSQIDIE-UHFFFAOYSA-N 0 0 457.483 4.587 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC001461183073 1067794589 /nfs/dbraw/zinc/79/45/89/1067794589.db2.gz DITMYVPPWBVQII-UHFFFAOYSA-N 0 0 454.639 4.716 20 5 JJBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001461224428 1067803893 /nfs/dbraw/zinc/80/38/93/1067803893.db2.gz ZRLPTMFPKSVXBF-VQTJNVASSA-N 0 0 456.564 4.762 20 5 JJBDRN CCCCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC001461339129 1067832762 /nfs/dbraw/zinc/83/27/62/1067832762.db2.gz OPIIBFNYPQVDGS-CYBMUJFWSA-N 0 0 457.474 4.792 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cc1SC ZINC001461450935 1067859815 /nfs/dbraw/zinc/85/98/15/1067859815.db2.gz LDWVDAUOJDAEHT-UHFFFAOYSA-N 0 0 458.536 4.874 20 5 JJBDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001461450905 1067859836 /nfs/dbraw/zinc/85/98/36/1067859836.db2.gz OMJDOBCEGBZZAF-OAHLLOKOSA-N 0 0 458.312 4.739 20 5 JJBDRN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001461567404 1067890483 /nfs/dbraw/zinc/89/04/83/1067890483.db2.gz BJIMBPVVVFSUQD-BHDDXSALSA-N 0 0 467.522 4.645 20 5 JJBDRN Cn1cc(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001461611063 1067901212 /nfs/dbraw/zinc/90/12/12/1067901212.db2.gz WTDWWXBLNGNWNM-UHFFFAOYSA-N 0 0 455.446 4.573 20 5 JJBDRN Cc1ccc2oc(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001461609881 1067901271 /nfs/dbraw/zinc/90/12/71/1067901271.db2.gz ZBKBLQKZFHPCOG-XMMPIXPASA-N 0 0 453.495 4.706 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461707041 1067922817 /nfs/dbraw/zinc/92/28/17/1067922817.db2.gz UGMIPZXYKUZFIC-QYWGDWMGSA-N 0 0 454.527 4.897 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Br)c1F ZINC001461771901 1067934202 /nfs/dbraw/zinc/93/42/02/1067934202.db2.gz DOFYLCMEBMGAIH-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN Cc1cccc2c1CCC[C@H]2NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001461791006 1067937624 /nfs/dbraw/zinc/93/76/24/1067937624.db2.gz CEPIPYBSCIHWHK-BWKNWUBXSA-N 0 0 453.539 4.837 20 5 JJBDRN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001461791009 1067937974 /nfs/dbraw/zinc/93/79/74/1067937974.db2.gz CEPIPYBSCIHWHK-SQJMNOBHSA-N 0 0 453.539 4.837 20 5 JJBDRN COc1cc(C(=O)Oc2cccc(OC(F)(F)F)c2Br)c([N+](=O)[O-])cc1F ZINC001461931815 1067963134 /nfs/dbraw/zinc/96/31/34/1067963134.db2.gz CIWPUZLXVRWGML-UHFFFAOYSA-N 0 0 454.126 4.623 20 5 JJBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001461949236 1067967235 /nfs/dbraw/zinc/96/72/35/1067967235.db2.gz QXMOPNCEFVZYHQ-GOSISDBHSA-N 0 0 453.348 4.953 20 5 JJBDRN COC(=O)[C@@](C)(NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001462024058 1067983704 /nfs/dbraw/zinc/98/37/04/1067983704.db2.gz VDOMFGDPBOMWRV-VWLOTQADSA-N 0 0 450.466 4.836 20 5 JJBDRN Cc1ccc(I)cc1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001462110025 1068006395 /nfs/dbraw/zinc/00/63/95/1068006395.db2.gz BHJPHWKSNOOSII-UHFFFAOYSA-N 0 0 453.099 4.944 20 5 JJBDRN O=C(OCc1ccc(Br)c(F)c1F)c1c(Br)cccc1[N+](=O)[O-] ZINC001462207565 1068029499 /nfs/dbraw/zinc/02/94/99/1068029499.db2.gz IXMBEHMHSOKGDX-UHFFFAOYSA-N 0 0 451.017 4.755 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001462237091 1068035439 /nfs/dbraw/zinc/03/54/39/1068035439.db2.gz GCWOPAHEBCYYFO-HNNXBMFYSA-N 0 0 451.589 4.862 20 5 JJBDRN CC(C)Cn1ncc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC001462492333 1068084327 /nfs/dbraw/zinc/08/43/27/1068084327.db2.gz CSYNLZOMLFGOKW-UHFFFAOYSA-N 0 0 457.328 4.807 20 5 JJBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1oc2ccccc2c1Br ZINC001462498172 1068085899 /nfs/dbraw/zinc/08/58/99/1068085899.db2.gz WPUPLHDRDPOFRT-UHFFFAOYSA-N 0 0 454.074 4.796 20 5 JJBDRN CC(C)(C)[C@H]1CCC[C@@](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)(C(F)(F)F)CC1 ZINC001462640663 1068121530 /nfs/dbraw/zinc/12/15/30/1068121530.db2.gz BAERWOAAZYLDMY-XOBRGWDASA-N 0 0 453.465 4.833 20 5 JJBDRN CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC001462688599 1068132207 /nfs/dbraw/zinc/13/22/07/1068132207.db2.gz VJKBDCKEJOWJRY-LLVKDONJSA-N 0 0 458.330 4.956 20 5 JJBDRN COc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC001462752016 1068155743 /nfs/dbraw/zinc/15/57/43/1068155743.db2.gz GTYZECHVWJEMNP-QFIPXVFZSA-N 0 0 458.561 4.612 20 5 JJBDRN COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c2ncccc12 ZINC001462752883 1068155747 /nfs/dbraw/zinc/15/57/47/1068155747.db2.gz KRDUIVJIGAXVTH-UHFFFAOYSA-N 0 0 450.472 4.510 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001462772298 1068163130 /nfs/dbraw/zinc/16/31/30/1068163130.db2.gz SEVUONKAHJIIPB-UHFFFAOYSA-N 0 0 454.335 4.951 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001462855067 1068192440 /nfs/dbraw/zinc/19/24/40/1068192440.db2.gz TVXRQHAYUHBOBR-CYBMUJFWSA-N 0 0 454.335 4.951 20 5 JJBDRN CC(C)(C)OCc1ccccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001462863934 1068195754 /nfs/dbraw/zinc/19/57/54/1068195754.db2.gz GAINLPLLARZLRE-UHFFFAOYSA-N 0 0 454.264 4.767 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2cccc3ccccc32)c(C)c1[N+](=O)[O-] ZINC001462900666 1068208742 /nfs/dbraw/zinc/20/87/42/1068208742.db2.gz LSTDQPANAVRBLD-LJQANCHMSA-N 0 0 455.492 4.799 20 5 JJBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N(CC1CCCCC1)CC1CCCCC1)OCCO2 ZINC001462903643 1068209882 /nfs/dbraw/zinc/20/98/82/1068209882.db2.gz XFAZVCZVUUGKKS-UHFFFAOYSA-N 0 0 452.573 4.517 20 5 JJBDRN COc1ccc(CSCC(=O)OCc2cc(F)c(C(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC001462915337 1068213040 /nfs/dbraw/zinc/21/30/40/1068213040.db2.gz YNRNCWSGXUEMBZ-UHFFFAOYSA-N 0 0 451.369 4.877 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC001462934972 1068220661 /nfs/dbraw/zinc/22/06/61/1068220661.db2.gz KUJDSYAUFDUUJM-UHFFFAOYSA-N 0 0 459.337 4.713 20 5 JJBDRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001462937128 1068221527 /nfs/dbraw/zinc/22/15/27/1068221527.db2.gz GRARIXRHSPNYGC-UHFFFAOYSA-N 0 0 454.129 4.879 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC001462959173 1068230099 /nfs/dbraw/zinc/23/00/99/1068230099.db2.gz KQVJUHACGOAXCK-UHFFFAOYSA-N 0 0 459.749 4.677 20 5 JJBDRN CCC1(Cn2c(-c3ccccn3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCOCC1 ZINC001546135603 1068241107 /nfs/dbraw/zinc/24/11/07/1068241107.db2.gz AFCTURISWZMYDC-UHFFFAOYSA-N 0 0 464.570 4.870 20 5 JJBDRN Cc1cc2c(cc1Br)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC001463012415 1068251017 /nfs/dbraw/zinc/25/10/17/1068251017.db2.gz PHRWTTJUGNCAAN-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN O=C(NCc1ccc(Br)c(Br)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001463023251 1068255290 /nfs/dbraw/zinc/25/52/90/1068255290.db2.gz QSHLIVNIZXLVKX-UONOGXRCSA-N 0 0 454.118 4.540 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001463054337 1068267400 /nfs/dbraw/zinc/26/74/00/1068267400.db2.gz FVQHRRSPCREPPD-UHFFFAOYSA-N 0 0 458.458 4.756 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001463065527 1068273445 /nfs/dbraw/zinc/27/34/45/1068273445.db2.gz LPLJBWHVTZNMHF-XCLFUZPHSA-N 0 0 457.449 4.523 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)c(Cl)cc1Cl ZINC001463077635 1068279592 /nfs/dbraw/zinc/27/95/92/1068279592.db2.gz NPTMUWULQDWSEB-UHFFFAOYSA-N 0 0 459.351 4.519 20 5 JJBDRN Cc1noc(C[C@H]2CCCN(C(=O)c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC001463084265 1068281878 /nfs/dbraw/zinc/28/18/78/1068281878.db2.gz QDXJXUQODYHVTQ-QGZVFWFLSA-N 0 0 452.536 4.841 20 5 JJBDRN C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463086121 1068282385 /nfs/dbraw/zinc/28/23/85/1068282385.db2.gz MDHPGKIWWJVEMO-LGFNAOKASA-N 0 0 459.749 4.686 20 5 JJBDRN C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463086133 1068282439 /nfs/dbraw/zinc/28/24/39/1068282439.db2.gz MDHPGKIWWJVEMO-OVWKYPIYSA-N 0 0 459.749 4.686 20 5 JJBDRN CC[S@](=O)(=NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001463112118 1068291195 /nfs/dbraw/zinc/29/11/95/1068291195.db2.gz VRRKMTNVAXXPKM-GDLZYMKVSA-N 0 0 450.822 4.877 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCSc1ccccc1Br ZINC001463138637 1068300084 /nfs/dbraw/zinc/30/00/84/1068300084.db2.gz RCVCKZBCWAYCEM-UHFFFAOYSA-N 0 0 459.387 4.517 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(Br)c1 ZINC001463139345 1068300104 /nfs/dbraw/zinc/30/01/04/1068300104.db2.gz XEODVQFZPGEOMH-UHFFFAOYSA-N 0 0 459.387 4.599 20 5 JJBDRN Cc1c(NC(=O)c2c3ccc(Br)cc3nn2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001463172066 1068309101 /nfs/dbraw/zinc/30/91/01/1068309101.db2.gz ZZEIYIUOSKBTHA-UHFFFAOYSA-N 0 0 457.206 4.824 20 5 JJBDRN Cc1ccccc1C1CC(N(C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC001463214057 1068322562 /nfs/dbraw/zinc/32/25/62/1068322562.db2.gz KFIAPVBWHRNLHF-UHFFFAOYSA-N 0 0 459.524 4.528 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(=O)N(C)c2cc(C(F)(F)F)ccc21 ZINC001463237333 1068331043 /nfs/dbraw/zinc/33/10/43/1068331043.db2.gz CHZNYRMGWPVHJZ-UHFFFAOYSA-N 0 0 453.442 4.739 20 5 JJBDRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001463254736 1068336525 /nfs/dbraw/zinc/33/65/25/1068336525.db2.gz GTVWYHPFKUDROG-HSZRJFAPSA-N 0 0 457.527 4.800 20 5 JJBDRN O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001463257172 1068336909 /nfs/dbraw/zinc/33/69/09/1068336909.db2.gz FKRHXYOJEPLJPH-UHFFFAOYSA-N 0 0 453.394 4.852 20 5 JJBDRN Cc1nc(-c2ccc(S(=O)(=O)Oc3ccc(Cc4ccccc4)cc3[N+](=O)[O-])cc2)co1 ZINC001463263919 1068338158 /nfs/dbraw/zinc/33/81/58/1068338158.db2.gz SKXXXAWNPRCDGH-UHFFFAOYSA-N 0 0 450.472 4.917 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC001463318017 1068354527 /nfs/dbraw/zinc/35/45/27/1068354527.db2.gz AMLABWDTQSIDEV-NRFANRHFSA-N 0 0 458.923 4.745 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC001463319913 1068355042 /nfs/dbraw/zinc/35/50/42/1068355042.db2.gz NSLMNYVSEPCUAU-UHFFFAOYSA-N 0 0 456.854 4.524 20 5 JJBDRN Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(C)(C)C ZINC001463342695 1068362949 /nfs/dbraw/zinc/36/29/49/1068362949.db2.gz JVAXKUJNLVFGCF-HXUWFJFHSA-N 0 0 457.552 4.532 20 5 JJBDRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001463363179 1068372075 /nfs/dbraw/zinc/37/20/75/1068372075.db2.gz XJVZSTVXZXFSSJ-GOSISDBHSA-N 0 0 451.951 4.746 20 5 JJBDRN CCC(C)(C)c1ccc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC001463376081 1068376525 /nfs/dbraw/zinc/37/65/25/1068376525.db2.gz SHZDGFJXEAGELR-UHFFFAOYSA-N 0 0 455.374 4.832 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1cc(C)c(OCc3ccccc3)c(C)c1)CC2 ZINC001463400423 1068384897 /nfs/dbraw/zinc/38/48/97/1068384897.db2.gz DSFLSKVWPOEELJ-UHFFFAOYSA-N 0 0 452.532 4.850 20 5 JJBDRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001463407796 1068387039 /nfs/dbraw/zinc/38/70/39/1068387039.db2.gz ZFESSLIPMNXEMQ-NSHDSACASA-N 0 0 452.319 4.758 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001463505210 1068421986 /nfs/dbraw/zinc/42/19/86/1068421986.db2.gz NZLVLKIXSSDCKU-OAHLLOKOSA-N 0 0 456.364 4.758 20 5 JJBDRN O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001463538517 1068433815 /nfs/dbraw/zinc/43/38/15/1068433815.db2.gz BYSHLKMLDOBTIN-UHFFFAOYSA-N 0 0 453.848 4.647 20 5 JJBDRN CCc1ccc(S(=O)(=O)N(C)[C@H](CC)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC001463551384 1068438849 /nfs/dbraw/zinc/43/88/49/1068438849.db2.gz GHDVPDQFHYGILV-MRXNPFEDSA-N 0 0 455.374 4.562 20 5 JJBDRN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001463603546 1068462604 /nfs/dbraw/zinc/46/26/04/1068462604.db2.gz BUECFUKYNJDTGY-CQSZACIVSA-N 0 0 453.731 4.563 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC001463610884 1068465449 /nfs/dbraw/zinc/46/54/49/1068465449.db2.gz PRYUXGLFTRLAAV-KRWDZBQOSA-N 0 0 453.358 4.808 20 5 JJBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463611571 1068466249 /nfs/dbraw/zinc/46/62/49/1068466249.db2.gz ZZPPWDBJIWDGGA-HNNXBMFYSA-N 0 0 453.731 4.563 20 5 JJBDRN C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC001463662908 1068487125 /nfs/dbraw/zinc/48/71/25/1068487125.db2.gz JDVFELQUSNFKIE-GFCCVEGCSA-N 0 0 451.863 4.614 20 5 JJBDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc2C)c1 ZINC001463673322 1068489807 /nfs/dbraw/zinc/48/98/07/1068489807.db2.gz IZWAACMRHKCPQK-UHFFFAOYSA-N 0 0 453.520 4.882 20 5 JJBDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2C)c1 ZINC001463676312 1068490494 /nfs/dbraw/zinc/49/04/94/1068490494.db2.gz SKVYYBGMQVUSDJ-UKTHLTGXSA-N 0 0 451.504 4.664 20 5 JJBDRN COCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001463690622 1068495483 /nfs/dbraw/zinc/49/54/83/1068495483.db2.gz GCKOOBCQWMTLNT-CQSZACIVSA-N 0 0 453.731 4.611 20 5 JJBDRN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 ZINC001463692990 1068496108 /nfs/dbraw/zinc/49/61/08/1068496108.db2.gz NCSUGVNEINWHJB-CYBMUJFWSA-N 0 0 453.358 4.618 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC001463700389 1068499033 /nfs/dbraw/zinc/49/90/33/1068499033.db2.gz MNYHSFTWGJUAEU-UHFFFAOYSA-N 0 0 458.348 4.812 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001463703718 1068500454 /nfs/dbraw/zinc/50/04/54/1068500454.db2.gz HSTVOZMHNBVQTK-INIZCTEOSA-N 0 0 459.749 4.927 20 5 JJBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001463705983 1068500988 /nfs/dbraw/zinc/50/09/88/1068500988.db2.gz JEDXGLZXIFBOMX-UHFFFAOYSA-N 0 0 453.358 4.804 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccc(OCC2CC2)c(Cl)c1 ZINC001463763748 1068516411 /nfs/dbraw/zinc/51/64/11/1068516411.db2.gz JQSKLZNKERGXIE-UHFFFAOYSA-N 0 0 451.806 4.824 20 5 JJBDRN Cc1nc(-c2ccc(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)s2)cs1 ZINC001463796835 1068527358 /nfs/dbraw/zinc/52/73/58/1068527358.db2.gz SHULIIDHEFPFHH-UHFFFAOYSA-N 0 0 456.318 4.920 20 5 JJBDRN Cc1cccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC001463802766 1068530817 /nfs/dbraw/zinc/53/08/17/1068530817.db2.gz ZSVYBIJHAFTUAW-UHFFFAOYSA-N 0 0 451.473 4.729 20 5 JJBDRN Cc1ccc(S(=O)(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)c(C)c1[N+](=O)[O-] ZINC001463980602 1068580832 /nfs/dbraw/zinc/58/08/32/1068580832.db2.gz XVOIDZBKRKCZFB-UHFFFAOYSA-N 0 0 458.458 4.510 20 5 JJBDRN CC[C@@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001464056331 1068601836 /nfs/dbraw/zinc/60/18/36/1068601836.db2.gz QCPYNYDWBANTMX-IBGZPJMESA-N 0 0 453.358 4.533 20 5 JJBDRN CCN(CC)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccsc1 ZINC001464138089 1068629830 /nfs/dbraw/zinc/62/98/30/1068629830.db2.gz CHTVUECGJGHIHS-OAQYLSRUSA-N 0 0 455.530 4.834 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001464138142 1068630667 /nfs/dbraw/zinc/63/06/67/1068630667.db2.gz QIBFLGXXRPIBNI-IBGZPJMESA-N 0 0 452.338 4.624 20 5 JJBDRN CN([C@@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001464195124 1068651485 /nfs/dbraw/zinc/65/14/85/1068651485.db2.gz PPAVHWWNOIKQNT-AWEZNQCLSA-N 0 0 453.294 4.789 20 5 JJBDRN Cc1ccc(C)c(SCC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001464290755 1068693402 /nfs/dbraw/zinc/69/34/02/1068693402.db2.gz QOKFCKODHWEKGP-FQEVSTJZSA-N 0 0 456.564 4.932 20 5 JJBDRN CNc1ccc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1[N+](=O)[O-] ZINC001464306900 1068699591 /nfs/dbraw/zinc/69/95/91/1068699591.db2.gz YOANZJIKIJQPLO-UHFFFAOYSA-N 0 0 452.414 4.835 20 5 JJBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@H]1c1cccc(Br)c1 ZINC001464319894 1068704150 /nfs/dbraw/zinc/70/41/50/1068704150.db2.gz UPQBONWNCSKIKX-SFHVURJKSA-N 0 0 459.275 4.659 20 5 JJBDRN COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCCC1 ZINC001464331855 1068709035 /nfs/dbraw/zinc/70/90/35/1068709035.db2.gz KVXTXCHLBZKWPC-GOSISDBHSA-N 0 0 452.338 4.867 20 5 JJBDRN COc1ccccc1[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCCC1 ZINC001464331858 1068709072 /nfs/dbraw/zinc/70/90/72/1068709072.db2.gz KVXTXCHLBZKWPC-SFHVURJKSA-N 0 0 452.338 4.867 20 5 JJBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)c1 ZINC001464386409 1068727345 /nfs/dbraw/zinc/72/73/45/1068727345.db2.gz UQUCMELMNFTZJG-UHFFFAOYSA-N 0 0 454.838 4.797 20 5 JJBDRN CC(C)(C)c1ccc(-c2csc(NC(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001464388437 1068727633 /nfs/dbraw/zinc/72/76/33/1068727633.db2.gz TXXNNSILKMBTCY-UHFFFAOYSA-N 0 0 453.524 4.776 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)c(Cl)cc1Cl ZINC001464492948 1068765808 /nfs/dbraw/zinc/76/58/08/1068765808.db2.gz BUIMBDCQADKWFG-CYBMUJFWSA-N 0 0 451.372 4.530 20 5 JJBDRN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001464543377 1068777409 /nfs/dbraw/zinc/77/74/09/1068777409.db2.gz GZRFDWJWNUOISA-XQBPLPMBSA-N 0 0 451.567 4.933 20 5 JJBDRN COc1c(C)cnc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1C ZINC001464614587 1068799861 /nfs/dbraw/zinc/79/98/61/1068799861.db2.gz WRMUXIDIFVUBIE-UHFFFAOYSA-N 0 0 454.914 4.811 20 5 JJBDRN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001464627531 1068803011 /nfs/dbraw/zinc/80/30/11/1068803011.db2.gz SXFPZDSMLYFVHW-UHFFFAOYSA-N 0 0 456.307 4.531 20 5 JJBDRN O=C(NCCN1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001464634717 1068805438 /nfs/dbraw/zinc/80/54/38/1068805438.db2.gz IRFSLOQGSIZBFA-UHFFFAOYSA-N 0 0 450.926 4.606 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1I ZINC000014816983 525237868 /nfs/dbraw/zinc/23/78/68/525237868.db2.gz SLLOEUWWGUFKBG-UHFFFAOYSA-N 0 0 461.053 4.523 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164664541 719348520 /nfs/dbraw/zinc/34/85/20/719348520.db2.gz XPCOASSFSODUBH-UHFFFAOYSA-N 0 0 468.561 4.838 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001164663422 719348732 /nfs/dbraw/zinc/34/87/32/719348732.db2.gz GKAOBSROIMZQPT-UHFFFAOYSA-N 0 0 468.561 4.838 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164658972 719353105 /nfs/dbraw/zinc/35/31/05/719353105.db2.gz NSEDVEXOBACRFG-UHFFFAOYSA-N 0 0 468.561 4.838 20 5 JJBDRN Cc1nc([C@H]2COCCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)cs1 ZINC001164753529 720865687 /nfs/dbraw/zinc/86/56/87/720865687.db2.gz XCWQYMIKYYILLK-QGZVFWFLSA-N 0 0 467.885 4.593 20 5 JJBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779961 721347984 /nfs/dbraw/zinc/34/79/84/721347984.db2.gz XCEBPMMUOIWILL-XMMPIXPASA-N 0 0 485.972 4.520 20 5 JJBDRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccsc1 ZINC001164882800 721359882 /nfs/dbraw/zinc/35/98/82/721359882.db2.gz LCCFRCLSZXJNIU-ZWKOTPCHSA-N 0 0 491.907 4.696 20 5 JJBDRN COCCN1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)Cc2cccnc21 ZINC001164886841 721370014 /nfs/dbraw/zinc/37/00/14/721370014.db2.gz OSHOKWPBYIAOAN-UHFFFAOYSA-N 0 0 489.910 4.723 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164780440 721439648 /nfs/dbraw/zinc/43/96/48/721439648.db2.gz AGQKPMRHVTXKFT-IYBDPMFKSA-N 0 0 491.951 4.880 20 5 JJBDRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CCO3)cs1 ZINC001164784949 721443731 /nfs/dbraw/zinc/44/37/31/721443731.db2.gz RBLHFCRVDWHQOF-AUUYWEPGSA-N 0 0 488.944 4.545 20 5 JJBDRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164902340 721571651 /nfs/dbraw/zinc/57/16/51/721571651.db2.gz KIKAJLFJYPLSHJ-SFHVURJKSA-N 0 0 464.900 4.550 20 5 JJBDRN Cc1cnc2n1CCN(C)C21CCN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])CC1 ZINC001164918701 721821788 /nfs/dbraw/zinc/82/17/88/721821788.db2.gz HFTHKRPIYUTGQD-UHFFFAOYSA-N 0 0 498.587 4.668 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1CCCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001165050773 721994016 /nfs/dbraw/zinc/99/40/16/721994016.db2.gz AODBFVRERIUDBN-AWEZNQCLSA-N 0 0 468.888 4.808 20 5 JJBDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)C1 ZINC001359728600 1064276504 /nfs/dbraw/zinc/27/65/04/1064276504.db2.gz GYYAWUUQQGYCIF-NRFANRHFSA-N 0 0 468.602 4.518 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001545869273 1064280561 /nfs/dbraw/zinc/28/05/61/1064280561.db2.gz HYYAPJHJAKXUTE-MRXNPFEDSA-N 0 0 454.939 4.803 20 5 JJBDRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359738714 1064303046 /nfs/dbraw/zinc/30/30/46/1064303046.db2.gz BHANSLKCVXQXAU-PZJWPPBQSA-N 0 0 498.628 4.983 20 5 JJBDRN COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001434882792 1064315025 /nfs/dbraw/zinc/31/50/25/1064315025.db2.gz IJNRBNSHNIAGPY-UHFFFAOYSA-N 0 0 458.430 4.612 20 5 JJBDRN COC(=O)COc1cccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 ZINC001434891749 1064321651 /nfs/dbraw/zinc/32/16/51/1064321651.db2.gz QLPFTNJTHBLTDW-UHFFFAOYSA-N 0 0 452.488 4.859 20 5 JJBDRN Cc1cc(C(F)(F)F)n2nc(C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)cc2n1 ZINC001434892938 1064322255 /nfs/dbraw/zinc/32/22/55/1064322255.db2.gz AGAACTGIJGVJSZ-UHFFFAOYSA-N 0 0 453.808 4.675 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 ZINC001434915592 1064342674 /nfs/dbraw/zinc/34/26/74/1064342674.db2.gz NCGVOGFAZNGNOJ-HXUWFJFHSA-N 0 0 452.555 4.535 20 5 JJBDRN CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001359756904 1064355629 /nfs/dbraw/zinc/35/56/29/1064355629.db2.gz ACHGVNSQBQONTI-NQIIRXRSSA-N 0 0 470.961 4.599 20 5 JJBDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CCOCC1 ZINC001359762795 1064376656 /nfs/dbraw/zinc/37/66/56/1064376656.db2.gz ZFWWAJFYSWQRER-FYYLOGMGSA-N 0 0 471.602 4.557 20 5 JJBDRN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001434977890 1064393564 /nfs/dbraw/zinc/39/35/64/1064393564.db2.gz YSDICHFQYJIGDS-QHCPKHFHSA-N 0 0 459.502 4.659 20 5 JJBDRN CCCCN(Cc1ccccc1F)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001434994308 1064409065 /nfs/dbraw/zinc/40/90/65/1064409065.db2.gz IVDZTCJHHWODOQ-UHFFFAOYSA-N 0 0 452.324 4.762 20 5 JJBDRN CCCCN(Cc1ccccc1F)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001434994396 1064409148 /nfs/dbraw/zinc/40/91/48/1064409148.db2.gz KVHIQJOMZKYFNX-UHFFFAOYSA-N 0 0 456.255 4.781 20 5 JJBDRN CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359781311 1064432390 /nfs/dbraw/zinc/43/23/90/1064432390.db2.gz CUDLOLXOWCGMSC-UHFFFAOYSA-N 0 0 452.559 4.642 20 5 JJBDRN Cc1cc(F)cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001435015528 1064432444 /nfs/dbraw/zinc/43/24/44/1064432444.db2.gz BVELCQDGDKYIBE-CHWSQXEVSA-N 0 0 455.408 4.927 20 5 JJBDRN O=C(CCSc1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435027283 1064444692 /nfs/dbraw/zinc/44/46/92/1064444692.db2.gz QIRGQCTUHPZWHC-UHFFFAOYSA-N 0 0 457.449 4.584 20 5 JJBDRN O=C(c1scnc1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435029401 1064446362 /nfs/dbraw/zinc/44/63/62/1064446362.db2.gz DBSOEFFFIHNKCQ-UHFFFAOYSA-N 0 0 454.474 4.690 20 5 JJBDRN COc1cccc(C(F)F)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435032865 1064450020 /nfs/dbraw/zinc/45/00/20/1064450020.db2.gz VZRBFQGVVHNOLY-UHFFFAOYSA-N 0 0 459.371 4.522 20 5 JJBDRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001435047748 1064463762 /nfs/dbraw/zinc/46/37/62/1064463762.db2.gz SJVPFJUBLPJHGN-NRFANRHFSA-N 0 0 456.974 4.633 20 5 JJBDRN CC[C@H](C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048522 1064465680 /nfs/dbraw/zinc/46/56/80/1064465680.db2.gz DIXOAVGHIUFILU-BTYIYWSLSA-N 0 0 458.946 4.632 20 5 JJBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001435068477 1064489346 /nfs/dbraw/zinc/48/93/46/1064489346.db2.gz DSDASCIVVXCMBE-UHFFFAOYSA-N 0 0 452.854 4.503 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359812941 1064489448 /nfs/dbraw/zinc/48/94/48/1064489448.db2.gz UAJYIAMDSKGCGY-UYAOXDASSA-N 0 0 487.649 4.653 20 5 JJBDRN CC[C@@H](C)n1c(SCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nnc1-c1ccccc1 ZINC001359814192 1064491144 /nfs/dbraw/zinc/49/11/44/1064491144.db2.gz XIIVESDKDHIQET-MRXNPFEDSA-N 0 0 451.552 4.896 20 5 JJBDRN CC(C)(C)c1ccc(N2CCC(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001435069904 1064491290 /nfs/dbraw/zinc/49/12/90/1064491290.db2.gz TWYKEIYEMNDTSE-UHFFFAOYSA-N 0 0 454.527 4.518 20 5 JJBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC001435073847 1064496548 /nfs/dbraw/zinc/49/65/48/1064496548.db2.gz HGHLUWOEBWWELF-UHFFFAOYSA-N 0 0 458.543 4.915 20 5 JJBDRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001359838351 1064525269 /nfs/dbraw/zinc/52/52/69/1064525269.db2.gz ZIGKMVRGYRNUGU-ASSNKEHSSA-N 0 0 457.930 4.520 20 5 JJBDRN COc1cccc(CCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)c1F ZINC001435119224 1064525884 /nfs/dbraw/zinc/52/58/84/1064525884.db2.gz LHKYIESDCHSNDZ-UHFFFAOYSA-N 0 0 450.426 4.760 20 5 JJBDRN COc1cc(F)c([C@H](C)NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC001435119727 1064525918 /nfs/dbraw/zinc/52/59/18/1064525918.db2.gz IMRQQLPWSAPUKJ-JYJNAYRXSA-N 0 0 459.518 4.724 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cc1[N+](=O)[O-] ZINC001359843253 1064530207 /nfs/dbraw/zinc/53/02/07/1064530207.db2.gz SAXSNHDWISDAIR-UHFFFAOYSA-N 0 0 452.414 4.777 20 5 JJBDRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001435125890 1064531729 /nfs/dbraw/zinc/53/17/29/1064531729.db2.gz FSHZQWRWSFOVRE-OAHLLOKOSA-N 0 0 458.467 4.575 20 5 JJBDRN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC001435126124 1064531819 /nfs/dbraw/zinc/53/18/19/1064531819.db2.gz NXGWWOIDZJPPIT-CTNGQTDRSA-N 0 0 458.511 4.521 20 5 JJBDRN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(C)C ZINC001435134959 1064538171 /nfs/dbraw/zinc/53/81/71/1064538171.db2.gz CCHCJUMANXZVCX-QRQCRPRQSA-N 0 0 453.470 4.655 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC001359857677 1064544633 /nfs/dbraw/zinc/54/46/33/1064544633.db2.gz CFJALXVXCIZXAV-DQEYMECFSA-N 0 0 458.518 4.683 20 5 JJBDRN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC001359857779 1064544825 /nfs/dbraw/zinc/54/48/25/1064544825.db2.gz CFJALXVXCIZXAV-LOSJGSFVSA-N 0 0 458.518 4.683 20 5 JJBDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001359858795 1064545833 /nfs/dbraw/zinc/54/58/33/1064545833.db2.gz RBCZPGLYTXSHCO-NRFANRHFSA-N 0 0 453.882 4.682 20 5 JJBDRN O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001359861962 1064552904 /nfs/dbraw/zinc/55/29/04/1064552904.db2.gz MRJWQAKDSJXSCS-UHFFFAOYSA-N 0 0 452.319 4.763 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001435163039 1064558758 /nfs/dbraw/zinc/55/87/58/1064558758.db2.gz OXJNHSGKGZQDEV-UHFFFAOYSA-N 0 0 459.911 4.736 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC001359875282 1064565279 /nfs/dbraw/zinc/56/52/79/1064565279.db2.gz IYIGALNBBQGXFG-UHFFFAOYSA-N 0 0 454.280 4.915 20 5 JJBDRN O=C(Nc1ccc(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)C1CCCCC1 ZINC001435173524 1064567693 /nfs/dbraw/zinc/56/76/93/1064567693.db2.gz ABCSNZWNXOJQNU-UHFFFAOYSA-N 0 0 451.523 4.936 20 5 JJBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(CSC2CCCCC2)c1 ZINC001435176152 1064569386 /nfs/dbraw/zinc/56/93/86/1064569386.db2.gz PRTZHWCGKHZQPR-UHFFFAOYSA-N 0 0 455.536 4.525 20 5 JJBDRN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001359879914 1064573428 /nfs/dbraw/zinc/57/34/28/1064573428.db2.gz HTVHEGURBUNDNB-UHFFFAOYSA-N 0 0 454.389 4.675 20 5 JJBDRN O=C(Nc1cc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1I ZINC001435195471 1064583849 /nfs/dbraw/zinc/58/38/49/1064583849.db2.gz NQKFMDJHVOEMAV-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN O=C(Nc1cccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 ZINC001435203589 1064589510 /nfs/dbraw/zinc/58/95/10/1064589510.db2.gz VHBPCDIPOZYKFX-QHCPKHFHSA-N 0 0 451.479 4.874 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC001435207295 1064591944 /nfs/dbraw/zinc/59/19/44/1064591944.db2.gz LBCVCXFAEZVXKE-UHFFFAOYSA-N 0 0 456.667 4.580 20 5 JJBDRN CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214221 1064595114 /nfs/dbraw/zinc/59/51/14/1064595114.db2.gz VALSUTJNUIERBO-JOCHJYFZSA-N 0 0 452.442 4.987 20 5 JJBDRN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@H](C)NC(=O)OC(C)(C)C ZINC001435222177 1064603315 /nfs/dbraw/zinc/60/33/15/1064603315.db2.gz SISONVHPRWDXKX-BLLLJJGKSA-N 0 0 459.337 4.586 20 5 JJBDRN CC(C)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001359898827 1064603967 /nfs/dbraw/zinc/60/39/67/1064603967.db2.gz HGDQNORULOHSQS-SFHVURJKSA-N 0 0 485.564 4.940 20 5 JJBDRN Cc1ccc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC001435223884 1064604703 /nfs/dbraw/zinc/60/47/03/1064604703.db2.gz YSJZBKLCZOZPAD-GOSISDBHSA-N 0 0 450.276 4.875 20 5 JJBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001435229468 1064608587 /nfs/dbraw/zinc/60/85/87/1064608587.db2.gz DSDJRQSYZVFNEJ-UHFFFAOYSA-N 0 0 459.817 4.947 20 5 JJBDRN CCC[C@H](C)N(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001435231328 1064610867 /nfs/dbraw/zinc/61/08/67/1064610867.db2.gz MFMUHKURYKDFPQ-LBPRGKRZSA-N 0 0 455.483 4.850 20 5 JJBDRN COC(=O)c1cccc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1 ZINC001435232594 1064612966 /nfs/dbraw/zinc/61/29/66/1064612966.db2.gz RQRDDVDZBXSHJR-UHFFFAOYSA-N 0 0 458.829 4.896 20 5 JJBDRN C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1-c1ccc(Cl)cc1 ZINC001435232670 1064613059 /nfs/dbraw/zinc/61/30/59/1064613059.db2.gz LFMQFNKGWPWROI-CQSZACIVSA-N 0 0 451.866 4.701 20 5 JJBDRN Cc1c(Br)cc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1[N+](=O)[O-] ZINC001435236343 1064616436 /nfs/dbraw/zinc/61/64/36/1064616436.db2.gz ZBDOTGGYFAMBSW-CYBMUJFWSA-N 0 0 450.333 4.804 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC001435237643 1064617431 /nfs/dbraw/zinc/61/74/31/1064617431.db2.gz QEQQSXLBGNKYIT-JTQLQIEISA-N 0 0 452.323 4.672 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC001359907080 1064622478 /nfs/dbraw/zinc/62/24/78/1064622478.db2.gz UEQJDHKJLZZUNM-UHFFFAOYSA-N 0 0 456.886 4.892 20 5 JJBDRN Cc1cc(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001359916713 1064638220 /nfs/dbraw/zinc/63/82/20/1064638220.db2.gz GAMAKSRTQZAKMX-NRFANRHFSA-N 0 0 453.539 4.945 20 5 JJBDRN CCOC(=O)[C@H](C)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC001435274518 1064653173 /nfs/dbraw/zinc/65/31/73/1064653173.db2.gz UAEYDTXOBPTMCW-UKJPIOLTSA-N 0 0 459.502 4.701 20 5 JJBDRN CCOC(=O)[C@H](C)NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1 ZINC001435274519 1064653190 /nfs/dbraw/zinc/65/31/90/1064653190.db2.gz UAEYDTXOBPTMCW-XIGQLOAZSA-N 0 0 459.502 4.701 20 5 JJBDRN CC(C)CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)c1ccsc1)C1CC1 ZINC001359923723 1064653712 /nfs/dbraw/zinc/65/37/12/1064653712.db2.gz UDCFNCYZHGMSIS-HSZRJFAPSA-N 0 0 455.584 4.837 20 5 JJBDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001359925843 1064657266 /nfs/dbraw/zinc/65/72/66/1064657266.db2.gz RTHFZFDKMSFDFY-UHFFFAOYSA-N 0 0 450.495 4.800 20 5 JJBDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC001435290226 1064665608 /nfs/dbraw/zinc/66/56/08/1064665608.db2.gz HDGHPVFTZJDPJT-UHFFFAOYSA-N 0 0 458.467 4.881 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC001435295668 1064671858 /nfs/dbraw/zinc/67/18/58/1064671858.db2.gz CDPMUBGYHVOSNP-MSOLQXFVSA-N 0 0 456.506 4.840 20 5 JJBDRN COc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435299275 1064674473 /nfs/dbraw/zinc/67/44/73/1064674473.db2.gz XBQIMCSCTHZPMY-HNNXBMFYSA-N 0 0 456.445 4.994 20 5 JJBDRN Cn1nc(C(F)(F)F)c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cnc21 ZINC001435300626 1064675977 /nfs/dbraw/zinc/67/59/77/1064675977.db2.gz IDVSIFGIGATXCK-UHFFFAOYSA-N 0 0 455.396 4.742 20 5 JJBDRN COc1cc(C(=O)N[C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435317019 1064690246 /nfs/dbraw/zinc/69/02/46/1064690246.db2.gz LECCSTLSLNRJGP-NRFANRHFSA-N 0 0 453.520 4.828 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC001435323948 1064697349 /nfs/dbraw/zinc/69/73/49/1064697349.db2.gz PLNOVRMBKBXGJC-FZKQIMNGSA-N 0 0 450.322 4.692 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC001435323950 1064697375 /nfs/dbraw/zinc/69/73/75/1064697375.db2.gz PLNOVRMBKBXGJC-SCLBCKFNSA-N 0 0 450.322 4.692 20 5 JJBDRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N2C(=O)OC(C)(C)C ZINC001435325309 1064698004 /nfs/dbraw/zinc/69/80/04/1064698004.db2.gz UOVKNNREIWUBJS-QVKFZJNVSA-N 0 0 457.502 4.894 20 5 JJBDRN CC(C)(Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001435333075 1064704890 /nfs/dbraw/zinc/70/48/90/1064704890.db2.gz NITNCQSLXNKYSH-UHFFFAOYSA-N 0 0 456.134 4.871 20 5 JJBDRN O=C(CC[C@@H]1CCOC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435351943 1064718527 /nfs/dbraw/zinc/71/85/27/1064718527.db2.gz MDZXWVXZMFEJSY-GFCCVEGCSA-N 0 0 453.278 4.876 20 5 JJBDRN COc1cc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001435378679 1064730750 /nfs/dbraw/zinc/73/07/50/1064730750.db2.gz ZNGPQGCEEXMBND-KRWDZBQOSA-N 0 0 459.502 4.884 20 5 JJBDRN C[C@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001435384967 1064733485 /nfs/dbraw/zinc/73/34/85/1064733485.db2.gz LEKIREIJYSZGRB-HNNXBMFYSA-N 0 0 451.429 4.703 20 5 JJBDRN O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001435389651 1064735465 /nfs/dbraw/zinc/73/54/65/1064735465.db2.gz COXHOTXWIJKZFA-QGZVFWFLSA-N 0 0 450.422 4.623 20 5 JJBDRN O=C(Nc1ccc(F)cc1I)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001435395717 1064738162 /nfs/dbraw/zinc/73/81/62/1064738162.db2.gz ANJRBHWARPNFPD-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN O=C(NCc1ccccc1Oc1cccc(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001359968980 1064744908 /nfs/dbraw/zinc/74/49/08/1064744908.db2.gz OCSKTOGOFWZLSD-UHFFFAOYSA-N 0 0 450.401 4.781 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC001435430271 1064752153 /nfs/dbraw/zinc/75/21/53/1064752153.db2.gz ZKXBITSPHRRFDH-UHFFFAOYSA-N 0 0 459.256 4.546 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 ZINC001435458325 1064768510 /nfs/dbraw/zinc/76/85/10/1064768510.db2.gz AVKYXTPSJPHRAO-BETUJISGSA-N 0 0 456.490 4.825 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)cc2[N+](=O)[O-])cc1 ZINC001435474607 1064779133 /nfs/dbraw/zinc/77/91/33/1064779133.db2.gz IGXHJOGMQWMRQH-UHFFFAOYSA-N 0 0 454.529 4.637 20 5 JJBDRN CC(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001359995280 1064780210 /nfs/dbraw/zinc/78/02/10/1064780210.db2.gz GNUQUQBOSPKHML-UHFFFAOYSA-N 0 0 451.575 4.845 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)cc2[N+](=O)[O-])n1 ZINC001435481380 1064782963 /nfs/dbraw/zinc/78/29/63/1064782963.db2.gz HBQLHWQPSUVJKF-MRXNPFEDSA-N 0 0 451.570 4.607 20 5 JJBDRN O=C(Nc1cc(Br)ccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001435488289 1064786409 /nfs/dbraw/zinc/78/64/09/1064786409.db2.gz SOGMGLVINFAXKV-UHFFFAOYSA-N 0 0 456.243 4.811 20 5 JJBDRN C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001435523907 1064806320 /nfs/dbraw/zinc/80/63/20/1064806320.db2.gz LWMYUOFKLUARGG-KNQAVFIVSA-N 0 0 451.567 4.599 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC001435524757 1064807331 /nfs/dbraw/zinc/80/73/31/1064807331.db2.gz YPKCGFPGGGYOMG-JTQLQIEISA-N 0 0 457.683 4.502 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001435548784 1064822931 /nfs/dbraw/zinc/82/29/31/1064822931.db2.gz LPFHLZYJCIRIKL-KYNGSXCRSA-N 0 0 451.951 4.823 20 5 JJBDRN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435567049 1064838053 /nfs/dbraw/zinc/83/80/53/1064838053.db2.gz RONDYKRCYGSJOR-LEWJYISDSA-N 0 0 459.546 4.909 20 5 JJBDRN C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001435568075 1064838581 /nfs/dbraw/zinc/83/85/81/1064838581.db2.gz ZUXIXUOWVJYWLG-QGZVFWFLSA-N 0 0 450.516 4.998 20 5 JJBDRN O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001435567399 1064838786 /nfs/dbraw/zinc/83/87/86/1064838786.db2.gz YEMQZARAMDBOHK-UHFFFAOYSA-N 0 0 455.308 4.909 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC001435616422 1064878532 /nfs/dbraw/zinc/87/85/32/1064878532.db2.gz CLFOBUKXUQCZMG-QUCCMNQESA-N 0 0 456.543 4.764 20 5 JJBDRN CCS[C@H]1CCCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC001360052354 1064880555 /nfs/dbraw/zinc/88/05/55/1064880555.db2.gz SUPOFTFRLZKVDD-KRWDZBQOSA-N 0 0 459.534 4.964 20 5 JJBDRN CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCC(F)(F)CC2)C1 ZINC001360058671 1064895242 /nfs/dbraw/zinc/89/52/42/1064895242.db2.gz UJBSTRPRGQGUPS-HXUWFJFHSA-N 0 0 463.529 4.930 20 5 JJBDRN CC(C)COCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001360066848 1064910221 /nfs/dbraw/zinc/91/02/21/1064910221.db2.gz PKBRAVAGMHIMAS-UHFFFAOYSA-N 0 0 487.992 4.607 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001435656164 1064912426 /nfs/dbraw/zinc/91/24/26/1064912426.db2.gz IFCWAHDYQCYDPA-UHFFFAOYSA-N 0 0 454.914 4.641 20 5 JJBDRN Cc1nn(CC(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001435662767 1064916146 /nfs/dbraw/zinc/91/61/46/1064916146.db2.gz XUKYFTLZUSAVHA-UHFFFAOYSA-N 0 0 450.417 4.842 20 5 JJBDRN CCOC(=O)c1cc(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1 ZINC001435670795 1064923594 /nfs/dbraw/zinc/92/35/94/1064923594.db2.gz GQZHAXYAKBHXGL-UHFFFAOYSA-N 0 0 454.479 4.992 20 5 JJBDRN CC(C)CN(C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435673380 1064926553 /nfs/dbraw/zinc/92/65/53/1064926553.db2.gz JURZCFDJYQUTDE-QVKFZJNVSA-N 0 0 453.520 4.936 20 5 JJBDRN CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435673385 1064926595 /nfs/dbraw/zinc/92/65/95/1064926595.db2.gz JWPKYNMFVHUAKN-UHFFFAOYSA-N 0 0 452.370 4.922 20 5 JJBDRN CN(C(=O)Cc1csc(CCC(F)(F)F)n1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435675345 1064927882 /nfs/dbraw/zinc/92/78/82/1064927882.db2.gz UJJFNPOIXZZQMU-UHFFFAOYSA-N 0 0 456.471 4.875 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001435698955 1064945146 /nfs/dbraw/zinc/94/51/46/1064945146.db2.gz FNMHCGIZTXSJPB-FQEVSTJZSA-N 0 0 459.930 4.789 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1OCC(F)F ZINC001435723404 1064955650 /nfs/dbraw/zinc/95/56/50/1064955650.db2.gz YEQDHHKCIRQVLQ-UHFFFAOYSA-N 0 0 451.323 4.837 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001435733982 1064963736 /nfs/dbraw/zinc/96/37/36/1064963736.db2.gz WMWYWRBZSMTXDP-IRXDYDNUSA-N 0 0 455.511 4.762 20 5 JJBDRN CC[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC001435741508 1064966888 /nfs/dbraw/zinc/96/68/88/1064966888.db2.gz LYBLWUMCPROGCJ-SFHVURJKSA-N 0 0 451.483 4.924 20 5 JJBDRN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC001435746421 1064970769 /nfs/dbraw/zinc/97/07/69/1064970769.db2.gz DPGCHKLEWWZEAI-QHCPKHFHSA-N 0 0 458.470 4.742 20 5 JJBDRN COC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1 ZINC001360097208 1064973023 /nfs/dbraw/zinc/97/30/23/1064973023.db2.gz ZWOGTFLBVUKKDG-INIZCTEOSA-N 0 0 451.426 4.855 20 5 JJBDRN COC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001360097072 1064973148 /nfs/dbraw/zinc/97/31/48/1064973148.db2.gz UUHLKTVGKWRQNB-JTQLQIEISA-N 0 0 453.236 4.555 20 5 JJBDRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Br)c1 ZINC001435765502 1064981812 /nfs/dbraw/zinc/98/18/12/1064981812.db2.gz NLXRSTWNULTCSE-JTQLQIEISA-N 0 0 458.106 4.834 20 5 JJBDRN CC(C)c1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC001360106173 1064987254 /nfs/dbraw/zinc/98/72/54/1064987254.db2.gz URKCSYBQGMOBJM-UHFFFAOYSA-N 0 0 452.292 4.685 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 ZINC001360115716 1064998334 /nfs/dbraw/zinc/99/83/34/1064998334.db2.gz HXDPUYIUAAZGQW-UHFFFAOYSA-N 0 0 470.618 4.738 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001360115884 1064998479 /nfs/dbraw/zinc/99/84/79/1064998479.db2.gz NAYVZCOVBKCGFT-QGZVFWFLSA-N 0 0 474.606 4.812 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360115928 1064998972 /nfs/dbraw/zinc/99/89/72/1064998972.db2.gz OHYGBQOGUJAWAR-UHFFFAOYSA-N 0 0 482.629 4.908 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CSCCS1 ZINC001360116197 1065000212 /nfs/dbraw/zinc/00/02/12/1065000212.db2.gz XSRXTPNRORICCY-PMACEKPBSA-N 0 0 477.656 4.692 20 5 JJBDRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)C(=O)OC(C)(C)C ZINC001360119084 1065005849 /nfs/dbraw/zinc/00/58/49/1065005849.db2.gz WJLCWXTYYRNIHA-UHFFFAOYSA-N 0 0 484.557 4.728 20 5 JJBDRN COc1ccc(CSCC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC001435870149 1065035814 /nfs/dbraw/zinc/03/58/14/1065035814.db2.gz OAIWCLYJUHMMSW-INIZCTEOSA-N 0 0 454.470 4.872 20 5 JJBDRN Cc1ccnn1-c1ccccc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001435872784 1065037158 /nfs/dbraw/zinc/03/71/58/1065037158.db2.gz SSNIJTZOMDKXNW-UHFFFAOYSA-N 0 0 457.277 4.834 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001435897719 1065050881 /nfs/dbraw/zinc/05/08/81/1065050881.db2.gz TWEGAWTZEAAZEG-FPFWAFECSA-N 0 0 468.213 4.753 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc(-c2ccc(F)cc2)o1 ZINC001435897750 1065050892 /nfs/dbraw/zinc/05/08/92/1065050892.db2.gz URLCQKBGXBVSHO-UHFFFAOYSA-N 0 0 452.179 4.851 20 5 JJBDRN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001435898050 1065051410 /nfs/dbraw/zinc/05/14/10/1065051410.db2.gz YLWXQDMTDUICMV-UHFFFAOYSA-N 0 0 459.243 4.822 20 5 JJBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])C1CCC(OC[C@@H]2CCCO2)CC1 ZINC001435924147 1065065894 /nfs/dbraw/zinc/06/58/94/1065065894.db2.gz WNNGLZRLGSBGHZ-AOMIVXANSA-N 0 0 454.523 4.867 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC001360187252 1065072240 /nfs/dbraw/zinc/07/22/40/1065072240.db2.gz BUMRYFMOVBBMPW-UHFFFAOYSA-N 0 0 452.532 4.939 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cnc2ccc(Br)cc2c1 ZINC001435938979 1065073331 /nfs/dbraw/zinc/07/33/31/1065073331.db2.gz YIMAVBCAKWPDBP-SNVBAGLBSA-N 0 0 451.660 4.932 20 5 JJBDRN CSc1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC001435945107 1065075718 /nfs/dbraw/zinc/07/57/18/1065075718.db2.gz UFTLCMNVWFECLK-UHFFFAOYSA-N 0 0 453.486 4.868 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)c1 ZINC001435945347 1065075807 /nfs/dbraw/zinc/07/58/07/1065075807.db2.gz AYZOREYONXWYRI-UHFFFAOYSA-N 0 0 454.477 4.668 20 5 JJBDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC001360201954 1065078661 /nfs/dbraw/zinc/07/86/61/1065078661.db2.gz JKCLGHRVYGTMIQ-UHFFFAOYSA-N 0 0 458.559 4.565 20 5 JJBDRN COCN1C(=O)CCc2cc(NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)ccc21 ZINC001435960935 1065083381 /nfs/dbraw/zinc/08/33/81/1065083381.db2.gz OIQXGVJILRWNDG-UHFFFAOYSA-N 0 0 457.552 4.868 20 5 JJBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC001435974553 1065088148 /nfs/dbraw/zinc/08/81/48/1065088148.db2.gz HLOUFLXAWMAGDQ-UHFFFAOYSA-N 0 0 455.820 4.819 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C(C)(C)C)c(OC)c1 ZINC001435976016 1065089229 /nfs/dbraw/zinc/08/92/29/1065089229.db2.gz KCWDRCJSONSJRT-UHFFFAOYSA-N 0 0 451.317 4.815 20 5 JJBDRN O=C(N[C@H](CC1CCCCC1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001360233825 1065093727 /nfs/dbraw/zinc/09/37/27/1065093727.db2.gz RZKCSFAYXKJQKH-SIKLNZKXSA-N 0 0 453.514 4.915 20 5 JJBDRN O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001360251683 1065099229 /nfs/dbraw/zinc/09/92/29/1065099229.db2.gz CEKCQWPSJZWYOM-UHFFFAOYSA-N 0 0 457.418 4.758 20 5 JJBDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001360256209 1065102350 /nfs/dbraw/zinc/10/23/50/1065102350.db2.gz NQNRFFYVOVGDHE-HKBQPEDESA-N 0 0 458.458 4.835 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)cc2[N+](=O)[O-])n1 ZINC001360262333 1065106601 /nfs/dbraw/zinc/10/66/01/1065106601.db2.gz PYZLHXQWBHRGDB-HNNXBMFYSA-N 0 0 451.570 4.607 20 5 JJBDRN CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001436013951 1065112232 /nfs/dbraw/zinc/11/22/32/1065112232.db2.gz BRXONLXEJWDJNO-AUSIDOKSSA-N 0 0 451.567 4.693 20 5 JJBDRN CC[C@@H](C)c1ncc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC001436031100 1065127286 /nfs/dbraw/zinc/12/72/86/1065127286.db2.gz MABYYEJTYVFVEW-CYBMUJFWSA-N 0 0 451.449 4.772 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(c2ccc(Br)cc2)CC1 ZINC001436046307 1065141246 /nfs/dbraw/zinc/14/12/46/1065141246.db2.gz UUMNRWYUMADICL-UHFFFAOYSA-N 0 0 455.255 4.979 20 5 JJBDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001360317819 1065151197 /nfs/dbraw/zinc/15/11/97/1065151197.db2.gz IKMKJPIROCNNQT-UHFFFAOYSA-N 0 0 456.545 4.851 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001436083117 1065168846 /nfs/dbraw/zinc/16/88/46/1065168846.db2.gz YUHYWZOJUSWAJW-IBGZPJMESA-N 0 0 455.580 4.858 20 5 JJBDRN C[C@H](C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001436083054 1065168870 /nfs/dbraw/zinc/16/88/70/1065168870.db2.gz CWXWWYSQGBZRHG-ZDUSSCGKSA-N 0 0 456.392 4.558 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001436083753 1065168886 /nfs/dbraw/zinc/16/88/86/1065168886.db2.gz LWLYZYKEBUEQPJ-UHFFFAOYSA-N 0 0 458.820 4.511 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(OCC2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001360331157 1065175636 /nfs/dbraw/zinc/17/56/36/1065175636.db2.gz VMJDODMVMDFROX-XMMPIXPASA-N 0 0 455.511 4.762 20 5 JJBDRN Cc1c(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc(Br)cc1[N+](=O)[O-] ZINC001436103532 1065181274 /nfs/dbraw/zinc/18/12/74/1065181274.db2.gz ZTDZLZNGIZNAFU-UHFFFAOYSA-N 0 0 456.296 4.821 20 5 JJBDRN CC(C)c1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 ZINC001436115746 1065190393 /nfs/dbraw/zinc/19/03/93/1065190393.db2.gz LBXOUCLMLJPVLU-UHFFFAOYSA-N 0 0 450.392 4.992 20 5 JJBDRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001436137238 1065208095 /nfs/dbraw/zinc/20/80/95/1065208095.db2.gz XVASKJMPOMGFLV-MSOLQXFVSA-N 0 0 456.252 4.649 20 5 JJBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c(Br)cccc1[N+](=O)[O-] ZINC001436153021 1065217826 /nfs/dbraw/zinc/21/78/26/1065217826.db2.gz AUFBKJIOHDMCMA-TVQRCGJNSA-N 0 0 458.081 4.545 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC001360365687 1065223836 /nfs/dbraw/zinc/22/38/36/1065223836.db2.gz YCXIPITZAGOKES-HSZRJFAPSA-N 0 0 451.567 4.673 20 5 JJBDRN CC(C)OCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001360376321 1065234407 /nfs/dbraw/zinc/23/44/07/1065234407.db2.gz AHYXDUSNGVUGNQ-UHFFFAOYSA-N 0 0 459.591 4.842 20 5 JJBDRN CCOc1cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC ZINC001436182582 1065234458 /nfs/dbraw/zinc/23/44/58/1065234458.db2.gz UFCXWUGPHCOLKP-UHFFFAOYSA-N 0 0 453.904 4.682 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)s2)cc1 ZINC001360384000 1065246832 /nfs/dbraw/zinc/24/68/32/1065246832.db2.gz KLBCBUQSIUBQSX-GFCCVEGCSA-N 0 0 456.480 4.743 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl ZINC001436218327 1065259566 /nfs/dbraw/zinc/25/95/66/1065259566.db2.gz QHJNMRRVRLSWFE-UHFFFAOYSA-N 0 0 454.379 4.905 20 5 JJBDRN CCOc1cc(C(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC001436227667 1065266139 /nfs/dbraw/zinc/26/61/39/1065266139.db2.gz FPOYIOBIJFIAHO-MRXNPFEDSA-N 0 0 457.310 4.817 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001436230557 1065268645 /nfs/dbraw/zinc/26/86/45/1065268645.db2.gz VEAULVMWGRRRLS-SFHVURJKSA-N 0 0 455.294 4.586 20 5 JJBDRN COc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c2ccccc2Cl)c1 ZINC001360406589 1065269407 /nfs/dbraw/zinc/26/94/07/1065269407.db2.gz YVSWQIQJTPFPGA-OAQYLSRUSA-N 0 0 455.854 4.993 20 5 JJBDRN CC(C)SCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001360417227 1065280954 /nfs/dbraw/zinc/28/09/54/1065280954.db2.gz UBTLWOSXHLTPKS-UHFFFAOYSA-N 0 0 493.431 4.764 20 5 JJBDRN C[C@@]1(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1(Cl)Cl ZINC001436274765 1065284236 /nfs/dbraw/zinc/28/42/36/1065284236.db2.gz VHKKIKOFOVLOTN-OAHLLOKOSA-N 0 0 452.125 4.791 20 5 JJBDRN COc1cc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC001360432219 1065309280 /nfs/dbraw/zinc/30/92/80/1065309280.db2.gz KBQWBGGKIPPRRV-UHFFFAOYSA-N 0 0 459.458 4.874 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC001436428320 1065316501 /nfs/dbraw/zinc/31/65/01/1065316501.db2.gz NPWDUHZWOQKXTL-MGPUTAFESA-N 0 0 459.543 4.718 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001436462982 1065324498 /nfs/dbraw/zinc/32/44/98/1065324498.db2.gz IADLZTTWVOSEEP-UHFFFAOYSA-N 0 0 452.736 4.538 20 5 JJBDRN Cc1noc(C)c1COc1ccc(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC001360447202 1065336941 /nfs/dbraw/zinc/33/69/41/1065336941.db2.gz OIPSJUBMCBAGGT-HSZRJFAPSA-N 0 0 453.520 4.595 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC[C@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001436552912 1065358027 /nfs/dbraw/zinc/35/80/27/1065358027.db2.gz QFWIGBDVTHTJOH-IQGLISFBSA-N 0 0 453.539 4.571 20 5 JJBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccc(C(F)F)n1 ZINC001360461118 1065365293 /nfs/dbraw/zinc/36/52/93/1065365293.db2.gz NOBBGVWHAPERLK-ZDUSSCGKSA-N 0 0 471.493 4.888 20 5 JJBDRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001436566359 1065367143 /nfs/dbraw/zinc/36/71/43/1065367143.db2.gz GRKNFZLWRJXKOY-BDTNDASRSA-N 0 0 453.539 4.861 20 5 JJBDRN CCc1ccccc1[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001436581981 1065381147 /nfs/dbraw/zinc/38/11/47/1065381147.db2.gz PSIAAWHSAVUUFE-SFHVURJKSA-N 0 0 459.568 4.632 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1Cl ZINC001436622093 1065401448 /nfs/dbraw/zinc/40/14/48/1065401448.db2.gz JIEAKVZUEZKYOD-HXUWFJFHSA-N 0 0 459.930 4.991 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001436632538 1065408822 /nfs/dbraw/zinc/40/88/22/1065408822.db2.gz AMDHIMWVBNHWNJ-UHFFFAOYSA-N 0 0 455.511 4.727 20 5 JJBDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360498306 1065417213 /nfs/dbraw/zinc/41/72/13/1065417213.db2.gz QQXMKWFSYONVBF-MSOLQXFVSA-N 0 0 455.584 4.656 20 5 JJBDRN C[C@@H](Cc1cccs1)Cn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001360500541 1065422294 /nfs/dbraw/zinc/42/22/94/1065422294.db2.gz NLCHCFVUXFCTJV-SFHVURJKSA-N 0 0 464.595 4.811 20 5 JJBDRN Cc1c(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001436782488 1065440904 /nfs/dbraw/zinc/44/09/04/1065440904.db2.gz ZMIJHLPQRFMOFQ-QGZVFWFLSA-N 0 0 456.783 4.915 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506355 1065443842 /nfs/dbraw/zinc/44/38/42/1065443842.db2.gz FBZPLAWDVZUWHU-RBUKOAKNSA-N 0 0 457.502 4.694 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001436875006 1065460908 /nfs/dbraw/zinc/46/09/08/1065460908.db2.gz JAEUGLCEJKUMFX-INIZCTEOSA-N 0 0 459.930 4.663 20 5 JJBDRN C[C@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccc(Cl)cn1)c1nccs1 ZINC001360519186 1065484349 /nfs/dbraw/zinc/48/43/49/1065484349.db2.gz IEYNNZWPMVLTSS-OAHLLOKOSA-N 0 0 499.984 4.677 20 5 JJBDRN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc(C(=O)OC(C)(C)C)c1 ZINC001360523136 1065498245 /nfs/dbraw/zinc/49/82/45/1065498245.db2.gz SYYAQMQLKRBOIP-UHFFFAOYSA-N 0 0 450.285 4.978 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001437068577 1065505678 /nfs/dbraw/zinc/50/56/78/1065505678.db2.gz HPUMJLKVOMHHEF-HZPDHXFCSA-N 0 0 454.552 4.666 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001437068573 1065505731 /nfs/dbraw/zinc/50/57/31/1065505731.db2.gz HPUMJLKVOMHHEF-HOTGVXAUSA-N 0 0 454.552 4.666 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001437075615 1065506705 /nfs/dbraw/zinc/50/67/05/1065506705.db2.gz WGTMIEVGXFYODQ-HUUCEWRRSA-N 0 0 457.328 4.619 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001437075607 1065506983 /nfs/dbraw/zinc/50/69/83/1065506983.db2.gz WGTMIEVGXFYODQ-CABCVRRESA-N 0 0 457.328 4.619 20 5 JJBDRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1c(Br)cccc1[N+](=O)[O-] ZINC001360537698 1065521863 /nfs/dbraw/zinc/52/18/63/1065521863.db2.gz KAGAQYZPRJYAFS-NDEPHWFRSA-N 0 0 459.321 4.917 20 5 JJBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl ZINC000023588321 1065579599 /nfs/dbraw/zinc/57/95/99/1065579599.db2.gz LOYPTDZEOUFYSO-UHFFFAOYSA-N 0 0 486.966 4.992 20 5 JJBDRN CC(C)[C@H](OC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)c1ccc2c(c1)CCCC2 ZINC001437580205 1065580615 /nfs/dbraw/zinc/58/06/15/1065580615.db2.gz DRINBNRSJUBCON-QFIPXVFZSA-N 0 0 458.461 4.853 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001360585284 1065585531 /nfs/dbraw/zinc/58/55/31/1065585531.db2.gz YWHAIDHQKPUJTP-IBGZPJMESA-N 0 0 459.955 4.818 20 5 JJBDRN COCc1csc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC001437778726 1065604712 /nfs/dbraw/zinc/60/47/12/1065604712.db2.gz UEHNSRKIVQPYLJ-UHFFFAOYSA-N 0 0 456.545 4.686 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2[N+](=O)[O-])C1 ZINC001437789779 1065606832 /nfs/dbraw/zinc/60/68/32/1065606832.db2.gz AFAYWLUNSGMUKQ-RTBURBONSA-N 0 0 453.659 4.595 20 5 JJBDRN COc1ccc(C(C)(C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1F ZINC001437841533 1065618435 /nfs/dbraw/zinc/61/84/35/1065618435.db2.gz NAOVRIWOJCULAU-HNNXBMFYSA-N 0 0 452.486 4.976 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1[N+](=O)[O-] ZINC001437841747 1065618495 /nfs/dbraw/zinc/61/84/95/1065618495.db2.gz LIMGCHPLYOLZSD-GOSISDBHSA-N 0 0 458.490 4.564 20 5 JJBDRN O=C(N[C@H]1CCCCc2cc(Br)ccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001437897883 1065627557 /nfs/dbraw/zinc/62/75/57/1065627557.db2.gz VVKGNENHHPJKBG-KRWDZBQOSA-N 0 0 455.312 4.741 20 5 JJBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001437948528 1065634417 /nfs/dbraw/zinc/63/44/17/1065634417.db2.gz LGFVHRALIKQCLH-ZDUSSCGKSA-N 0 0 456.134 4.871 20 5 JJBDRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001360609394 1065640646 /nfs/dbraw/zinc/64/06/46/1065640646.db2.gz DWWMIQPZAWHJBI-QGZVFWFLSA-N 0 0 484.601 4.784 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2cccc(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC001437997157 1065643286 /nfs/dbraw/zinc/64/32/86/1065643286.db2.gz IPGBKCFFVBHFJO-RUZDIDTESA-N 0 0 457.530 4.534 20 5 JJBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC001360621008 1065667529 /nfs/dbraw/zinc/66/75/29/1065667529.db2.gz OSVVJYWYULSFBA-UHFFFAOYSA-N 0 0 451.552 4.536 20 5 JJBDRN CCCc1ccc(N2C[C@H](C(=O)O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)CC2=O)cc1 ZINC001438156347 1065683222 /nfs/dbraw/zinc/68/32/22/1065683222.db2.gz ZWDWEMIWMHCGFI-OXQOHEQNSA-N 0 0 450.413 4.747 20 5 JJBDRN CCCc1ccc(N2C[C@@H](C(=O)O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)CC2=O)cc1 ZINC001438156346 1065683448 /nfs/dbraw/zinc/68/34/48/1065683448.db2.gz ZWDWEMIWMHCGFI-OXJNMPFZSA-N 0 0 450.413 4.747 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1[N+](=O)[O-])c1ccccn1 ZINC001438167180 1065684156 /nfs/dbraw/zinc/68/41/56/1065684156.db2.gz WDWQWNBUTCZCBC-JKSUJKDBSA-N 0 0 459.506 4.885 20 5 JJBDRN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2c1cccc2Br ZINC001438195047 1065691955 /nfs/dbraw/zinc/69/19/55/1065691955.db2.gz YIKWLUACMSRPSU-UHFFFAOYSA-N 0 0 458.356 4.898 20 5 JJBDRN COC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2ccccc12 ZINC001438340440 1065712011 /nfs/dbraw/zinc/71/20/11/1065712011.db2.gz URFNZFXYCYUVIG-UHFFFAOYSA-N 0 0 458.474 4.649 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC001438361352 1065716421 /nfs/dbraw/zinc/71/64/21/1065716421.db2.gz XCOZMDPXIHVHNM-SCLBCKFNSA-N 0 0 451.292 4.937 20 5 JJBDRN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001438369736 1065717583 /nfs/dbraw/zinc/71/75/83/1065717583.db2.gz BLALUHOJAVRDRM-UHFFFAOYSA-N 0 0 459.327 4.816 20 5 JJBDRN Cc1cc(=O)c(C(=O)Nc2nc(C3CCCCCC3)cs2)nn1-c1ccccc1[N+](=O)[O-] ZINC001438392390 1065719074 /nfs/dbraw/zinc/71/90/74/1065719074.db2.gz PVGWUKDORGWPJR-UHFFFAOYSA-N 0 0 453.524 4.596 20 5 JJBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC1(C)OCCO1 ZINC001438461699 1065722986 /nfs/dbraw/zinc/72/29/86/1065722986.db2.gz DPDNHDNNEVTRLC-AWEZNQCLSA-N 0 0 450.944 4.918 20 5 JJBDRN O=C(Nc1cc(-c2ccccc2)ns1)c1cc([N+](=O)[O-])ccc1I ZINC001360649901 1065724638 /nfs/dbraw/zinc/72/46/38/1065724638.db2.gz PUCYKYGUPDEMHE-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000001284615 1065725907 /nfs/dbraw/zinc/72/59/07/1065725907.db2.gz PIDXSVSYPVZQLI-UHFFFAOYSA-N 0 0 458.467 4.965 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCc2cc(Cl)ccc2OC(F)F)c1 ZINC001360655209 1065727062 /nfs/dbraw/zinc/72/70/62/1065727062.db2.gz GGXQREPOBNMZRU-UHFFFAOYSA-N 0 0 451.813 4.760 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cc(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001438629103 1065737944 /nfs/dbraw/zinc/73/79/44/1065737944.db2.gz HCESUJJJSULEGG-HXUWFJFHSA-N 0 0 457.380 4.530 20 5 JJBDRN COc1cc(C(=O)Nc2cc(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001438629404 1065738223 /nfs/dbraw/zinc/73/82/23/1065738223.db2.gz IVBLGQKMDGPORW-UHFFFAOYSA-N 0 0 450.344 4.991 20 5 JJBDRN CC[C@H](C)Oc1cccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)n1 ZINC001438692953 1065744631 /nfs/dbraw/zinc/74/46/31/1065744631.db2.gz ULRVBMXRHKCLPH-NPMXOYFQSA-N 0 0 458.515 4.546 20 5 JJBDRN O=C(NCC1(c2ccccc2Br)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001360717545 1065746193 /nfs/dbraw/zinc/74/61/93/1065746193.db2.gz QJCUOCAGRAMFRU-UHFFFAOYSA-N 0 0 458.337 4.942 20 5 JJBDRN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC001438796837 1065753183 /nfs/dbraw/zinc/75/31/83/1065753183.db2.gz OZKFKIUMQOITOH-UHFFFAOYSA-N 0 0 458.268 4.592 20 5 JJBDRN CN(CC(=O)Nc1cnccc1-c1ccc(F)cc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001438819402 1065754636 /nfs/dbraw/zinc/75/46/36/1065754636.db2.gz MDZUKNMLDRMAFO-UHFFFAOYSA-N 0 0 459.275 4.633 20 5 JJBDRN O=C(OCc1ccc(Br)cc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001360729654 1065757176 /nfs/dbraw/zinc/75/71/76/1065757176.db2.gz KEKSGEOFPXRDJG-UHFFFAOYSA-N 0 0 453.720 4.971 20 5 JJBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001438937693 1065769634 /nfs/dbraw/zinc/76/96/34/1065769634.db2.gz UXSPDJVBGCMPLV-OAHLLOKOSA-N 0 0 455.312 4.767 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001439099700 1065785776 /nfs/dbraw/zinc/78/57/76/1065785776.db2.gz FAXPQETVDVRABE-NJYVYQBISA-N 0 0 457.571 4.774 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001439099695 1065785844 /nfs/dbraw/zinc/78/58/44/1065785844.db2.gz FAXPQETVDVRABE-HKBOAZHASA-N 0 0 457.571 4.774 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001439103202 1065786312 /nfs/dbraw/zinc/78/63/12/1065786312.db2.gz LCLVSBHUWTWURY-SFHVURJKSA-N 0 0 451.951 4.938 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001439184420 1065795963 /nfs/dbraw/zinc/79/59/63/1065795963.db2.gz YBFFFQGICPVMIK-QQOZLPODSA-N 0 0 454.548 4.588 20 5 JJBDRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001439357505 1065819437 /nfs/dbraw/zinc/81/94/37/1065819437.db2.gz XMHQQHPYTJOIAP-UHFFFAOYSA-N 0 0 451.435 4.885 20 5 JJBDRN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(F)(F)F ZINC001360757942 1065821384 /nfs/dbraw/zinc/82/13/84/1065821384.db2.gz KGGUHNIREAZWJB-ZDUSSCGKSA-N 0 0 499.881 4.580 20 5 JJBDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(F)(F)F ZINC001360757941 1065821451 /nfs/dbraw/zinc/82/14/51/1065821451.db2.gz KGGUHNIREAZWJB-CYBMUJFWSA-N 0 0 499.881 4.580 20 5 JJBDRN Cc1ccnc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C(=O)c1ccccc1F ZINC001439438139 1065829129 /nfs/dbraw/zinc/82/91/29/1065829129.db2.gz UZYZZZOBEFTTFC-UHFFFAOYSA-N 0 0 458.243 4.683 20 5 JJBDRN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001439551914 1065840958 /nfs/dbraw/zinc/84/09/58/1065840958.db2.gz YPKCRHCOBITLEB-AWEZNQCLSA-N 0 0 450.413 4.582 20 5 JJBDRN CCc1c(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)nnn1Cc1ccc(F)cc1 ZINC001439801137 1065880155 /nfs/dbraw/zinc/88/01/55/1065880155.db2.gz LZEBKMBWKNYCBH-UHFFFAOYSA-N 0 0 451.380 4.516 20 5 JJBDRN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccnc(Oc2ccccc2Br)c1 ZINC001360782476 1065893227 /nfs/dbraw/zinc/89/32/27/1065893227.db2.gz FSADKAOJWIHYIO-UHFFFAOYSA-N 0 0 457.284 4.985 20 5 JJBDRN CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360789764 1065904618 /nfs/dbraw/zinc/90/46/18/1065904618.db2.gz OYHKZNRFZGFAKC-HSZRJFAPSA-N 0 0 454.477 4.976 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001360793614 1065908273 /nfs/dbraw/zinc/90/82/73/1065908273.db2.gz MEYGKRFSZMSPIW-MSOLQXFVSA-N 0 0 459.930 4.900 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794819 1065909162 /nfs/dbraw/zinc/90/91/62/1065909162.db2.gz ZHVIZUUILFNPEG-NHCUHLMSSA-N 0 0 453.539 4.863 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1csc(Cc2cccc(F)c2)n1 ZINC001360803696 1065914848 /nfs/dbraw/zinc/91/48/48/1065914848.db2.gz FARIFVBIDDZMEE-UHFFFAOYSA-N 0 0 451.273 4.901 20 5 JJBDRN C[C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@H](C(F)(F)F)C1 ZINC001440213516 1065924790 /nfs/dbraw/zinc/92/47/90/1065924790.db2.gz FAHOMUHJUAMUQT-OTYXRUKQSA-N 0 0 451.232 4.890 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC001440384093 1065935518 /nfs/dbraw/zinc/93/55/18/1065935518.db2.gz IVEHBAMJTGURAH-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001440501468 1065945082 /nfs/dbraw/zinc/94/50/82/1065945082.db2.gz SHOCJUIKRHUHPI-CQSZACIVSA-N 0 0 459.911 4.791 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001440524436 1065947711 /nfs/dbraw/zinc/94/77/11/1065947711.db2.gz YMIMGORIILGULH-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN Cc1c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC001440566690 1065950831 /nfs/dbraw/zinc/95/08/31/1065950831.db2.gz URMQFIHHFZZKIY-UHFFFAOYSA-N 0 0 459.911 4.539 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c([N+](=O)[O-])c1 ZINC001360842948 1065951874 /nfs/dbraw/zinc/95/18/74/1065951874.db2.gz JQYQSUHWEDGYCQ-UHFFFAOYSA-N 0 0 450.451 4.836 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)c([N+](=O)[O-])c1 ZINC001360843906 1065952765 /nfs/dbraw/zinc/95/27/65/1065952765.db2.gz YSHUNZUWPRUMBI-UHFFFAOYSA-N 0 0 452.536 4.757 20 5 JJBDRN Cc1sc(C)c(Cn2c(C)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)c1Br ZINC001360848830 1065957800 /nfs/dbraw/zinc/95/78/00/1065957800.db2.gz HDMWVMWPAWADJF-UHFFFAOYSA-N 0 0 464.389 4.663 20 5 JJBDRN Cc1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC001440683816 1065966358 /nfs/dbraw/zinc/96/63/58/1065966358.db2.gz YCVJFMWJCSFGFW-UHFFFAOYSA-N 0 0 451.473 4.729 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc([N+](=O)[O-])c1 ZINC001360852875 1065967860 /nfs/dbraw/zinc/96/78/60/1065967860.db2.gz SYQSPRJKDFKXAE-UHFFFAOYSA-N 0 0 453.499 4.565 20 5 JJBDRN COc1cccc(O[C@H](C)CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001360855106 1065974500 /nfs/dbraw/zinc/97/45/00/1065974500.db2.gz LBJRRUPWGGULLT-CQSZACIVSA-N 0 0 459.549 4.717 20 5 JJBDRN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc2ccccc2n1C(F)F ZINC001440772007 1065978382 /nfs/dbraw/zinc/97/83/82/1065978382.db2.gz PSWNZNUODGWEHK-MRVPVSSYSA-N 0 0 457.206 4.732 20 5 JJBDRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC001440943839 1065996115 /nfs/dbraw/zinc/99/61/15/1065996115.db2.gz VAZDFCKLSPODSQ-OAHLLOKOSA-N 0 0 450.470 4.678 20 5 JJBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001441665493 1066059189 /nfs/dbraw/zinc/05/91/89/1066059189.db2.gz LNFVKJQRWOIBOE-UHFFFAOYSA-N 0 0 450.392 4.848 20 5 JJBDRN O=C(Cc1coc2cc(F)ccc12)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441734880 1066065213 /nfs/dbraw/zinc/06/52/13/1066065213.db2.gz HBFCJPLYDAFCAL-LJQANCHMSA-N 0 0 454.454 4.651 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001441741966 1066066537 /nfs/dbraw/zinc/06/65/37/1066066537.db2.gz XGGOAGCRBQJBQF-FFZOFVMBSA-N 0 0 458.461 4.605 20 5 JJBDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1Cl ZINC001441824426 1066074299 /nfs/dbraw/zinc/07/42/99/1066074299.db2.gz OOXFYHALHXWZBF-UHFFFAOYSA-N 0 0 455.902 4.809 20 5 JJBDRN Cc1ncsc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001360920211 1066076245 /nfs/dbraw/zinc/07/62/45/1066076245.db2.gz RPXRORHHRAKNML-UHFFFAOYSA-N 0 0 465.366 4.760 20 5 JJBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCc2cc(Br)ccc21 ZINC001441949637 1066082297 /nfs/dbraw/zinc/08/22/97/1066082297.db2.gz KLUZHQLQCUYEJP-UHFFFAOYSA-N 0 0 458.081 4.852 20 5 JJBDRN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001360925958 1066082367 /nfs/dbraw/zinc/08/23/67/1066082367.db2.gz UKYCLXFOIUJGFF-UHFFFAOYSA-N 0 0 457.446 4.595 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001360958113 1066114583 /nfs/dbraw/zinc/11/45/83/1066114583.db2.gz GHSGFLRQUVPBSG-UHFFFAOYSA-N 0 0 499.369 4.583 20 5 JJBDRN CCOC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)Cc1ccccc1 ZINC001442368560 1066120953 /nfs/dbraw/zinc/12/09/53/1066120953.db2.gz QNNDSCGZHFNOQN-GOSISDBHSA-N 0 0 456.564 4.781 20 5 JJBDRN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)s1 ZINC001442374933 1066121395 /nfs/dbraw/zinc/12/13/95/1066121395.db2.gz HAUOTFPUJARFMY-UHFFFAOYSA-N 0 0 450.314 4.745 20 5 JJBDRN O=C(NC1CCN(CC(F)F)CC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001442526981 1066132980 /nfs/dbraw/zinc/13/29/80/1066132980.db2.gz IWYQVKVCCOYHGL-UHFFFAOYSA-N 0 0 455.914 4.859 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001360980708 1066139078 /nfs/dbraw/zinc/13/90/78/1066139078.db2.gz AKQOEBPRLJXAGE-HNNXBMFYSA-N 0 0 451.483 4.619 20 5 JJBDRN C[C@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001442808399 1066225483 /nfs/dbraw/zinc/22/54/83/1066225483.db2.gz HQQXQOLOFMRNLU-ZFWWWQNUSA-N 0 0 458.877 4.947 20 5 JJBDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC001454220129 1066255805 /nfs/dbraw/zinc/25/58/05/1066255805.db2.gz NFOVCXRYXIZTQW-JTQLQIEISA-N 0 0 455.824 4.823 20 5 JJBDRN CC(C)COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC001443152749 1066274367 /nfs/dbraw/zinc/27/43/67/1066274367.db2.gz CHOHDFVKGYHXHK-UHFFFAOYSA-N 0 0 451.445 4.611 20 5 JJBDRN O=C(NCc1ccnc(Br)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001454396548 1066277395 /nfs/dbraw/zinc/27/73/95/1066277395.db2.gz MAMSDYAGFIFELN-UHFFFAOYSA-N 0 0 450.358 4.965 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)c2cc(Cl)ccc2F)cc1 ZINC001454408706 1066280107 /nfs/dbraw/zinc/28/01/07/1066280107.db2.gz MCMAURASDGGZNY-UHFFFAOYSA-N 0 0 458.829 4.801 20 5 JJBDRN C[C@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001454440261 1066282877 /nfs/dbraw/zinc/28/28/77/1066282877.db2.gz PWKWGFXHDQBWHN-HIFRSBDPSA-N 0 0 457.930 4.677 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001443239622 1066283766 /nfs/dbraw/zinc/28/37/66/1066283766.db2.gz JSUGNJWGKQJKFD-UHFFFAOYSA-N 0 0 459.911 4.516 20 5 JJBDRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001443291717 1066290528 /nfs/dbraw/zinc/29/05/28/1066290528.db2.gz BWSKQTOTJYRPHM-DYESRHJHSA-N 0 0 459.568 4.793 20 5 JJBDRN O=C(NCc1cccc(COC2CCOCC2)c1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001443339367 1066297356 /nfs/dbraw/zinc/29/73/56/1066297356.db2.gz VHBZFCMGWUKRGZ-UHFFFAOYSA-N 0 0 457.285 4.666 20 5 JJBDRN C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Cc1cccs1 ZINC001361062673 1066301875 /nfs/dbraw/zinc/30/18/75/1066301875.db2.gz BSXDXCPXBQNNLX-AWEZNQCLSA-N 0 0 455.502 4.887 20 5 JJBDRN Nc1c(Br)cc(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC001443404324 1066306060 /nfs/dbraw/zinc/30/60/60/1066306060.db2.gz CZJPMFDEHRYQNU-UHFFFAOYSA-N 0 0 454.271 4.803 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc(Br)c(Br)c2)c1F ZINC001455001584 1066350596 /nfs/dbraw/zinc/35/05/96/1066350596.db2.gz XYBGWBVUKSOBIN-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001455030911 1066354753 /nfs/dbraw/zinc/35/47/53/1066354753.db2.gz WWYGUCPZSSVWGR-OAQYLSRUSA-N 0 0 459.930 4.878 20 5 JJBDRN CO[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC001455209532 1066370969 /nfs/dbraw/zinc/37/09/69/1066370969.db2.gz PBGCLARUWPRTNS-LJQANCHMSA-N 0 0 457.836 4.654 20 5 JJBDRN CC(C)(C)OCCCN1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC001455224545 1066372479 /nfs/dbraw/zinc/37/24/79/1066372479.db2.gz DJSLEKYHKCOGLB-UHFFFAOYSA-N 0 0 457.596 4.709 20 5 JJBDRN C[C@@H](C(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC001455272465 1066378468 /nfs/dbraw/zinc/37/84/68/1066378468.db2.gz JKOLLXIHJDVEHU-CQSZACIVSA-N 0 0 459.474 4.606 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001443878419 1066380599 /nfs/dbraw/zinc/38/05/99/1066380599.db2.gz XFGXUAUEDDMUHK-KRWDZBQOSA-N 0 0 452.511 4.690 20 5 JJBDRN O=C(NCCc1ccc(O)c(CO)c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001455319559 1066383290 /nfs/dbraw/zinc/38/32/90/1066383290.db2.gz UVITYYHCHGYWRX-UHFFFAOYSA-N 0 0 458.923 4.570 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001443981988 1066390317 /nfs/dbraw/zinc/39/03/17/1066390317.db2.gz SGXMUVJFMFVNGD-IZJXBPLLSA-N 0 0 453.539 4.739 20 5 JJBDRN CC(C)(O)[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC001455448189 1066391326 /nfs/dbraw/zinc/39/13/26/1066391326.db2.gz QCOANJFVCRMOQU-VJSYINPZSA-N 0 0 451.548 4.755 20 5 JJBDRN C[C@H](CCc1cccn1C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001444033207 1066396663 /nfs/dbraw/zinc/39/66/63/1066396663.db2.gz JGUUKKCTGMVHAF-OAHLLOKOSA-N 0 0 454.914 4.590 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001361141955 1066422578 /nfs/dbraw/zinc/42/25/78/1066422578.db2.gz VZXGPJIBMSIQNI-CYBMUJFWSA-N 0 0 450.875 4.992 20 5 JJBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC001361142594 1066424196 /nfs/dbraw/zinc/42/41/96/1066424196.db2.gz BZRSFPWXJBXBJM-SJORKVTESA-N 0 0 459.534 4.963 20 5 JJBDRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001455791907 1066432102 /nfs/dbraw/zinc/43/21/02/1066432102.db2.gz JUBMISNVQXBVFO-LEWJYISDSA-N 0 0 473.957 4.905 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001361146559 1066432363 /nfs/dbraw/zinc/43/23/63/1066432363.db2.gz IDBFRXAVNWLRGV-ZDUSSCGKSA-N 0 0 455.736 4.917 20 5 JJBDRN O=C(CCCc1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001455939108 1066456501 /nfs/dbraw/zinc/45/65/01/1066456501.db2.gz LESFWCCZPBAHCD-UHFFFAOYSA-N 0 0 457.399 4.563 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001455960446 1066461288 /nfs/dbraw/zinc/46/12/88/1066461288.db2.gz UPRVDUWRPHPMMM-UHFFFAOYSA-N 0 0 459.306 4.774 20 5 JJBDRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161734 1066467896 /nfs/dbraw/zinc/46/78/96/1066467896.db2.gz WPBGYHFRCWLTHF-UHFFFAOYSA-N 0 0 455.898 4.906 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CCC[C@H](O)C1 ZINC001444558718 1066475720 /nfs/dbraw/zinc/47/57/20/1066475720.db2.gz SWNWFLOMGNSVSS-MCEYOEGSSA-N 0 0 451.548 4.803 20 5 JJBDRN O=C(c1cn(-c2ccc(Br)cc2)nn1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001456022233 1066479140 /nfs/dbraw/zinc/47/91/40/1066479140.db2.gz YFYGJNQRVUPHKZ-UHFFFAOYSA-N 0 0 456.300 4.527 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)cc([N+](=O)[O-])c1 ZINC001444672203 1066491525 /nfs/dbraw/zinc/49/15/25/1066491525.db2.gz QFNSVYGZHULUFI-UHFFFAOYSA-N 0 0 457.389 4.979 20 5 JJBDRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001456057195 1066496772 /nfs/dbraw/zinc/49/67/72/1066496772.db2.gz QFDYAEHPXOAOJQ-IVZQSRNASA-N 0 0 453.967 4.771 20 5 JJBDRN C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC001361179664 1066500634 /nfs/dbraw/zinc/50/06/34/1066500634.db2.gz BKVMMASUGLTXKA-GFCCVEGCSA-N 0 0 455.437 4.724 20 5 JJBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001456071399 1066502700 /nfs/dbraw/zinc/50/27/00/1066502700.db2.gz BIAORIJUJOUOCH-SFHVURJKSA-N 0 0 456.974 4.815 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001444810562 1066507757 /nfs/dbraw/zinc/50/77/57/1066507757.db2.gz YZGMJQKWHGMRIA-UHFFFAOYSA-N 0 0 455.511 4.554 20 5 JJBDRN Cc1ccc(N2CCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)[C@H](C)C2)cc1C ZINC001361186827 1066510483 /nfs/dbraw/zinc/51/04/83/1066510483.db2.gz XCWMCXLIADIQSO-OAQYLSRUSA-N 0 0 450.583 4.799 20 5 JJBDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001444967644 1066524483 /nfs/dbraw/zinc/52/44/83/1066524483.db2.gz FRGMWPAYYVTOQB-SCLBCKFNSA-N 0 0 450.308 4.542 20 5 JJBDRN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001456164247 1066526738 /nfs/dbraw/zinc/52/67/38/1066526738.db2.gz QRTLRGKIWPLVDX-OPAMFIHVSA-N 0 0 459.905 4.788 20 5 JJBDRN CC(C)COc1ccc(C(C)(C)CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC001456173301 1066528427 /nfs/dbraw/zinc/52/84/27/1066528427.db2.gz ZMNKPWLHZJRLNK-UHFFFAOYSA-N 0 0 450.539 4.582 20 5 JJBDRN CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456196292 1066534827 /nfs/dbraw/zinc/53/48/27/1066534827.db2.gz QFBXLSCYUZOVLE-KOSHJBKYSA-N 0 0 451.567 4.529 20 5 JJBDRN CSc1cccc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)c1[N+](=O)[O-] ZINC001456200502 1066536250 /nfs/dbraw/zinc/53/62/50/1066536250.db2.gz FDEBDOJNRMEYCX-UHFFFAOYSA-N 0 0 457.552 4.934 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001456219176 1066539975 /nfs/dbraw/zinc/53/99/75/1066539975.db2.gz ZQGJELMKXXBHOG-LJQANCHMSA-N 0 0 457.527 4.552 20 5 JJBDRN Cc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)C(C)C ZINC001456223413 1066540537 /nfs/dbraw/zinc/54/05/37/1066540537.db2.gz IZVCSDZIUPCGKW-GOSISDBHSA-N 0 0 452.292 4.943 20 5 JJBDRN CCOC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)o1 ZINC001445190716 1066544374 /nfs/dbraw/zinc/54/43/74/1066544374.db2.gz QQDSZEQDLKRPLF-UHFFFAOYSA-N 0 0 457.870 4.560 20 5 JJBDRN COc1cc(F)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1OC ZINC001456251315 1066546659 /nfs/dbraw/zinc/54/66/59/1066546659.db2.gz XIPCABBXIQGYDM-OAHLLOKOSA-N 0 0 453.470 4.854 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456348262 1066566719 /nfs/dbraw/zinc/56/67/19/1066566719.db2.gz ABPKJQGNPLKERQ-WWGRRREGSA-N 0 0 450.276 4.606 20 5 JJBDRN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)no1 ZINC001361236478 1066577163 /nfs/dbraw/zinc/57/71/63/1066577163.db2.gz COXCVDIIVGCRJA-QKLQHJQFSA-N 0 0 455.559 4.951 20 5 JJBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C)c(OCc3ccccc3Cl)c(C)c2)n1 ZINC001456418103 1066581999 /nfs/dbraw/zinc/58/19/99/1066581999.db2.gz LZIIFYJEIOCETE-UHFFFAOYSA-N 0 0 456.930 4.933 20 5 JJBDRN C[C@H](Oc1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC001456439656 1066586978 /nfs/dbraw/zinc/58/69/78/1066586978.db2.gz DPXCKMFUAXSDGB-INIZCTEOSA-N 0 0 459.458 4.641 20 5 JJBDRN COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CCO2)c1 ZINC001445596417 1066593145 /nfs/dbraw/zinc/59/31/45/1066593145.db2.gz BOIDGBVGLHSKMH-QFIPXVFZSA-N 0 0 450.516 4.968 20 5 JJBDRN CCC[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)OC ZINC001456479820 1066594725 /nfs/dbraw/zinc/59/47/25/1066594725.db2.gz YXYRNBASAYEZSD-NRMGUKERSA-N 0 0 453.520 4.593 20 5 JJBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC001456486835 1066596742 /nfs/dbraw/zinc/59/67/42/1066596742.db2.gz DIRPQFLDEWDSLB-UHFFFAOYSA-N 0 0 459.531 4.998 20 5 JJBDRN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1O ZINC001445646165 1066597905 /nfs/dbraw/zinc/59/79/05/1066597905.db2.gz JLPICUHNYHNPLX-UHFFFAOYSA-N 0 0 455.898 4.847 20 5 JJBDRN COC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc2C(F)(F)F)CC1 ZINC001361253725 1066601818 /nfs/dbraw/zinc/60/18/18/1066601818.db2.gz FMTIPPGESBRSTC-UHFFFAOYSA-N 0 0 455.408 4.929 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001361257949 1066606998 /nfs/dbraw/zinc/60/69/98/1066606998.db2.gz QGKUASNVMZIMSY-CJAUYULYSA-N 0 0 453.539 4.659 20 5 JJBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC001445703827 1066607086 /nfs/dbraw/zinc/60/70/86/1066607086.db2.gz PMLTTYCRMCSRPR-ZDUSSCGKSA-N 0 0 452.433 4.978 20 5 JJBDRN COc1cccc(C(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c2cccc(OC)c2)c1 ZINC001361266104 1066618647 /nfs/dbraw/zinc/61/86/47/1066618647.db2.gz NLJCFBMMDUVSQG-UHFFFAOYSA-N 0 0 457.486 4.867 20 5 JJBDRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001456542432 1066620528 /nfs/dbraw/zinc/62/05/28/1066620528.db2.gz MXXJSHNNRMRCHX-JOCHJYFZSA-N 0 0 456.955 4.998 20 5 JJBDRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001456544099 1066620778 /nfs/dbraw/zinc/62/07/78/1066620778.db2.gz QKMKIKXIKGYNIZ-QGZVFWFLSA-N 0 0 450.398 4.551 20 5 JJBDRN CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001456545463 1066621430 /nfs/dbraw/zinc/62/14/30/1066621430.db2.gz CGJIQCBGOBOQLK-OALUTQOASA-N 0 0 456.486 4.795 20 5 JJBDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001456573315 1066629147 /nfs/dbraw/zinc/62/91/47/1066629147.db2.gz ZUXTYVYEOSTNDP-OYHNWAKOSA-N 0 0 456.930 4.616 20 5 JJBDRN COc1cc(C(=O)Nc2ccccc2OCC2CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001456625586 1066649619 /nfs/dbraw/zinc/64/96/19/1066649619.db2.gz QZIYWCCXXQAPFH-UHFFFAOYSA-N 0 0 455.492 4.680 20 5 JJBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC(Cc2ccc(Br)cc2)C1 ZINC001456627143 1066650198 /nfs/dbraw/zinc/65/01/98/1066650198.db2.gz PVLBGQFWPGIJDD-UHFFFAOYSA-N 0 0 452.308 4.734 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1cscn1 ZINC001446043059 1066650667 /nfs/dbraw/zinc/65/06/67/1066650667.db2.gz BDEZGOWSFGRZBY-WJDWOHSUSA-N 0 0 450.545 4.951 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2c(C)onc2-c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001456639195 1066654663 /nfs/dbraw/zinc/65/46/63/1066654663.db2.gz IKGSBESLYWWOJH-UHFFFAOYSA-N 0 0 450.234 4.904 20 5 JJBDRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001456727307 1066675301 /nfs/dbraw/zinc/67/53/01/1066675301.db2.gz JUKIOTQBMNPAHV-UHFFFAOYSA-N 0 0 452.417 4.753 20 5 JJBDRN C[C@H](O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001446400599 1066702015 /nfs/dbraw/zinc/70/20/15/1066702015.db2.gz UAUUBTNPHBNXFB-KBPBESRZSA-N 0 0 454.470 4.998 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446488363 1066710028 /nfs/dbraw/zinc/71/00/28/1066710028.db2.gz ROQKKFCICGMHCF-HNAYVOBHSA-N 0 0 451.292 4.533 20 5 JJBDRN Cc1cnc(C2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCCCCO)CC2)s1 ZINC001492633407 1066714497 /nfs/dbraw/zinc/71/44/97/1066714497.db2.gz BHNVWWXNDGEZMU-UHFFFAOYSA-N 0 0 470.599 4.555 20 5 JJBDRN CC(C)(C)Oc1ccncc1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001446540389 1066718285 /nfs/dbraw/zinc/71/82/85/1066718285.db2.gz WNPDRXOZVTUOTI-UHFFFAOYSA-N 0 0 450.282 4.912 20 5 JJBDRN Cc1ccc(N2CCC[C@@H](NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC001456918257 1066721729 /nfs/dbraw/zinc/72/17/29/1066721729.db2.gz GJCKKEZGXYQUPO-MRXNPFEDSA-N 0 0 453.486 4.799 20 5 JJBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001446587485 1066723969 /nfs/dbraw/zinc/72/39/69/1066723969.db2.gz OPJHEGUEINVZHP-UHFFFAOYSA-N 0 0 453.817 4.957 20 5 JJBDRN CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(Br)cs2)CCO1 ZINC001546085676 1066726026 /nfs/dbraw/zinc/72/60/26/1066726026.db2.gz PVDRJJHPJISHRB-HXUWFJFHSA-N 0 0 492.399 4.731 20 5 JJBDRN Cc1csc([C@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCC(F)(F)F)CCO2)n1 ZINC001492641131 1066733862 /nfs/dbraw/zinc/73/38/62/1066733862.db2.gz JTKZAJQCLGYSLJ-MRXNPFEDSA-N 0 0 482.488 4.539 20 5 JJBDRN CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCCCC2)CCO1 ZINC001546085941 1066735955 /nfs/dbraw/zinc/73/59/55/1066735955.db2.gz VPXCEEKJEMSMID-DEOSSOPVSA-N 0 0 457.575 4.598 20 5 JJBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1Sc1ccccc1 ZINC001446765563 1066737576 /nfs/dbraw/zinc/73/75/76/1066737576.db2.gz ZGVJBBVMLHIRHS-UHFFFAOYSA-N 0 0 455.467 4.896 20 5 JJBDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001457016461 1066743776 /nfs/dbraw/zinc/74/37/76/1066743776.db2.gz MIKKZXRCENOMNT-HNNXBMFYSA-N 0 0 452.292 4.601 20 5 JJBDRN C[C@@](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)(C1CC1)C(F)(F)F ZINC001457085159 1066757781 /nfs/dbraw/zinc/75/77/81/1066757781.db2.gz FLWXBHQECCKFLB-JOCHJYFZSA-N 0 0 458.440 4.837 20 5 JJBDRN Cc1cscc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001492653506 1066762002 /nfs/dbraw/zinc/76/20/02/1066762002.db2.gz BEBNOBZNNKDAGY-SFHVURJKSA-N 0 0 481.500 4.819 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447103384 1066773203 /nfs/dbraw/zinc/77/32/03/1066773203.db2.gz CRNBJCRQHBKHSI-QGZVFWFLSA-N 0 0 450.276 4.794 20 5 JJBDRN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4cc(Cl)c(F)c([N+](=O)[O-])c4N)cc3)ccc2O1 ZINC001447307807 1066790119 /nfs/dbraw/zinc/79/01/19/1066790119.db2.gz NOSSVHNGOSEQFJ-GFCCVEGCSA-N 0 0 455.873 4.890 20 5 JJBDRN CC(C)c1nc([C@@H]2CCCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC001457234557 1066795836 /nfs/dbraw/zinc/79/58/36/1066795836.db2.gz SZOZLHWIXFAECA-HNNXBMFYSA-N 0 0 455.437 4.676 20 5 JJBDRN Cc1ccsc1Cn1c(Cc2csc(C)n2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001492668555 1066796440 /nfs/dbraw/zinc/79/64/40/1066796440.db2.gz PMNWIQZLYLDWFE-UHFFFAOYSA-N 0 0 468.608 4.639 20 5 JJBDRN CCCC[C@H](NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)OC ZINC001447342868 1066796573 /nfs/dbraw/zinc/79/65/73/1066796573.db2.gz BEHPMCOHXYNSHG-HNNXBMFYSA-N 0 0 459.549 4.817 20 5 JJBDRN Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001457291223 1066805162 /nfs/dbraw/zinc/80/51/62/1066805162.db2.gz LPYMLZSUHAFVFA-MRXNPFEDSA-N 0 0 454.405 4.522 20 5 JJBDRN CC1(CO)CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC1 ZINC001447416824 1066807088 /nfs/dbraw/zinc/80/70/88/1066807088.db2.gz QWLNVSKEKXUORO-JXAWBTAJSA-N 0 0 451.548 4.756 20 5 JJBDRN Cn1cccc1[C@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001447522682 1066818483 /nfs/dbraw/zinc/81/84/83/1066818483.db2.gz JXBUVJWOBGSAOD-LJQANCHMSA-N 0 0 457.939 4.952 20 5 JJBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001447561574 1066822137 /nfs/dbraw/zinc/82/21/37/1066822137.db2.gz JMBRTWSVEVUFKQ-NRFANRHFSA-N 0 0 459.424 4.904 20 5 JJBDRN O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001447652431 1066836033 /nfs/dbraw/zinc/83/60/33/1066836033.db2.gz DVTXGVUNVMLVJW-XUZZJYLKSA-N 0 0 458.555 4.912 20 5 JJBDRN CCOc1cc(O)ccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001447652138 1066836148 /nfs/dbraw/zinc/83/61/48/1066836148.db2.gz FVUQLLQWIJGQKS-UHFFFAOYSA-N 0 0 453.417 4.573 20 5 JJBDRN Cn1cc(C[C@@H]2CCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C2)cn1 ZINC001457469589 1066837548 /nfs/dbraw/zinc/83/75/48/1066837548.db2.gz ATDBMAXEEPBWQU-HNNXBMFYSA-N 0 0 456.955 4.838 20 5 JJBDRN Cc1nc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)Br)cs1 ZINC001492694264 1066840004 /nfs/dbraw/zinc/84/00/04/1066840004.db2.gz DFHZTWNFHODRJA-OAHLLOKOSA-N 0 0 499.341 4.947 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001457490345 1066841723 /nfs/dbraw/zinc/84/17/23/1066841723.db2.gz SGEWIBBUAIEFJY-UHFFFAOYSA-N 0 0 457.483 4.699 20 5 JJBDRN COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001457515554 1066848311 /nfs/dbraw/zinc/84/83/11/1066848311.db2.gz GHDSPBBKPAYUBW-QFIPXVFZSA-N 0 0 450.539 4.982 20 5 JJBDRN COC(=O)CCCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC001457615534 1066879807 /nfs/dbraw/zinc/87/98/07/1066879807.db2.gz ROZABPDMAVYMEA-UHFFFAOYSA-N 0 0 457.533 4.951 20 5 JJBDRN O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001457630511 1066886173 /nfs/dbraw/zinc/88/61/73/1066886173.db2.gz BIPUAFTUKCIJQH-UHFFFAOYSA-N 0 0 451.845 4.565 20 5 JJBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457678845 1066896008 /nfs/dbraw/zinc/89/60/08/1066896008.db2.gz AHGVFGJMMVFMBY-UHFFFAOYSA-N 0 0 458.643 4.758 20 5 JJBDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001448072439 1066896259 /nfs/dbraw/zinc/89/62/59/1066896259.db2.gz OSECPWVJYIAFOE-SFHVURJKSA-N 0 0 451.548 4.754 20 5 JJBDRN O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457696377 1066899403 /nfs/dbraw/zinc/89/94/03/1066899403.db2.gz WNMFHDZVXJXOLI-ZDUSSCGKSA-N 0 0 455.717 4.689 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001448357510 1066919440 /nfs/dbraw/zinc/91/94/40/1066919440.db2.gz QKFBNDWMVWUXLX-HXUWFJFHSA-N 0 0 458.342 4.765 20 5 JJBDRN Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC001457820254 1066928035 /nfs/dbraw/zinc/92/80/35/1066928035.db2.gz TUQVKHWLHDEHHT-KRWDZBQOSA-N 0 0 450.944 4.523 20 5 JJBDRN CC[C@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001546006372 1066930140 /nfs/dbraw/zinc/93/01/40/1066930140.db2.gz TZWUQUQDGKGBSL-HXUWFJFHSA-N 0 0 486.617 4.859 20 5 JJBDRN Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(F)(F)F)CC2)n1 ZINC001492760484 1066932628 /nfs/dbraw/zinc/93/26/28/1066932628.db2.gz HCBMFCLTFKFFJV-UHFFFAOYSA-N 0 0 477.491 4.536 20 5 JJBDRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001457898186 1066938354 /nfs/dbraw/zinc/93/83/54/1066938354.db2.gz UYWFPPUFJZBCCK-UHFFFAOYSA-N 0 0 452.883 4.832 20 5 JJBDRN O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001457900357 1066938896 /nfs/dbraw/zinc/93/88/96/1066938896.db2.gz APIWGFOTENZXRA-UHFFFAOYSA-N 0 0 454.895 4.860 20 5 JJBDRN Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC001492766284 1066939008 /nfs/dbraw/zinc/93/90/08/1066939008.db2.gz HQCJIMNWHMHVQT-UHFFFAOYSA-N 0 0 469.615 4.737 20 5 JJBDRN COc1ccccc1CONC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC001448597513 1066941149 /nfs/dbraw/zinc/94/11/49/1066941149.db2.gz XEZDJTLTJKUAMD-UHFFFAOYSA-N 0 0 458.854 4.919 20 5 JJBDRN CCCc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1cc(F)c(OC)cc1F ZINC001448677957 1066949497 /nfs/dbraw/zinc/94/94/97/1066949497.db2.gz QQPFNNYNYIHCQZ-UHFFFAOYSA-N 0 0 450.829 4.926 20 5 JJBDRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001457982567 1066951503 /nfs/dbraw/zinc/95/15/03/1066951503.db2.gz JFANYBDZRKGTQK-FZKQIMNGSA-N 0 0 452.338 4.924 20 5 JJBDRN Cc1c2nc(NC(=O)c3ccc(I)c([N+](=O)[O-])c3)sc2ccc1F ZINC001457984648 1066951950 /nfs/dbraw/zinc/95/19/50/1066951950.db2.gz RWDCWRACZKFALJ-UHFFFAOYSA-N 0 0 457.224 4.509 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC(Cc2ccc(Br)cc2)C1 ZINC001458027785 1066958030 /nfs/dbraw/zinc/95/80/30/1066958030.db2.gz QPEWRUOJLWAOOS-UHFFFAOYSA-N 0 0 458.356 4.662 20 5 JJBDRN Nc1c(Cl)cc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cc1[N+](=O)[O-] ZINC001448830873 1066960671 /nfs/dbraw/zinc/96/06/71/1066960671.db2.gz OHCAIWGAQVZFFK-UHFFFAOYSA-N 0 0 454.586 4.744 20 5 JJBDRN CCCCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1C(C)C ZINC001448846103 1066963422 /nfs/dbraw/zinc/96/34/22/1066963422.db2.gz IFWWMMOXAZRREO-UHFFFAOYSA-N 0 0 456.284 4.572 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ccc(Br)cc1 ZINC001458068201 1066966150 /nfs/dbraw/zinc/96/61/50/1066966150.db2.gz CGNZBBACAZWUEZ-UHFFFAOYSA-N 0 0 457.371 4.683 20 5 JJBDRN COC(=O)[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001458075676 1066968112 /nfs/dbraw/zinc/96/81/12/1066968112.db2.gz KPPUZKWXAWFNPV-FQEVSTJZSA-N 0 0 457.845 4.775 20 5 JJBDRN COc1ccccc1-c1csc(C2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC2)n1 ZINC001448924974 1066970607 /nfs/dbraw/zinc/97/06/07/1066970607.db2.gz ACNZZAMBNLKBJB-UHFFFAOYSA-N 0 0 455.511 4.815 20 5 JJBDRN CCOc1cc(C(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC001545716607 1066971521 /nfs/dbraw/zinc/97/15/21/1066971521.db2.gz VPJDOYQPABEQNH-JOCHJYFZSA-N 0 0 450.491 4.921 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC001458090546 1066971965 /nfs/dbraw/zinc/97/19/65/1066971965.db2.gz ZNCWBMDMPGQQKS-UHFFFAOYSA-N 0 0 455.536 4.948 20 5 JJBDRN COC(=O)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001448995424 1066976223 /nfs/dbraw/zinc/97/62/23/1066976223.db2.gz XLGAXEYSOXNLPA-SFHVURJKSA-N 0 0 454.479 4.572 20 5 JJBDRN CCCN(CC1CCCCC1)c1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-] ZINC001458120741 1066981039 /nfs/dbraw/zinc/98/10/39/1066981039.db2.gz MMZKUCJLFWRKRV-UHFFFAOYSA-N 0 0 456.568 4.978 20 5 JJBDRN O=[N+]([O-])c1ccc(NC[C@H](O)COc2cccc(Cl)c2Cl)nc1-c1ccc(F)cc1 ZINC001458130784 1066984337 /nfs/dbraw/zinc/98/43/37/1066984337.db2.gz DIDINIIXEMBLER-AWEZNQCLSA-N 0 0 452.269 4.955 20 5 JJBDRN O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001458135398 1066985210 /nfs/dbraw/zinc/98/52/10/1066985210.db2.gz WVYKJROADVHSNL-UHFFFAOYSA-N 0 0 450.375 4.959 20 5 JJBDRN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc1C ZINC001458143788 1066987114 /nfs/dbraw/zinc/98/71/14/1066987114.db2.gz FSVIPUNCSPKRPT-FQEVSTJZSA-N 0 0 453.539 4.677 20 5 JJBDRN CCOc1ccc([C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2cccc(Cl)c2)cc1 ZINC001458153900 1066989794 /nfs/dbraw/zinc/98/97/94/1066989794.db2.gz IFDSIWGSZQRRNC-JOCHJYFZSA-N 0 0 456.930 4.756 20 5 JJBDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156548 1066991690 /nfs/dbraw/zinc/99/16/90/1066991690.db2.gz UNQZHKHDTZKNJS-GAJHUEQPSA-N 0 0 458.990 4.643 20 5 JJBDRN COc1cc(C(=O)N2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001458161134 1066993154 /nfs/dbraw/zinc/99/31/54/1066993154.db2.gz ZHUAMTWOKXEWSU-UHFFFAOYSA-N 0 0 454.429 4.659 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCC=C(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001449275562 1066995036 /nfs/dbraw/zinc/99/50/36/1066995036.db2.gz CVBLJKBFKAQIQY-UHFFFAOYSA-N 0 0 455.514 4.821 20 5 JJBDRN O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001458171104 1066995095 /nfs/dbraw/zinc/99/50/95/1066995095.db2.gz ZHOXRULTZOQZOZ-QGZVFWFLSA-N 0 0 450.720 4.963 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)CCc3cccn3C)c([N+](=O)[O-])c2)c(C)c1 ZINC001458182559 1066998901 /nfs/dbraw/zinc/99/89/01/1066998901.db2.gz BVWUTHDJHMGPGM-SFHVURJKSA-N 0 0 456.568 4.784 20 5 JJBDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458190413 1067000842 /nfs/dbraw/zinc/00/08/42/1067000842.db2.gz JZELSBYBDDPZPB-DLBZAZTESA-N 0 0 455.342 4.753 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC(OC[C@H]4CCCCO4)CC3)c([N+](=O)[O-])c2)cc1 ZINC001458222845 1067006778 /nfs/dbraw/zinc/00/67/78/1067006778.db2.gz UVLQOKKVQOFJGO-JOCHJYFZSA-N 0 0 453.539 4.710 20 5 JJBDRN COc1cc(Br)ccc1CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001458232767 1067008640 /nfs/dbraw/zinc/00/86/40/1067008640.db2.gz RFUBSRCBKPFGBU-CYBMUJFWSA-N 0 0 453.358 4.596 20 5 JJBDRN O=[N+]([O-])c1cc(Br)ccc1Sc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC001458236768 1067009623 /nfs/dbraw/zinc/00/96/23/1067009623.db2.gz ISIPZWCKXRKJKQ-UHFFFAOYSA-N 0 0 458.297 4.803 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@@H](c3nnc[nH]3)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001449472514 1067010847 /nfs/dbraw/zinc/01/08/47/1067010847.db2.gz OERPMCAOBUICKP-HXUWFJFHSA-N 0 0 459.531 4.734 20 5 JJBDRN COc1cc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1c(C)noc1C ZINC001458257472 1067014135 /nfs/dbraw/zinc/01/41/35/1067014135.db2.gz NEPWGMMVEABMPD-JXMROGBWSA-N 0 0 452.463 4.852 20 5 JJBDRN Cc1nn(-c2ccc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)cc2)c(C)c1Br ZINC001458294682 1067023674 /nfs/dbraw/zinc/02/36/74/1067023674.db2.gz PZPVZEMWILQGHO-UHFFFAOYSA-N 0 0 455.312 4.671 20 5 JJBDRN Cc1cc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)ccc1[N+](=O)[O-] ZINC001458295508 1067024565 /nfs/dbraw/zinc/02/45/65/1067024565.db2.gz MRSLLWXCIJUHOJ-UHFFFAOYSA-N 0 0 451.292 4.783 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)c([N+](=O)[O-])c2)cc1 ZINC001458302725 1067025328 /nfs/dbraw/zinc/02/53/28/1067025328.db2.gz NRGFWYLJPVVEPR-FQEVSTJZSA-N 0 0 458.518 4.616 20 5 JJBDRN COc1ccc2ncc([N+](=O)[O-])c(N3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c2c1 ZINC001458321721 1067030322 /nfs/dbraw/zinc/03/03/22/1067030322.db2.gz VOYGULDNQOMWSG-UHFFFAOYSA-N 0 0 456.543 4.769 20 5 JJBDRN O=[N+]([O-])c1cc(I)ccc1Oc1cc(-c2ccccc2)nc2ccnn21 ZINC001458324841 1067030981 /nfs/dbraw/zinc/03/09/81/1067030981.db2.gz BYERIFQUUMOMJZ-UHFFFAOYSA-N 0 0 458.215 4.701 20 5 JJBDRN C[C@H](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449855010 1067032240 /nfs/dbraw/zinc/03/22/40/1067032240.db2.gz OVPRQJLXAPIILG-GIVPXCGWSA-N 0 0 459.587 4.974 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001458330449 1067032353 /nfs/dbraw/zinc/03/23/53/1067032353.db2.gz YDAMEFXJYPDZSD-VSKRKVRLSA-N 0 0 457.596 4.788 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001458330440 1067032462 /nfs/dbraw/zinc/03/24/62/1067032462.db2.gz YDAMEFXJYPDZSD-BDTNDASRSA-N 0 0 457.596 4.788 20 5 JJBDRN CCCc1c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])nnn1-c1cccc(C(C)C)c1 ZINC001458340521 1067035112 /nfs/dbraw/zinc/03/51/12/1067035112.db2.gz MOKJXNISSOWILU-UHFFFAOYSA-N 0 0 455.946 4.877 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458349167 1067038728 /nfs/dbraw/zinc/03/87/28/1067038728.db2.gz SCNOJYNLIDXUEM-YWZLYKJASA-N 0 0 457.483 4.741 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(N[C@H]2CSc3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC001458355221 1067040942 /nfs/dbraw/zinc/04/09/42/1067040942.db2.gz MGGLGDGQEYVEOO-HNNXBMFYSA-N 0 0 459.325 4.581 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001458365053 1067042981 /nfs/dbraw/zinc/04/29/81/1067042981.db2.gz RDHOQPOIOMCKTO-NSHDSACASA-N 0 0 453.250 4.834 20 5 JJBDRN Cc1ccc([C@@H]2CCN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])C2)c(C)c1 ZINC001458369967 1067044171 /nfs/dbraw/zinc/04/41/71/1067044171.db2.gz QWZNMKILSMMZEL-HXUWFJFHSA-N 0 0 457.596 4.770 20 5 JJBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 ZINC001458371304 1067044372 /nfs/dbraw/zinc/04/43/72/1067044372.db2.gz XOLKAPVCPSWAGJ-UHFFFAOYSA-N 0 0 453.520 4.898 20 5 JJBDRN O=C1c2ccccc2C(=O)N1CCCCCCSc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001458373447 1067045378 /nfs/dbraw/zinc/04/53/78/1067045378.db2.gz SEJKDVIXFOAQJB-UHFFFAOYSA-N 0 0 453.442 4.957 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC001458382037 1067047150 /nfs/dbraw/zinc/04/71/50/1067047150.db2.gz LDHCNWKWSRLPGJ-GOSISDBHSA-N 0 0 458.367 4.806 20 5 JJBDRN Cc1c(Br)cccc1C[C@H](CO)CNc1c(Br)cccc1[N+](=O)[O-] ZINC001458385981 1067047869 /nfs/dbraw/zinc/04/78/69/1067047869.db2.gz VAAXMBGWHGABRF-LBPRGKRZSA-N 0 0 458.150 4.691 20 5 JJBDRN C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001458412424 1067055486 /nfs/dbraw/zinc/05/54/86/1067055486.db2.gz HEOBXUCYBQIFOE-YLJYHZDGSA-N 0 0 453.539 4.813 20 5 JJBDRN Nc1c(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc(Br)cc1[N+](=O)[O-] ZINC001450162192 1067056827 /nfs/dbraw/zinc/05/68/27/1067056827.db2.gz XGMDACPYWLWQBC-ZDUSSCGKSA-N 0 0 456.749 4.600 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1c1cccc(F)c1 ZINC001458434365 1067059354 /nfs/dbraw/zinc/05/93/54/1067059354.db2.gz MCYWNPOGZDOYDC-VQTJNVASSA-N 0 0 452.486 4.779 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCc2oc(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC001450215418 1067060880 /nfs/dbraw/zinc/06/08/80/1067060880.db2.gz NQOHTCHOWRCUHZ-UHFFFAOYSA-N 0 0 453.520 4.898 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ncc(Cl)n1C)SC ZINC001545772874 1067062764 /nfs/dbraw/zinc/06/27/64/1067062764.db2.gz PIXFTFCWNUFHMN-UHFFFAOYSA-N 0 0 478.022 4.798 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001458447315 1067063392 /nfs/dbraw/zinc/06/33/92/1067063392.db2.gz IDRBBXVZBXLMOH-DHIUTWEWSA-N 0 0 455.511 4.859 20 5 JJBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(C(F)(F)F)nc1Cl ZINC001450266584 1067066623 /nfs/dbraw/zinc/06/66/23/1067066623.db2.gz DFYKYTZEENAORK-ZETCQYMHSA-N 0 0 452.614 4.916 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCCN(c4ccccc4F)C3)cc2[N+](=O)[O-])C1 ZINC001458461848 1067068501 /nfs/dbraw/zinc/06/85/01/1067068501.db2.gz KBZXLPAUXLHABC-NSHGMRRFSA-N 0 0 454.546 4.615 20 5 JJBDRN COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)c2c1 ZINC001458547288 1067085567 /nfs/dbraw/zinc/08/55/67/1067085567.db2.gz IOPCHWMZIHIYGV-DEOSSOPVSA-N 0 0 458.559 4.919 20 5 JJBDRN C[C@H](O)C[C@@H]1CCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001546023992 1067086586 /nfs/dbraw/zinc/08/65/86/1067086586.db2.gz RIPFRSMKDDITIV-XPETWMSZSA-N 0 0 451.548 4.897 20 5 JJBDRN CC(C)(C)CCN(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458555881 1067087260 /nfs/dbraw/zinc/08/72/60/1067087260.db2.gz UDWHXTCOMYCVDG-UHFFFAOYSA-N 0 0 459.612 4.865 20 5 JJBDRN CC[C@@H](OC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cccc([N+](=O)[O-])c1 ZINC001458571315 1067089847 /nfs/dbraw/zinc/08/98/47/1067089847.db2.gz MCIBWOXNOSMLDQ-UYAOXDASSA-N 0 0 457.552 4.541 20 5 JJBDRN Nc1c(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)cc2ccccc2c1[N+](=O)[O-] ZINC001458607124 1067093869 /nfs/dbraw/zinc/09/38/69/1067093869.db2.gz YPQURQKICXQZPJ-UHFFFAOYSA-N 0 0 458.261 4.575 20 5 JJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450605570 1067094523 /nfs/dbraw/zinc/09/45/23/1067094523.db2.gz LGGRAOGDPMHLMM-JLTOFOAXSA-N 0 0 459.296 4.689 20 5 JJBDRN C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612822 1067095292 /nfs/dbraw/zinc/09/52/92/1067095292.db2.gz DDEILWVCQOKPMB-GFCCVEGCSA-N 0 0 459.384 4.604 20 5 JJBDRN Nc1ccc(NC(=O)c2cccnc2SCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001450766483 1067117540 /nfs/dbraw/zinc/11/75/40/1067117540.db2.gz CLCJQVXSIPOQAE-UHFFFAOYSA-N 0 0 459.325 4.879 20 5 JJBDRN Cc1cc(Cl)c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC001450783838 1067121051 /nfs/dbraw/zinc/12/10/51/1067121051.db2.gz VTUAGAZPHNCNJV-UHFFFAOYSA-N 0 0 459.911 4.751 20 5 JJBDRN COc1ccc([C@@H](CCO)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC001545806974 1067123629 /nfs/dbraw/zinc/12/36/29/1067123629.db2.gz WLFCTNCGQYLESM-HXUWFJFHSA-N 0 0 456.882 4.903 20 5 JJBDRN O=Cc1ccc(OCC(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)c([N+](=O)[O-])c1 ZINC001545808595 1067135062 /nfs/dbraw/zinc/13/50/62/1067135062.db2.gz CQUFHQIPUFKAMJ-UHFFFAOYSA-N 0 0 450.838 4.622 20 5 JJBDRN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3Br)o2)cc1OC ZINC001458769565 1067136778 /nfs/dbraw/zinc/13/67/78/1067136778.db2.gz LEIQVOMLRRLSCS-UHFFFAOYSA-N 0 0 452.286 4.717 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)OCc2ccc(SCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC001458770048 1067137276 /nfs/dbraw/zinc/13/72/76/1067137276.db2.gz WVFLXTFOSGGTPA-UHFFFAOYSA-N 0 0 457.529 4.648 20 5 JJBDRN CC(C)OCc1cccc(CNC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001458972139 1067213847 /nfs/dbraw/zinc/21/38/47/1067213847.db2.gz YIYICDFRJQVLFM-UHFFFAOYSA-N 0 0 453.358 4.691 20 5 JJBDRN O=[N+]([O-])c1cccc(CSc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1Br ZINC001458979080 1067216187 /nfs/dbraw/zinc/21/61/87/1067216187.db2.gz GRMMQENUSQKSOD-UHFFFAOYSA-N 0 0 456.261 4.943 20 5 JJBDRN O=C(OCc1ccc(I)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC001458980027 1067216714 /nfs/dbraw/zinc/21/67/14/1067216714.db2.gz JCJWJRINYDOVDS-UHFFFAOYSA-N 0 0 451.138 4.575 20 5 JJBDRN CCCOc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cc1 ZINC001458988266 1067221176 /nfs/dbraw/zinc/22/11/76/1067221176.db2.gz NQMJNJOSKBIKAV-UHFFFAOYSA-N 0 0 454.264 4.560 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(COc2cc(F)ccc2Br)c1 ZINC001459003010 1067226273 /nfs/dbraw/zinc/22/62/73/1067226273.db2.gz VDIPSSBCNZAHGY-UHFFFAOYSA-N 0 0 452.017 4.680 20 5 JJBDRN CC(C)Oc1cccc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC001459015999 1067229721 /nfs/dbraw/zinc/22/97/21/1067229721.db2.gz HTEXNHFNTBDLJR-GFCCVEGCSA-N 0 0 455.248 4.905 20 5 JJBDRN O=C(COc1cc([N+](=O)[O-])ccc1I)c1c(Cl)cccc1Cl ZINC001459028847 1067232670 /nfs/dbraw/zinc/23/26/70/1067232670.db2.gz AEJAIKAMXCMYKN-UHFFFAOYSA-N 0 0 452.031 4.768 20 5 JJBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001459029905 1067233148 /nfs/dbraw/zinc/23/31/48/1067233148.db2.gz FYHRBSNEOSIWEE-SGTLLEGYSA-N 0 0 453.720 4.542 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2C1 ZINC001459042879 1067237934 /nfs/dbraw/zinc/23/79/34/1067237934.db2.gz OSNSUAAWSBHLNV-UHFFFAOYSA-N 0 0 453.520 4.990 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001452753675 1067248479 /nfs/dbraw/zinc/24/84/79/1067248479.db2.gz AJTIQAARFIZWCG-MRXNPFEDSA-N 0 0 455.515 4.551 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001452753671 1067248509 /nfs/dbraw/zinc/24/85/09/1067248509.db2.gz AJTIQAARFIZWCG-INIZCTEOSA-N 0 0 455.515 4.551 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001459119826 1067254999 /nfs/dbraw/zinc/25/49/99/1067254999.db2.gz HDFLMUWRJXLBCV-SPLOXXLWSA-N 0 0 453.322 4.675 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001459128418 1067257597 /nfs/dbraw/zinc/25/75/97/1067257597.db2.gz CTAOGGZTXQCFKX-KRWDZBQOSA-N 0 0 455.414 4.761 20 5 JJBDRN O=C(Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001459144232 1067260128 /nfs/dbraw/zinc/26/01/28/1067260128.db2.gz UPRMBFVQWAHNNG-UHFFFAOYSA-N 0 0 453.882 4.720 20 5 JJBDRN C[C@@H](Sc1nccc(-c2ccc(Br)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459161894 1067263985 /nfs/dbraw/zinc/26/39/85/1067263985.db2.gz BSYMCTGJXGGEOZ-GFCCVEGCSA-N 0 0 459.325 4.934 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC001459169754 1067265647 /nfs/dbraw/zinc/26/56/47/1067265647.db2.gz RLBKFNJSNLEZRI-UHFFFAOYSA-N 0 0 455.608 4.548 20 5 JJBDRN CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CCO2 ZINC001459221932 1067272927 /nfs/dbraw/zinc/27/29/27/1067272927.db2.gz NSNJLTUNSRBYQU-CBGDNZLLSA-N 0 0 453.539 4.729 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459236523 1067275757 /nfs/dbraw/zinc/27/57/57/1067275757.db2.gz KCYVQJKYUWJOSC-KRWDZBQOSA-N 0 0 451.292 4.923 20 5 JJBDRN Cc1nc2cc(Br)cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2o1 ZINC001459259573 1067278665 /nfs/dbraw/zinc/27/86/65/1067278665.db2.gz DWFORGWEENHCOE-QMMMGPOBSA-N 0 0 454.664 4.866 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001459317877 1067293205 /nfs/dbraw/zinc/29/32/05/1067293205.db2.gz BFTJBLNCSKRWAC-RHSMWYFYSA-N 0 0 452.429 4.985 20 5 JJBDRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001459335167 1067297318 /nfs/dbraw/zinc/29/73/18/1067297318.db2.gz OOIWVHMAGOXFBI-UHFFFAOYSA-N 0 0 454.508 4.995 20 5 JJBDRN COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001459385589 1067310218 /nfs/dbraw/zinc/31/02/18/1067310218.db2.gz HDXHIQKPUBGBMF-ZDUSSCGKSA-N 0 0 459.852 4.915 20 5 JJBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001459412784 1067317268 /nfs/dbraw/zinc/31/72/68/1067317268.db2.gz LCXYHSKMXNOOIN-UHFFFAOYSA-N 0 0 458.493 4.830 20 5 JJBDRN O=C(Oc1cnc2c(Br)cccc2c1)c1cccc([N+](=O)[O-])c1Br ZINC001459418807 1067319409 /nfs/dbraw/zinc/31/94/09/1067319409.db2.gz WAYGVWJLFQIRMQ-UHFFFAOYSA-N 0 0 452.058 4.887 20 5 JJBDRN CCOc1ccccc1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001459417482 1067319543 /nfs/dbraw/zinc/31/95/43/1067319543.db2.gz WHJIJZZYQFEDHM-AWEZNQCLSA-N 0 0 452.338 4.647 20 5 JJBDRN CCc1cc(Br)cc2sc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)nc21 ZINC001459420946 1067320395 /nfs/dbraw/zinc/32/03/95/1067320395.db2.gz IKXJBPPACBRSJC-UHFFFAOYSA-N 0 0 450.314 4.855 20 5 JJBDRN C[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@]1(C)CO ZINC001453683440 1067321996 /nfs/dbraw/zinc/32/19/96/1067321996.db2.gz CUDYWYSRZNLSCM-PPUOVEETSA-N 0 0 451.548 4.612 20 5 JJBDRN CCn1c(SCC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)nnc1-c1ccccc1C ZINC001453751117 1067327170 /nfs/dbraw/zinc/32/71/70/1067327170.db2.gz NSSCDVRSFKIGLE-UHFFFAOYSA-N 0 0 451.552 4.643 20 5 JJBDRN Cc1nnc(SCC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1-c1cc(C)ccc1C ZINC001453748700 1067327268 /nfs/dbraw/zinc/32/72/68/1067327268.db2.gz ISTCWRJKSQXCMR-UHFFFAOYSA-N 0 0 451.552 4.562 20 5 JJBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001459459882 1067329665 /nfs/dbraw/zinc/32/96/65/1067329665.db2.gz COTZWXMDFKEKPX-QGZVFWFLSA-N 0 0 459.506 4.624 20 5 JJBDRN CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC001459470350 1067333174 /nfs/dbraw/zinc/33/31/74/1067333174.db2.gz WFIKQAYYUSQKGM-QFIPXVFZSA-N 0 0 453.539 4.900 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3[C@H](c4ccccc4)C3(C)C)cc2)cc1[N+](=O)[O-] ZINC001453877103 1067333519 /nfs/dbraw/zinc/33/35/19/1067333519.db2.gz GXXMZNZJPLIPJD-GOTSBHOMSA-N 0 0 479.558 4.626 20 5 JJBDRN CCCN(C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001459489122 1067337021 /nfs/dbraw/zinc/33/70/21/1067337021.db2.gz UMFJVCINXABVNG-UHFFFAOYSA-N 0 0 452.532 4.934 20 5 JJBDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001459579206 1067355855 /nfs/dbraw/zinc/35/58/55/1067355855.db2.gz LKLYDKXCZPITPR-ZWKOTPCHSA-N 0 0 451.420 4.641 20 5 JJBDRN CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1[N+](=O)[O-] ZINC001459593404 1067359155 /nfs/dbraw/zinc/35/91/55/1067359155.db2.gz YJTRFCYEXBYPIG-UHFFFAOYSA-N 0 0 454.533 4.886 20 5 JJBDRN Cc1cc(Cl)c(C(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] ZINC001459621764 1067366257 /nfs/dbraw/zinc/36/62/57/1067366257.db2.gz ZFLHKLBOCSFXKW-UHFFFAOYSA-N 0 0 454.914 4.606 20 5 JJBDRN COc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)cc([N+](=O)[O-])c1C ZINC001459647187 1067370996 /nfs/dbraw/zinc/37/09/96/1067370996.db2.gz FAJZHKIRWAYSKY-UHFFFAOYSA-N 0 0 451.426 4.937 20 5 JJBDRN CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(=O)Nc1ccccc1C ZINC001459687363 1067383798 /nfs/dbraw/zinc/38/37/98/1067383798.db2.gz APGRSVCIKCQIGF-MRXNPFEDSA-N 0 0 452.536 4.906 20 5 JJBDRN COc1cccc(C(=O)c2ccc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)c1 ZINC001459741029 1067401448 /nfs/dbraw/zinc/40/14/48/1067401448.db2.gz BINFHJDBKLLYOV-UHFFFAOYSA-N 0 0 458.392 4.783 20 5 JJBDRN O=C(CSCc1coc(-c2ccccc2)n1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001459740809 1067401457 /nfs/dbraw/zinc/40/14/57/1067401457.db2.gz ABGWFOMEAZHCAB-UHFFFAOYSA-N 0 0 451.426 4.818 20 5 JJBDRN O=C(Cc1c(Cl)cccc1Br)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001459743559 1067403046 /nfs/dbraw/zinc/40/30/46/1067403046.db2.gz PVZXAEOZKXARFU-UHFFFAOYSA-N 0 0 451.626 4.888 20 5 JJBDRN CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC001459820721 1067438336 /nfs/dbraw/zinc/43/83/36/1067438336.db2.gz UKYOGEGPZJRINP-UHFFFAOYSA-N 0 0 453.930 4.721 20 5 JJBDRN COc1ccc(NC(=O)[C@H](C)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001459826858 1067441213 /nfs/dbraw/zinc/44/12/13/1067441213.db2.gz SYZWNLSHYJDNGF-AWEZNQCLSA-N 0 0 451.445 4.829 20 5 JJBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001459851133 1067456270 /nfs/dbraw/zinc/45/62/70/1067456270.db2.gz UGBJGYRNLBPSSU-UHFFFAOYSA-N 0 0 455.355 4.922 20 5 JJBDRN O=C(CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459925317 1067494447 /nfs/dbraw/zinc/49/44/47/1067494447.db2.gz SMURDTXQABYEAV-HNNXBMFYSA-N 0 0 453.751 4.681 20 5 JJBDRN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001459964260 1067509655 /nfs/dbraw/zinc/50/96/55/1067509655.db2.gz YAPCBJDHKHKSNK-OAHLLOKOSA-N 0 0 453.308 4.686 20 5 JJBDRN O=C(N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001459974497 1067511833 /nfs/dbraw/zinc/51/18/33/1067511833.db2.gz JMZWIPOKPRYXTB-OAHLLOKOSA-N 0 0 457.657 4.826 20 5 JJBDRN Cc1cc(OCC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)ccc1[N+](=O)[O-] ZINC001459975508 1067512496 /nfs/dbraw/zinc/51/24/96/1067512496.db2.gz LYBBMSAENKTNLP-SFHVURJKSA-N 0 0 456.713 4.991 20 5 JJBDRN O=C(Nc1ccc2nccnc2c1Br)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001459980276 1067514351 /nfs/dbraw/zinc/51/43/51/1067514351.db2.gz LDTLDIRJHHBOGB-UHFFFAOYSA-N 0 0 456.281 4.676 20 5 JJBDRN Cc1cc(Br)c2c(c1)CN([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC001459987713 1067516706 /nfs/dbraw/zinc/51/67/06/1067516706.db2.gz UEOKQHLNBFZHRW-GFCCVEGCSA-N 0 0 452.736 4.704 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 ZINC001459996074 1067519594 /nfs/dbraw/zinc/51/95/94/1067519594.db2.gz RQMLQVPQQZBMQY-OAHLLOKOSA-N 0 0 450.413 4.810 20 5 JJBDRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460002929 1067522436 /nfs/dbraw/zinc/52/24/36/1067522436.db2.gz DMGBVRBBXHXCHK-LBPRGKRZSA-N 0 0 453.720 4.671 20 5 JJBDRN CC1CCN(C(=O)OC[C@H]2CCCCN2Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001460066779 1067544230 /nfs/dbraw/zinc/54/42/30/1067544230.db2.gz CFTKNRWCYCITQF-GOSISDBHSA-N 0 0 454.365 4.580 20 5 JJBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001460100596 1067555200 /nfs/dbraw/zinc/55/52/00/1067555200.db2.gz PIACLIYDZJQDNS-DJCROIMJSA-N 0 0 455.367 4.561 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001460109895 1067556584 /nfs/dbraw/zinc/55/65/84/1067556584.db2.gz GUVSLJRCCXSLQR-MOPGFXCFSA-N 0 0 451.552 4.578 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001460109901 1067556892 /nfs/dbraw/zinc/55/68/92/1067556892.db2.gz GUVSLJRCCXSLQR-OALUTQOASA-N 0 0 451.552 4.578 20 5 JJBDRN CCN(C[C@@H](C)OC)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144597 1067563845 /nfs/dbraw/zinc/56/38/45/1067563845.db2.gz XGHOAPBJRJQMKI-IERDGZPVSA-N 0 0 454.552 4.755 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)NC3(C(C)(C)c4ccc(F)cc4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC001460151385 1067565741 /nfs/dbraw/zinc/56/57/41/1067565741.db2.gz FBVAGUXIKCXFLU-UHFFFAOYSA-N 0 0 450.514 4.836 20 5 JJBDRN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460172678 1067570153 /nfs/dbraw/zinc/57/01/53/1067570153.db2.gz GYROCWSDJFMOOJ-IBGZPJMESA-N 0 0 451.445 4.794 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)o1 ZINC001460178092 1067571869 /nfs/dbraw/zinc/57/18/69/1067571869.db2.gz WVYXFVGRXZAMDG-YADHBBJMSA-N 0 0 450.882 4.863 20 5 JJBDRN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)c1ccc([N+](=O)[O-])cc1Br ZINC001460230479 1067584966 /nfs/dbraw/zinc/58/49/66/1067584966.db2.gz NLHOIXMMULPPIW-CQSZACIVSA-N 0 0 458.081 4.676 20 5 JJBDRN Cc1c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001460232550 1067585690 /nfs/dbraw/zinc/58/56/90/1067585690.db2.gz QBRUFOITUFQOMQ-WIYYLYMNSA-N 0 0 471.529 4.813 20 5 JJBDRN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460244359 1067589943 /nfs/dbraw/zinc/58/99/43/1067589943.db2.gz ANXSXUUOKGAVNL-FOIQADDNSA-N 0 0 457.424 4.593 20 5 JJBDRN CC(C)(C)OC(=O)c1ccccc1OCCN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460248614 1067591063 /nfs/dbraw/zinc/59/10/63/1067591063.db2.gz RVZWWECBGUMSQR-SFHVURJKSA-N 0 0 458.408 4.961 20 5 JJBDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460250728 1067591584 /nfs/dbraw/zinc/59/15/84/1067591584.db2.gz XFIRDKDXSRTSDV-FKIZINRSSA-N 0 0 453.392 4.893 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319820 1067607347 /nfs/dbraw/zinc/60/73/47/1067607347.db2.gz YWYOPXKRVOYGOL-RLLQIKCJSA-N 0 0 453.967 4.675 20 5 JJBDRN COC(=O)C(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1 ZINC001460325527 1067608505 /nfs/dbraw/zinc/60/85/05/1067608505.db2.gz QPPBUSPDFODOQQ-UHFFFAOYSA-N 0 0 457.533 4.905 20 5 JJBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCS[C@@H](c2ccccc2)C1 ZINC001460357902 1067616936 /nfs/dbraw/zinc/61/69/36/1067616936.db2.gz DQDJZNSTYNWJHB-FOIQADDNSA-N 0 0 454.577 4.835 20 5 JJBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC001460430850 1067633552 /nfs/dbraw/zinc/63/35/52/1067633552.db2.gz GJRVCSMBFMHLMS-CQSZACIVSA-N 0 0 452.492 4.556 20 5 JJBDRN O=C(N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001460465811 1067639060 /nfs/dbraw/zinc/63/90/60/1067639060.db2.gz YKQKXRGLPHMIJQ-GCJKJVERSA-N 0 0 456.857 4.568 20 5 JJBDRN COc1cc(C(=O)Nc2ncc(-c3ccc(Br)cc3)s2)c([N+](=O)[O-])cc1F ZINC001460586208 1067662749 /nfs/dbraw/zinc/66/27/49/1067662749.db2.gz HBGQJEBRRSVSTG-UHFFFAOYSA-N 0 0 452.261 4.881 20 5 JJBDRN C[C@H]1CN(c2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)C[C@H](C)O1 ZINC001460600043 1067666522 /nfs/dbraw/zinc/66/65/22/1067666522.db2.gz STMPBFANZBSSQW-HOTGVXAUSA-N 0 0 453.520 4.689 20 5 JJBDRN CN(CC(=O)Nc1ccc(Oc2cccnc2)cc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001460682365 1067700262 /nfs/dbraw/zinc/70/02/62/1067700262.db2.gz ZYIGUAOADMCHPI-UHFFFAOYSA-N 0 0 457.284 4.620 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)c1 ZINC001460735285 1067712145 /nfs/dbraw/zinc/71/21/45/1067712145.db2.gz FUXHILALVNVCFM-HXUWFJFHSA-N 0 0 457.552 4.751 20 5 JJBDRN Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001460745271 1067714034 /nfs/dbraw/zinc/71/40/34/1067714034.db2.gz NJXILITZERLKRG-LEWJYISDSA-N 0 0 457.502 4.565 20 5 JJBDRN C[C@H](c1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1)C(F)(F)F ZINC001460754016 1067716886 /nfs/dbraw/zinc/71/68/86/1067716886.db2.gz APBAVCACAZKTFG-IUODEOHRSA-N 0 0 456.442 4.670 20 5 JJBDRN COc1cc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460828303 1067730529 /nfs/dbraw/zinc/73/05/29/1067730529.db2.gz NUIMXHYFARORFL-FCHUYYIVSA-N 0 0 456.539 4.894 20 5 JJBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001460915309 1067747464 /nfs/dbraw/zinc/74/74/64/1067747464.db2.gz DKHYHWNAZYDXOI-CYBMUJFWSA-N 0 0 450.322 4.824 20 5 JJBDRN CC[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)CC(F)(F)F ZINC001461000824 1067760606 /nfs/dbraw/zinc/76/06/06/1067760606.db2.gz SNZWFNCNNQHGHD-LBPRGKRZSA-N 0 0 455.399 4.925 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001461007019 1067761240 /nfs/dbraw/zinc/76/12/40/1067761240.db2.gz JLOVOEXIDKNJIJ-AEFFLSMTSA-N 0 0 457.914 4.779 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H](C)c3nc(C(F)(F)F)no3)cc2[N+](=O)[O-])cc1 ZINC001461009326 1067761665 /nfs/dbraw/zinc/76/16/65/1067761665.db2.gz MBHHPMXODBFUPN-LLVKDONJSA-N 0 0 452.414 4.947 20 5 JJBDRN COc1c(C)cccc1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001461214492 1067800832 /nfs/dbraw/zinc/80/08/32/1067800832.db2.gz FQYHOZGGIFRTBF-UHFFFAOYSA-N 0 0 450.516 4.795 20 5 JJBDRN COc1ccc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461233042 1067805410 /nfs/dbraw/zinc/80/54/10/1067805410.db2.gz LBTKKXFXXKLGBX-HSZRJFAPSA-N 0 0 450.491 4.962 20 5 JJBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cnn1-c1ccc(F)cc1F ZINC001461244555 1067808332 /nfs/dbraw/zinc/80/83/32/1067808332.db2.gz GILWOQDWAJRJNB-UHFFFAOYSA-N 0 0 451.227 4.690 20 5 JJBDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001461274002 1067816007 /nfs/dbraw/zinc/81/60/07/1067816007.db2.gz GYJHWXWWLACYEB-AWEZNQCLSA-N 0 0 451.570 4.703 20 5 JJBDRN Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461313365 1067825935 /nfs/dbraw/zinc/82/59/35/1067825935.db2.gz BPRAFPMCEVQVAD-UHFFFAOYSA-N 0 0 456.384 4.546 20 5 JJBDRN Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461316636 1067826639 /nfs/dbraw/zinc/82/66/39/1067826639.db2.gz NFSJZRYHDWOHTP-UHFFFAOYSA-N 0 0 456.384 4.546 20 5 JJBDRN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001461320823 1067827465 /nfs/dbraw/zinc/82/74/65/1067827465.db2.gz HIMNLOFNXYRYGV-QHCPKHFHSA-N 0 0 457.914 4.560 20 5 JJBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001461450815 1067859717 /nfs/dbraw/zinc/85/97/17/1067859717.db2.gz MWCQVLSYXJBQRF-UHFFFAOYSA-N 0 0 454.368 4.948 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cc1OC ZINC001461451638 1067859851 /nfs/dbraw/zinc/85/98/51/1067859851.db2.gz OZGVRWFLRMBUHV-UHFFFAOYSA-N 0 0 456.495 4.550 20 5 JJBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC[C@@H]1c1cccc(Br)c1 ZINC001461594051 1067896446 /nfs/dbraw/zinc/89/64/46/1067896446.db2.gz GGHBAVNSCHPNPQ-MRXNPFEDSA-N 0 0 459.218 4.590 20 5 JJBDRN Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001461679877 1067917168 /nfs/dbraw/zinc/91/71/68/1067917168.db2.gz GPDIWFAGHDYKCP-UHFFFAOYSA-N 0 0 455.417 4.732 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461708252 1067922777 /nfs/dbraw/zinc/92/27/77/1067922777.db2.gz YKFFFEAPXNZQGZ-SFHVURJKSA-N 0 0 450.413 4.695 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)cc1 ZINC001461731797 1067927007 /nfs/dbraw/zinc/92/70/07/1067927007.db2.gz YDNSPPVSOQLTKL-GOTSBHOMSA-N 0 0 480.542 4.593 20 5 JJBDRN CCOc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1C ZINC001461775778 1067935335 /nfs/dbraw/zinc/93/53/35/1067935335.db2.gz ONXFWBNGFFIDBS-UHFFFAOYSA-N 0 0 452.433 4.571 20 5 JJBDRN COc1cc(C(=O)Nc2c3c(nn2C)CCCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461880242 1067953299 /nfs/dbraw/zinc/95/32/99/1067953299.db2.gz DKUKYZUUHRSJSL-UHFFFAOYSA-N 0 0 456.886 4.914 20 5 JJBDRN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC001461945969 1067966396 /nfs/dbraw/zinc/96/63/96/1067966396.db2.gz KHHGRDVWMJZMHH-MRXNPFEDSA-N 0 0 452.366 4.907 20 5 JJBDRN O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1=Cc2cc(Br)ccc2OC1 ZINC001461946761 1067966738 /nfs/dbraw/zinc/96/67/38/1067966738.db2.gz NOPOFAMCPOCSTE-MRXNPFEDSA-N 0 0 458.186 4.980 20 5 JJBDRN COC(=O)[C@](C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001462018447 1067982343 /nfs/dbraw/zinc/98/23/43/1067982343.db2.gz BYSUQNSMVKKCIA-AREMUKBSSA-N 0 0 455.470 4.628 20 5 JJBDRN Cn1cc(C(=O)NCCc2ccccc2OCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001462025303 1067983696 /nfs/dbraw/zinc/98/36/96/1067983696.db2.gz XRKVBKKMFYTYBK-UHFFFAOYSA-N 0 0 456.502 4.547 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CCC1 ZINC001546130990 1068056336 /nfs/dbraw/zinc/05/63/36/1068056336.db2.gz LPCBPYMXUGFBQW-UHFFFAOYSA-N 0 0 468.602 4.517 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001462570154 1068100689 /nfs/dbraw/zinc/10/06/89/1068100689.db2.gz SMSJTLKYJHIFGI-MRXNPFEDSA-N 0 0 457.552 4.732 20 5 JJBDRN C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001462577799 1068103166 /nfs/dbraw/zinc/10/31/66/1068103166.db2.gz AUAHYPDEISKSTR-IERDGZPVSA-N 0 0 451.910 4.987 20 5 JJBDRN CCOC(=O)c1cc(C(=O)NCc2cc(Br)c3ccccc3c2)cc([N+](=O)[O-])c1 ZINC001462703970 1068136464 /nfs/dbraw/zinc/13/64/64/1068136464.db2.gz DEXUJQXYXSOMBO-UHFFFAOYSA-N 0 0 457.280 4.617 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462754135 1068156501 /nfs/dbraw/zinc/15/65/01/1068156501.db2.gz OBSJACYFOGLSAX-QFIPXVFZSA-N 0 0 458.561 4.612 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001462825657 1068178114 /nfs/dbraw/zinc/17/81/14/1068178114.db2.gz JAJVSUZGTJVWOL-PGRDOPGGSA-N 0 0 477.533 4.713 20 5 JJBDRN CC(C)(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC001462843014 1068186798 /nfs/dbraw/zinc/18/67/98/1068186798.db2.gz FQJIGNDHJDBIAW-INIZCTEOSA-N 0 0 459.337 4.952 20 5 JJBDRN CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001462870464 1068197904 /nfs/dbraw/zinc/19/79/04/1068197904.db2.gz UIPBZBVMMSFTCM-UHFFFAOYSA-N 0 0 453.731 4.645 20 5 JJBDRN COc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1 ZINC001462876385 1068199406 /nfs/dbraw/zinc/19/94/06/1068199406.db2.gz VWAQUAUUUGJBDY-QGZVFWFLSA-N 0 0 456.520 4.530 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC001462954401 1068228099 /nfs/dbraw/zinc/22/80/99/1068228099.db2.gz KIWDHPIFHOJMSO-UHFFFAOYSA-N 0 0 459.749 4.672 20 5 JJBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Br)c(OCCC2CCCCC2)c1 ZINC001462954355 1068228287 /nfs/dbraw/zinc/22/82/87/1068228287.db2.gz WDSPBFRGPZRYNA-UHFFFAOYSA-N 0 0 451.321 4.542 20 5 JJBDRN CC(C)(C)OC(=O)NCC[C@H]1Cc2ccccc2N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001462982982 1068239406 /nfs/dbraw/zinc/23/94/06/1068239406.db2.gz ZQEKOVOWPKUYRG-HNNXBMFYSA-N 0 0 459.930 4.982 20 5 JJBDRN Cc1cccc(COc2ccc([C@H](C)NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001463003596 1068245661 /nfs/dbraw/zinc/24/56/61/1068245661.db2.gz APPMWQOQHOBIKR-IBGZPJMESA-N 0 0 454.548 4.705 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCCC3)c3c2cccc3F)c(Br)c1 ZINC001463009949 1068249761 /nfs/dbraw/zinc/24/97/61/1068249761.db2.gz OQZWAYSHQBPNPB-UHFFFAOYSA-N 0 0 455.305 4.517 20 5 JJBDRN COC(=O)c1cccc2c1CCN2C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001463017392 1068253197 /nfs/dbraw/zinc/25/31/97/1068253197.db2.gz MIRAMZWKGZJNOW-UHFFFAOYSA-N 0 0 455.517 4.500 20 5 JJBDRN CCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccc(OC)cc1 ZINC001463038580 1068260110 /nfs/dbraw/zinc/26/01/10/1068260110.db2.gz GRBWSGUGVURBFN-KRWDZBQOSA-N 0 0 457.346 4.576 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(Cl)c1 ZINC001463049457 1068265609 /nfs/dbraw/zinc/26/56/09/1068265609.db2.gz RGRMEGYWSXRSST-QFIPXVFZSA-N 0 0 458.923 4.641 20 5 JJBDRN COc1ccc(CCN(CC(C)(C)C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC001463090042 1068283527 /nfs/dbraw/zinc/28/35/27/1068283527.db2.gz MYOVYRWUQHHILA-UHFFFAOYSA-N 0 0 454.976 4.845 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001463154152 1068305814 /nfs/dbraw/zinc/30/58/14/1068305814.db2.gz AMJCEUWATMPTID-UHFFFAOYSA-N 0 0 459.351 4.641 20 5 JJBDRN O=C(Nc1ccc(I)c(Cl)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001463166340 1068308487 /nfs/dbraw/zinc/30/84/87/1068308487.db2.gz HUAJJOJXSUUKII-UHFFFAOYSA-N 0 0 452.582 4.583 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3cc(-c4ccccc4)oc3C2)c(Cl)cc1Cl ZINC001463225055 1068326592 /nfs/dbraw/zinc/32/65/92/1068326592.db2.gz TUCGQYLFYWHTNI-UHFFFAOYSA-N 0 0 453.303 4.909 20 5 JJBDRN CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001463236644 1068330768 /nfs/dbraw/zinc/33/07/68/1068330768.db2.gz JNNDETUSOPTDRM-UHFFFAOYSA-N 0 0 459.321 4.748 20 5 JJBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463253706 1068335891 /nfs/dbraw/zinc/33/58/91/1068335891.db2.gz SPQNDHNFZDQCAC-SJORKVTESA-N 0 0 453.358 4.704 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2F)C2CCCC2)c(Br)c1 ZINC001463280216 1068343155 /nfs/dbraw/zinc/34/31/55/1068343155.db2.gz AXZLFAAMPPUIFV-SFHVURJKSA-N 0 0 457.321 4.706 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H](C1CCCCC1)C2 ZINC001463297954 1068348787 /nfs/dbraw/zinc/34/87/87/1068348787.db2.gz QYIWIEQWAXZKJI-IBGZPJMESA-N 0 0 450.582 4.669 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)c(F)c1 ZINC001463312458 1068352485 /nfs/dbraw/zinc/35/24/85/1068352485.db2.gz QOZFOFDEAHFPEI-UHFFFAOYSA-N 0 0 457.321 4.630 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC001463322628 1068356155 /nfs/dbraw/zinc/35/61/55/1068356155.db2.gz PIAUBVVRKJHXFN-IBGZPJMESA-N 0 0 452.319 4.673 20 5 JJBDRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001463323649 1068356439 /nfs/dbraw/zinc/35/64/39/1068356439.db2.gz HNSKURJOOMRYAO-UHFFFAOYSA-N 0 0 453.539 4.574 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1Cl ZINC001463325900 1068356990 /nfs/dbraw/zinc/35/69/90/1068356990.db2.gz XSJNMXYIDUEJQR-AWEZNQCLSA-N 0 0 456.307 4.959 20 5 JJBDRN CCOc1ccc(C2=CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC2)cc1 ZINC001463345880 1068365691 /nfs/dbraw/zinc/36/56/91/1068365691.db2.gz DBGLFPACDYAEFE-UHFFFAOYSA-N 0 0 457.335 4.778 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CCCSC[C@H]2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC001463363014 1068371713 /nfs/dbraw/zinc/37/17/13/1068371713.db2.gz XNWKUZADLXOAIP-UGSOOPFHSA-N 0 0 454.474 4.673 20 5 JJBDRN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001463363255 1068372463 /nfs/dbraw/zinc/37/24/63/1068372463.db2.gz WQPQYKJDPNSZHK-STQMWFEESA-N 0 0 453.442 4.632 20 5 JJBDRN COc1cc(C(=O)N=[S@@](C)(=O)c2ccccc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001463373283 1068375701 /nfs/dbraw/zinc/37/57/01/1068375701.db2.gz XWEVRBHQPJSFBM-YTTGMZPUSA-N 0 0 458.467 4.619 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001463402045 1068385430 /nfs/dbraw/zinc/38/54/30/1068385430.db2.gz XJODTXZXALLESN-NZQKXSOJSA-N 0 0 452.532 4.743 20 5 JJBDRN COc1c(F)cc(S(=O)(=O)NCC2(c3ccccc3Cl)CCCCC2)cc1[N+](=O)[O-] ZINC001463445041 1068399254 /nfs/dbraw/zinc/39/92/54/1068399254.db2.gz AMMFUIMIWKFDDH-UHFFFAOYSA-N 0 0 456.923 4.576 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001463452628 1068402951 /nfs/dbraw/zinc/40/29/51/1068402951.db2.gz QCXNFFZBCKNJBT-OAHLLOKOSA-N 0 0 451.951 4.795 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCCCC[C@@H]1CC(=O)c1cccs1 ZINC001463476988 1068414369 /nfs/dbraw/zinc/41/43/69/1068414369.db2.gz WTLCHLDMTPGRQA-CQSZACIVSA-N 0 0 456.973 4.824 20 5 JJBDRN CC(C)(C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC001463547528 1068437366 /nfs/dbraw/zinc/43/73/66/1068437366.db2.gz QXTJRDHAQYDASU-RYUDHWBXSA-N 0 0 451.358 4.770 20 5 JJBDRN CC[C@@H](CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1ccccc1 ZINC001463562670 1068445078 /nfs/dbraw/zinc/44/50/78/1068445078.db2.gz SMVWJNOUSGZXDP-HNNXBMFYSA-N 0 0 455.374 4.870 20 5 JJBDRN Cc1cc(OS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c(F)cc1[N+](=O)[O-] ZINC001463573644 1068451784 /nfs/dbraw/zinc/45/17/84/1068451784.db2.gz HCJYWGAHNLVDLN-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cscc3Cl)cc2)cc1[N+](=O)[O-] ZINC001463581199 1068454607 /nfs/dbraw/zinc/45/46/07/1068454607.db2.gz JGGQFDAENNPMDV-UHFFFAOYSA-N 0 0 451.913 4.671 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001463606304 1068463323 /nfs/dbraw/zinc/46/33/23/1068463323.db2.gz BOGXVZYHDFOSLI-UMSPYCQHSA-N 0 0 452.813 4.631 20 5 JJBDRN CC[C@@H]1Cc2c(Br)cccc2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001463608678 1068464785 /nfs/dbraw/zinc/46/47/85/1068464785.db2.gz WWEDLZLSNJPTCH-GFCCVEGCSA-N 0 0 459.749 4.536 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1C ZINC001463613579 1068467101 /nfs/dbraw/zinc/46/71/01/1068467101.db2.gz ZQISEQUFIONSAC-KRWDZBQOSA-N 0 0 457.321 4.639 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2Cl)c(C)cc1[N+](=O)[O-] ZINC001463633208 1068476359 /nfs/dbraw/zinc/47/63/59/1068476359.db2.gz VZDLDJKDEPDORT-UHFFFAOYSA-N 0 0 456.904 4.980 20 5 JJBDRN COc1ccccc1[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001463680953 1068491748 /nfs/dbraw/zinc/49/17/48/1068491748.db2.gz OEAAZVRBRJXQNN-GUYCJALGSA-N 0 0 458.458 4.784 20 5 JJBDRN CC[C@@](O)(C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 ZINC001463742516 1068509661 /nfs/dbraw/zinc/50/96/61/1068509661.db2.gz OZPNAZXPOBSGBL-QHCPKHFHSA-N 0 0 454.866 4.704 20 5 JJBDRN O=C(Nc1ccc(OC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001463742672 1068509764 /nfs/dbraw/zinc/50/97/64/1068509764.db2.gz QFBMJAKMSLFJPP-ZWKOTPCHSA-N 0 0 452.385 4.500 20 5 JJBDRN O=C(Nc1ccc(OC(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001463742666 1068509953 /nfs/dbraw/zinc/50/99/53/1068509953.db2.gz QFBMJAKMSLFJPP-QZTJIDSGSA-N 0 0 452.385 4.500 20 5 JJBDRN Cc1ccc(CCCNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC001463749582 1068511829 /nfs/dbraw/zinc/51/18/29/1068511829.db2.gz VOIJBJSMYMXVHA-UHFFFAOYSA-N 0 0 459.546 4.871 20 5 JJBDRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001463826486 1068538132 /nfs/dbraw/zinc/53/81/32/1068538132.db2.gz SRGMHTBUXIRESL-HXUWFJFHSA-N 0 0 456.955 4.939 20 5 JJBDRN CCc1cc(Br)cc2c1N(S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)CCC2 ZINC001463934377 1068569778 /nfs/dbraw/zinc/56/97/78/1068569778.db2.gz WJCIZUMAMMKNQI-UHFFFAOYSA-N 0 0 453.358 4.678 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1[N+](=O)[O-] ZINC001463955066 1068574306 /nfs/dbraw/zinc/57/43/06/1068574306.db2.gz IYNDNWOXRYZIGL-LBPRGKRZSA-N 0 0 454.335 4.527 20 5 JJBDRN CCN(Cc1cccc(Br)c1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001464065414 1068603653 /nfs/dbraw/zinc/60/36/53/1068603653.db2.gz JBFQPYNIVZNNQS-UHFFFAOYSA-N 0 0 456.134 4.711 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001464089935 1068611530 /nfs/dbraw/zinc/61/15/30/1068611530.db2.gz MDOIJXZBZNYWDP-QGZVFWFLSA-N 0 0 459.351 4.751 20 5 JJBDRN COc1cc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1OC(C)C ZINC001464094851 1068612701 /nfs/dbraw/zinc/61/27/01/1068612701.db2.gz OPUKMZWQEZHGGZ-LLVKDONJSA-N 0 0 455.280 4.783 20 5 JJBDRN COc1cc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)ccc1OC(C)C ZINC001464094853 1068612726 /nfs/dbraw/zinc/61/27/26/1068612726.db2.gz OPUKMZWQEZHGGZ-NSHDSACASA-N 0 0 455.280 4.783 20 5 JJBDRN CON([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001464117512 1068620486 /nfs/dbraw/zinc/62/04/86/1068620486.db2.gz XDBJHCFOLZTONU-VIFPVBQESA-N 0 0 456.801 4.719 20 5 JJBDRN CN([C@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001464195129 1068651602 /nfs/dbraw/zinc/65/16/02/1068651602.db2.gz PPAVHWWNOIKQNT-CQSZACIVSA-N 0 0 453.294 4.789 20 5 JJBDRN Cc1csc([C@H](C)C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC001464251974 1068675896 /nfs/dbraw/zinc/67/58/96/1068675896.db2.gz VOSUXURXEYGZSY-INIZCTEOSA-N 0 0 456.593 4.536 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC001464260859 1068679910 /nfs/dbraw/zinc/67/99/10/1068679910.db2.gz VMYUQMYNPBXSRF-QGZVFWFLSA-N 0 0 459.749 4.845 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(F)c2ccncc12)c1cccc([N+](=O)[O-])c1 ZINC001464287954 1068692205 /nfs/dbraw/zinc/69/22/05/1068692205.db2.gz IFNFSVBWLVVANX-QGZVFWFLSA-N 0 0 451.454 4.524 20 5 JJBDRN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001464289063 1068692747 /nfs/dbraw/zinc/69/27/47/1068692747.db2.gz MUIFULKXPNPNBL-SIKLNZKXSA-N 0 0 454.548 4.548 20 5 JJBDRN Cc1nc(C(C)(C)C)sc1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464292464 1068694321 /nfs/dbraw/zinc/69/43/21/1068694321.db2.gz VGLWEPAXDWYOBK-KRWDZBQOSA-N 0 0 459.568 4.899 20 5 JJBDRN CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)c1 ZINC001464329296 1068707797 /nfs/dbraw/zinc/70/77/97/1068707797.db2.gz UVAYTBQCGZMEME-UHFFFAOYSA-N 0 0 458.316 4.560 20 5 JJBDRN CCON([C@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC001464330928 1068708610 /nfs/dbraw/zinc/70/86/10/1068708610.db2.gz IGTKQCZAYFCMMP-CYBMUJFWSA-N 0 0 457.346 4.623 20 5 JJBDRN Cc1sc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC001464385437 1068727287 /nfs/dbraw/zinc/72/72/87/1068727287.db2.gz TXOROWCHJQQOLR-UHFFFAOYSA-N 0 0 451.277 4.763 20 5 JJBDRN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001546147181 1068758881 /nfs/dbraw/zinc/75/88/81/1068758881.db2.gz KQAHJPPPOYIZKY-KRWDZBQOSA-N 0 0 450.461 4.635 20 5 JJBDRN COc1c(N)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(Cl)c1Br ZINC001464470769 1068758932 /nfs/dbraw/zinc/75/89/32/1068758932.db2.gz UTLVFDZNJAJVBU-UHFFFAOYSA-N 0 0 456.724 4.652 20 5 JJBDRN C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001464491867 1068765328 /nfs/dbraw/zinc/76/53/28/1068765328.db2.gz GTWRRALDKRAKIK-MRVPVSSYSA-N 0 0 454.129 4.704 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@H]2CC2(O)CCCCC2)c(Cl)cc1Cl ZINC001464492954 1068765700 /nfs/dbraw/zinc/76/57/00/1068765700.db2.gz BUIMBDCQADKWFG-ZDUSSCGKSA-N 0 0 451.372 4.530 20 5 JJBDRN CC(C)N(Cc1cc(Br)ccc1F)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464538552 1068776162 /nfs/dbraw/zinc/77/61/62/1068776162.db2.gz OUHVKSVJOJBEPZ-UHFFFAOYSA-N 0 0 451.292 4.897 20 5 JJBDRN O=C(NC1CCN(CC(F)F)CC1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001464567268 1068784154 /nfs/dbraw/zinc/78/41/54/1068784154.db2.gz WSOTVVKFUPKDCS-UHFFFAOYSA-N 0 0 455.914 4.859 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1nc2ccccc2s1)C1CC1 ZINC001464573390 1068787325 /nfs/dbraw/zinc/78/73/25/1068787325.db2.gz NNKQBQYTUUIVIT-UHFFFAOYSA-N 0 0 457.455 4.577 20 5 JJBDRN Cc1cccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCc1ccccc1 ZINC001464576941 1068788885 /nfs/dbraw/zinc/78/88/85/1068788885.db2.gz HVPMLNILTWSWHW-UHFFFAOYSA-N 0 0 451.910 4.710 20 5 JJBDRN 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JJBDRN Cc1c([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(F)cc1 ZINC001434937591 1064362185 /nfs/dbraw/zinc/36/21/85/1064362185.db2.gz GNXQVGLOZSMMHC-CYBMUJFWSA-N 0 0 451.483 4.843 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC001434984541 1064400261 /nfs/dbraw/zinc/40/02/61/1064400261.db2.gz BBTXDHMMOZCWLQ-UHFFFAOYSA-N 0 0 457.483 4.590 20 5 JJBDRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c2ccccc2C1 ZINC001435008712 1064424524 /nfs/dbraw/zinc/42/45/24/1064424524.db2.gz LNTJJRCMIZIGGW-UHFFFAOYSA-N 0 0 459.930 4.965 20 5 JJBDRN CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCc1cc(C(F)(F)F)ccn1 ZINC001359781881 1064433236 /nfs/dbraw/zinc/43/32/36/1064433236.db2.gz YBYADJIUKZXQJI-UHFFFAOYSA-N 0 0 462.476 4.678 20 5 JJBDRN COc1cc(C(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC001435020431 1064437772 /nfs/dbraw/zinc/43/77/72/1064437772.db2.gz DYCREUZLLJQBFO-HXUWFJFHSA-N 0 0 450.491 4.643 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC001435025968 1064443751 /nfs/dbraw/zinc/44/37/51/1064443751.db2.gz ZXWKQQGIJZWOJH-UHFFFAOYSA-N 0 0 450.516 4.994 20 5 JJBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001435030263 1064447363 /nfs/dbraw/zinc/44/73/63/1064447363.db2.gz XACJQJIMSBDQQR-UHFFFAOYSA-N 0 0 451.342 4.939 20 5 JJBDRN O=C([C@H]1CCc2c1cccc2Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435030522 1064448183 /nfs/dbraw/zinc/44/81/83/1064448183.db2.gz KKBGMKRFUJJQTF-INIZCTEOSA-N 0 0 453.848 4.646 20 5 JJBDRN C[C@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC001359797520 1064459917 /nfs/dbraw/zinc/45/99/17/1064459917.db2.gz GZVCFMCPUTYCTF-KFWWJZLASA-N 0 0 451.445 4.969 20 5 JJBDRN C[C@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC001359797523 1064459948 /nfs/dbraw/zinc/45/99/48/1064459948.db2.gz GZVCFMCPUTYCTF-ZNMIVQPWSA-N 0 0 451.445 4.969 20 5 JJBDRN 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O=C(COC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)Nc1cccc([N+](=O)[O-])c1 ZINC001359898034 1064601442 /nfs/dbraw/zinc/60/14/42/1064601442.db2.gz NKDYAPUAEVAIDT-UHFFFAOYSA-N 0 0 450.325 4.549 20 5 JJBDRN O=C(COC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC001359898197 1064601469 /nfs/dbraw/zinc/60/14/69/1064601469.db2.gz UBPYPASRJFNTBZ-OAQYLSRUSA-N 0 0 458.829 4.689 20 5 JJBDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001435227996 1064607611 /nfs/dbraw/zinc/60/76/11/1064607611.db2.gz KYGPXMLGGFGJRJ-UHFFFAOYSA-N 0 0 455.946 4.520 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC001435237644 1064617469 /nfs/dbraw/zinc/61/74/69/1064617469.db2.gz QEQQSXLBGNKYIT-SNVBAGLBSA-N 0 0 452.323 4.672 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC001435254667 1064631676 /nfs/dbraw/zinc/63/16/76/1064631676.db2.gz QWTRZHWSMWSHDC-LJQANCHMSA-N 0 0 457.552 4.779 20 5 JJBDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC001435285273 1064662723 /nfs/dbraw/zinc/66/27/23/1064662723.db2.gz ZUMCWISPANBIPZ-INIZCTEOSA-N 0 0 454.483 4.776 20 5 JJBDRN Cc1sc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC2 ZINC001435313844 1064686611 /nfs/dbraw/zinc/68/66/11/1064686611.db2.gz UUQXYLXLVCGJCX-UHFFFAOYSA-N 0 0 452.492 4.995 20 5 JJBDRN CCCOc1c(Br)cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC001435321054 1064694986 /nfs/dbraw/zinc/69/49/86/1064694986.db2.gz GYHGDCDNDRODQP-CYBMUJFWSA-N 0 0 451.317 4.954 20 5 JJBDRN CC(C)Oc1cc(Br)cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001435322758 1064695914 /nfs/dbraw/zinc/69/59/14/1064695914.db2.gz HXPHCIBIXABQIV-UHFFFAOYSA-N 0 0 459.300 4.797 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001435331503 1064702830 /nfs/dbraw/zinc/70/28/30/1064702830.db2.gz YJOWOMUAPYPBOE-JOCHJYFZSA-N 0 0 454.866 4.547 20 5 JJBDRN COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1F ZINC001435383048 1064731992 /nfs/dbraw/zinc/73/19/92/1064731992.db2.gz AQSVZOYOVIZALL-HNNXBMFYSA-N 0 0 454.454 4.821 20 5 JJBDRN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)[C@H]2c2cccs2)cc1 ZINC001435384339 1064732944 /nfs/dbraw/zinc/73/29/44/1064732944.db2.gz HGHDWSRILNOELW-VGSWGCGISA-N 0 0 450.520 4.791 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001435396198 1064738374 /nfs/dbraw/zinc/73/83/74/1064738374.db2.gz PJUJIZFNJNQQAD-UHFFFAOYSA-N 0 0 451.430 4.622 20 5 JJBDRN CC(C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001359964277 1064738341 /nfs/dbraw/zinc/73/83/41/1064738341.db2.gz QMKBBZMXCIUEBH-HXUWFJFHSA-N 0 0 463.529 4.788 20 5 JJBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001435414381 1064746113 /nfs/dbraw/zinc/74/61/13/1064746113.db2.gz BRZAONHSPSFTMP-UHFFFAOYSA-N 0 0 459.531 4.968 20 5 JJBDRN COc1ccc(Sc2nsc(NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC001435431295 1064752976 /nfs/dbraw/zinc/75/29/76/1064752976.db2.gz HSDKYGHQZNDZEQ-UHFFFAOYSA-N 0 0 450.929 4.831 20 5 JJBDRN Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC001435463057 1064772357 /nfs/dbraw/zinc/77/23/57/1064772357.db2.gz ZBSNQUVAGQYGEW-LJQANCHMSA-N 0 0 454.449 4.642 20 5 JJBDRN Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC001435463053 1064772419 /nfs/dbraw/zinc/77/24/19/1064772419.db2.gz ZBSNQUVAGQYGEW-IBGZPJMESA-N 0 0 454.449 4.642 20 5 JJBDRN CC(C)Oc1cc(C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC001435464261 1064772847 /nfs/dbraw/zinc/77/28/47/1064772847.db2.gz FBBKJZCAJIFMFX-INIZCTEOSA-N 0 0 457.527 4.898 20 5 JJBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001435476840 1064780248 /nfs/dbraw/zinc/78/02/48/1064780248.db2.gz ZVUWCBCWHVBDQM-JOCHJYFZSA-N 0 0 459.502 4.773 20 5 JJBDRN CO[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001435486224 1064785303 /nfs/dbraw/zinc/78/53/03/1064785303.db2.gz YBTCILXINYNYKN-QRQCRPRQSA-N 0 0 454.914 4.934 20 5 JJBDRN NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1Cl ZINC001435489416 1064786881 /nfs/dbraw/zinc/78/68/81/1064786881.db2.gz BRCSEGAEZFMWEM-LJQANCHMSA-N 0 0 455.923 4.746 20 5 JJBDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001360002763 1064789052 /nfs/dbraw/zinc/78/90/52/1064789052.db2.gz ONBIEYFOMMETCB-NSHDSACASA-N 0 0 459.911 4.942 20 5 JJBDRN C[C@](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC001435497700 1064790589 /nfs/dbraw/zinc/79/05/89/1064790589.db2.gz MKVQCVCMKWRDLS-JOCHJYFZSA-N 0 0 455.923 4.530 20 5 JJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001435530166 1064811327 /nfs/dbraw/zinc/81/13/27/1064811327.db2.gz OJBCMGHCZSHWGV-HNNXBMFYSA-N 0 0 453.495 4.783 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001435540684 1064818203 /nfs/dbraw/zinc/81/82/03/1064818203.db2.gz UMPZSOXEUZLEMB-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001435540685 1064818275 /nfs/dbraw/zinc/81/82/75/1064818275.db2.gz UMPZSOXEUZLEMB-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001360037771 1064847925 /nfs/dbraw/zinc/84/79/25/1064847925.db2.gz UBQQAXJBMUWKMF-VWLOTQADSA-N 0 0 455.518 4.990 20 5 JJBDRN CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360040286 1064855206 /nfs/dbraw/zinc/85/52/06/1064855206.db2.gz XQPIOSQEVFUUMV-CTNGQTDRSA-N 0 0 484.601 4.594 20 5 JJBDRN CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360040389 1064855269 /nfs/dbraw/zinc/85/52/69/1064855269.db2.gz XQPIOSQEVFUUMV-TZIWHRDSSA-N 0 0 484.601 4.594 20 5 JJBDRN Cc1ccccc1[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001360043220 1064860273 /nfs/dbraw/zinc/86/02/73/1064860273.db2.gz FAXGBNLQIFNUGX-QDOIMOTRSA-N 0 0 455.580 4.778 20 5 JJBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001435600617 1064865068 /nfs/dbraw/zinc/86/50/68/1064865068.db2.gz JHJNJZSHFLJUPD-UHFFFAOYSA-N 0 0 457.206 4.998 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC001435611451 1064875336 /nfs/dbraw/zinc/87/53/36/1064875336.db2.gz TVAVSCXZTOQKAF-UHFFFAOYSA-N 0 0 457.452 4.662 20 5 JJBDRN COC(=O)c1ccc([C@H](OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001435611139 1064875399 /nfs/dbraw/zinc/87/53/99/1064875399.db2.gz VMPAAQIVWLAKSP-AWEZNQCLSA-N 0 0 451.275 4.861 20 5 JJBDRN Cc1c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cnn1-c1ccccc1 ZINC001435612981 1064876057 /nfs/dbraw/zinc/87/60/57/1064876057.db2.gz NDCUNSCXSMKVNT-UHFFFAOYSA-N 0 0 457.277 4.834 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC001435625989 1064886131 /nfs/dbraw/zinc/88/61/31/1064886131.db2.gz QVQQQGBYDHDYAM-ZDUSSCGKSA-N 0 0 453.520 4.686 20 5 JJBDRN O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001435645528 1064904474 /nfs/dbraw/zinc/90/44/74/1064904474.db2.gz BRGZTQLOCPYPJP-AWEZNQCLSA-N 0 0 455.392 4.671 20 5 JJBDRN Cc1nc2c(s1)[C@@H](NC(=O)c1ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n1)CCC2 ZINC001435647689 1064905694 /nfs/dbraw/zinc/90/56/94/1064905694.db2.gz KIRWJOKIGATNKY-AWEZNQCLSA-N 0 0 452.323 4.660 20 5 JJBDRN CC(C)COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001360066859 1064911035 /nfs/dbraw/zinc/91/10/35/1064911035.db2.gz PTIMCXFAZLYCBI-QGZVFWFLSA-N 0 0 455.481 4.695 20 5 JJBDRN CN(CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC001360068666 1064914210 /nfs/dbraw/zinc/91/42/10/1064914210.db2.gz JBSNDGQSRWQNKS-QFIPXVFZSA-N 0 0 458.518 4.647 20 5 JJBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC001435672373 1064925820 /nfs/dbraw/zinc/92/58/20/1064925820.db2.gz GBKAENFKQTYDCE-CYBMUJFWSA-N 0 0 456.549 4.820 20 5 JJBDRN COC(=O)Cc1occ(C)c1C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435674718 1064927178 /nfs/dbraw/zinc/92/71/78/1064927178.db2.gz RXKWCTOKRLESOP-UHFFFAOYSA-N 0 0 457.508 4.638 20 5 JJBDRN COc1ccc(SCCC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1OC ZINC001435691417 1064937871 /nfs/dbraw/zinc/93/78/71/1064937871.db2.gz MRWDYZNZEZBQQA-HSZRJFAPSA-N 0 0 454.504 4.822 20 5 JJBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435693281 1064940120 /nfs/dbraw/zinc/94/01/20/1064940120.db2.gz WQZTZJZKFRHIPK-FKIZINRSSA-N 0 0 458.312 4.599 20 5 JJBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001435700119 1064946315 /nfs/dbraw/zinc/94/63/15/1064946315.db2.gz QNESXJWQOPHMJX-JOCHJYFZSA-N 0 0 450.878 4.675 20 5 JJBDRN 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COc1ccccc1-c1nnc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)s1 ZINC001436369549 1065304458 /nfs/dbraw/zinc/30/44/58/1065304458.db2.gz IVMVFJIAOWVUAV-UHFFFAOYSA-N 0 0 453.524 4.611 20 5 JJBDRN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001436377288 1065305172 /nfs/dbraw/zinc/30/51/72/1065305172.db2.gz PDVBOYQGBPVAEZ-UHFFFAOYSA-N 0 0 454.841 4.586 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001360441020 1065325493 /nfs/dbraw/zinc/32/54/93/1065325493.db2.gz BGHDUBFIPALZIR-UHFFFAOYSA-N 0 0 456.458 4.694 20 5 JJBDRN Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001360441980 1065326993 /nfs/dbraw/zinc/32/69/93/1065326993.db2.gz ZXQFNQLQLFZPDS-UHFFFAOYSA-N 0 0 450.474 4.865 20 5 JJBDRN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001436477347 1065329135 /nfs/dbraw/zinc/32/91/35/1065329135.db2.gz HSYHYQICGXIEOS-UHFFFAOYSA-N 0 0 456.442 4.972 20 5 JJBDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001436485783 1065332102 /nfs/dbraw/zinc/33/21/02/1065332102.db2.gz GIWWYLMDMMBRDL-SFHVURJKSA-N 0 0 457.486 4.652 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)cc1[N+](=O)[O-])c1ccccn1 ZINC001436514709 1065339472 /nfs/dbraw/zinc/33/94/72/1065339472.db2.gz DNVVXZVIDPVCDV-NSHDSACASA-N 0 0 451.430 4.977 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1C ZINC001436516360 1065340004 /nfs/dbraw/zinc/34/00/04/1065340004.db2.gz MTBFOMOMSHQMFE-XXBNENTESA-N 0 0 450.466 4.532 20 5 JJBDRN O=C(N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1Cl ZINC001436521673 1065341454 /nfs/dbraw/zinc/34/14/54/1065341454.db2.gz UFOORWCFKRMOOW-KNQAVFIVSA-N 0 0 456.857 4.568 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC001436543589 1065353392 /nfs/dbraw/zinc/35/33/92/1065353392.db2.gz XOPXTZMWKQZYFR-UHFFFAOYSA-N 0 0 452.338 4.947 20 5 JJBDRN COc1cc(C(=O)Nc2cnc(Cl)cc2Cl)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001436551579 1065356782 /nfs/dbraw/zinc/35/67/82/1065356782.db2.gz RRILESOBKVLMHP-UHFFFAOYSA-N 0 0 455.279 4.593 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)n1 ZINC001436555978 1065359763 /nfs/dbraw/zinc/35/97/63/1065359763.db2.gz KCTGWRQFKCWVKO-GOSISDBHSA-N 0 0 456.499 4.677 20 5 JJBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001436598696 1065391506 /nfs/dbraw/zinc/39/15/06/1065391506.db2.gz NXFVERDIHYCAEQ-SFHVURJKSA-N 0 0 457.328 4.834 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001360473352 1065392962 /nfs/dbraw/zinc/39/29/62/1065392962.db2.gz QVWLBFDDGCPJJW-QGZVFWFLSA-N 0 0 451.829 4.685 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCc2c(Cl)cc(Cl)cc21 ZINC001436615846 1065398981 /nfs/dbraw/zinc/39/89/81/1065398981.db2.gz JOKBPRUCGDFSNF-UHFFFAOYSA-N 0 0 450.278 4.569 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC001436627525 1065404810 /nfs/dbraw/zinc/40/48/10/1065404810.db2.gz PMJNIGFMBRBJPM-UHFFFAOYSA-N 0 0 451.951 4.810 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(-c2nccs2)cc1 ZINC001436633416 1065408849 /nfs/dbraw/zinc/40/88/49/1065408849.db2.gz COCBKJGTLXILDQ-UHFFFAOYSA-N 0 0 457.533 4.650 20 5 JJBDRN C[C@H](Cc1cccs1)Cn1c(-c2cccn2C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001360500539 1065422215 /nfs/dbraw/zinc/42/22/15/1065422215.db2.gz NLCHCFVUXFCTJV-GOSISDBHSA-N 0 0 464.595 4.811 20 5 JJBDRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001360501153 1065424986 /nfs/dbraw/zinc/42/49/86/1065424986.db2.gz GSTYLAALRFECLE-BJKOFHAPSA-N 0 0 457.530 4.676 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001436738745 1065433849 /nfs/dbraw/zinc/43/38/49/1065433849.db2.gz KARJEPFIZMNDDC-NQSCKRDGSA-N 0 0 455.942 4.614 20 5 JJBDRN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001545901333 1065437620 /nfs/dbraw/zinc/43/76/20/1065437620.db2.gz KDFPBDLTWQOBKZ-UHFFFAOYSA-N 0 0 456.329 4.971 20 5 JJBDRN COc1cc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)sc1Br ZINC001436779787 1065440156 /nfs/dbraw/zinc/44/01/56/1065440156.db2.gz VDBQPYFJUJYGFY-LLVKDONJSA-N 0 0 457.199 4.600 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506357 1065443789 /nfs/dbraw/zinc/44/37/89/1065443789.db2.gz FBZPLAWDVZUWHU-RTBURBONSA-N 0 0 457.502 4.694 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001360506277 1065443988 /nfs/dbraw/zinc/44/39/88/1065443988.db2.gz BFGXYXNCYPFJTD-DEOSSOPVSA-N 0 0 450.491 4.757 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c2ccc(OC)cc2OC)cc1 ZINC001360507627 1065446399 /nfs/dbraw/zinc/44/63/99/1065446399.db2.gz TUDXNIBSTRJHIF-HSZRJFAPSA-N 0 0 454.454 4.588 20 5 JJBDRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001436911251 1065469643 /nfs/dbraw/zinc/46/96/43/1065469643.db2.gz MQWNQGZAXVVERY-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCC1 ZINC001360514794 1065469996 /nfs/dbraw/zinc/46/99/96/1065469996.db2.gz ZPHRYVQGHLVWNX-SFHVURJKSA-N 0 0 472.590 4.737 20 5 JJBDRN Cc1ccc(C)n1-c1nc(CC(=O)OCc2ccc([N+](=O)[O-])cc2Br)cs1 ZINC001360518182 1065481899 /nfs/dbraw/zinc/48/18/99/1065481899.db2.gz FGECMICAVIYOBN-UHFFFAOYSA-N 0 0 450.314 4.507 20 5 JJBDRN CC(=O)N(Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC001360518166 1065481991 /nfs/dbraw/zinc/48/19/91/1065481991.db2.gz DSIUTFRURHMFHZ-UHFFFAOYSA-N 0 0 458.518 4.970 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC001360518560 1065482792 /nfs/dbraw/zinc/48/27/92/1065482792.db2.gz OOZNJAHYLZEUBV-UHFFFAOYSA-N 0 0 455.264 4.711 20 5 JJBDRN O=C(OCc1cc(Cl)ccc1I)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001437021431 1065497013 /nfs/dbraw/zinc/49/70/13/1065497013.db2.gz JHEKVMLFYRVFDT-LSDHHAIUSA-N 0 0 457.651 4.700 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001437075612 1065506904 /nfs/dbraw/zinc/50/69/04/1065506904.db2.gz WGTMIEVGXFYODQ-GJZGRUSLSA-N 0 0 457.328 4.619 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437141159 1065512556 /nfs/dbraw/zinc/51/25/56/1065512556.db2.gz HZNZWMKKSUXMOF-VBNZEHGJSA-N 0 0 469.376 4.788 20 5 JJBDRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001437177839 1065516711 /nfs/dbraw/zinc/51/67/11/1065516711.db2.gz CBZYAIQTPUKLFS-QZTJIDSGSA-N 0 0 452.555 4.810 20 5 JJBDRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001360537263 1065521323 /nfs/dbraw/zinc/52/13/23/1065521323.db2.gz ADRFJRZQKXHUDA-SGTLLEGYSA-N 0 0 455.342 4.658 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001437227811 1065523042 /nfs/dbraw/zinc/52/30/42/1065523042.db2.gz UXTSDWPSWYAXKJ-UNMCSNQZSA-N 0 0 454.548 4.625 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1 ZINC001360544537 1065534429 /nfs/dbraw/zinc/53/44/29/1065534429.db2.gz KVHYJHSQZHEYBJ-KRWDZBQOSA-N 0 0 463.567 4.924 20 5 JJBDRN CCc1ccc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001360547952 1065539122 /nfs/dbraw/zinc/53/91/22/1065539122.db2.gz YMYWJNDPMGZCAP-UHFFFAOYSA-N 0 0 454.530 4.911 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001360552659 1065543971 /nfs/dbraw/zinc/54/39/71/1065543971.db2.gz YKUHHZOUHLKLHF-GOSISDBHSA-N 0 0 459.955 4.818 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC001437378853 1065544714 /nfs/dbraw/zinc/54/47/14/1065544714.db2.gz HHNGJXFDMXLNAK-FQEVSTJZSA-N 0 0 452.486 4.628 20 5 JJBDRN Cc1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)nn1-c1ccccc1Br ZINC001437526296 1065567252 /nfs/dbraw/zinc/56/72/52/1065567252.db2.gz LPVVKHVFDMHWPZ-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN COc1cc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cc(OC)c1OCc1ccccc1 ZINC001437527476 1065567523 /nfs/dbraw/zinc/56/75/23/1065567523.db2.gz USEFAFYSZNPTJH-UHFFFAOYSA-N 0 0 459.458 4.992 20 5 JJBDRN CC[C@H](CCc1ccccc1)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001437731579 1065596560 /nfs/dbraw/zinc/59/65/60/1065596560.db2.gz VOIMDKZCQOWDNH-CJFMBICVSA-N 0 0 455.555 4.862 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001437868409 1065622747 /nfs/dbraw/zinc/62/27/47/1065622747.db2.gz LGKYGUONVCUSMX-IAGOWNOFSA-N 0 0 455.552 4.564 20 5 JJBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001437960740 1065636349 /nfs/dbraw/zinc/63/63/49/1065636349.db2.gz FOGLJNVXRAXEFV-INIZCTEOSA-N 0 0 450.358 4.553 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)cc1SC ZINC001360620656 1065667413 /nfs/dbraw/zinc/66/74/13/1065667413.db2.gz GDTNRGKRIYKBSD-UHFFFAOYSA-N 0 0 458.565 4.666 20 5 JJBDRN COc1ccc(OC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1I ZINC001438123258 1065674971 /nfs/dbraw/zinc/67/49/71/1065674971.db2.gz OEOJWMOPUDOVAQ-UHFFFAOYSA-N 0 0 455.248 4.725 20 5 JJBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001438149707 1065680751 /nfs/dbraw/zinc/68/07/51/1065680751.db2.gz YPDRFMXKJBJTQP-RFAUZJTJSA-N 0 0 453.339 4.921 20 5 JJBDRN COc1ccc([C@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)CCO2)cc1 ZINC001438154779 1065682419 /nfs/dbraw/zinc/68/24/19/1065682419.db2.gz LANDRHNTORNDKG-HSZRJFAPSA-N 0 0 450.516 4.968 20 5 JJBDRN C[C@@H]1[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001438176521 1065686768 /nfs/dbraw/zinc/68/67/68/1065686768.db2.gz BYHYITXHGILCAX-WBVHZDCISA-N 0 0 457.552 4.874 20 5 JJBDRN O=C(NCc1ccc(Br)c(F)c1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001438213748 1065698631 /nfs/dbraw/zinc/69/86/31/1065698631.db2.gz ZZHJTFXMXYLSAB-UHFFFAOYSA-N 0 0 454.271 4.556 20 5 JJBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccc(Cl)cc21 ZINC001438265475 1065704774 /nfs/dbraw/zinc/70/47/74/1065704774.db2.gz VRSPEWUBIXVXLE-UHFFFAOYSA-N 0 0 456.667 4.791 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC001438362804 1065716492 /nfs/dbraw/zinc/71/64/92/1065716492.db2.gz ZJNGUIYCPYIDTQ-SCLBCKFNSA-N 0 0 456.392 4.808 20 5 JJBDRN COc1cc(C(=O)N[C@@H](CCc2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC001438502296 1065727352 /nfs/dbraw/zinc/72/73/52/1065727352.db2.gz PNYBOZYYNSPTCZ-SFHVURJKSA-N 0 0 457.433 4.704 20 5 JJBDRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001360665009 1065730132 /nfs/dbraw/zinc/73/01/32/1065730132.db2.gz SVKINPQHCBVJBB-FQEVSTJZSA-N 0 0 459.996 4.786 20 5 JJBDRN CN(CC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC001438620194 1065736932 /nfs/dbraw/zinc/73/69/32/1065736932.db2.gz VGFGFVAQQMEVFW-NRFANRHFSA-N 0 0 453.436 4.813 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC001360703141 1065740804 /nfs/dbraw/zinc/74/08/04/1065740804.db2.gz DDQBUDCSRCXVMO-LBPRGKRZSA-N 0 0 453.720 4.626 20 5 JJBDRN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1cccc(Br)c1 ZINC001438682072 1065743106 /nfs/dbraw/zinc/74/31/06/1065743106.db2.gz IILMGRLBVXBBSX-KRWDZBQOSA-N 0 0 453.358 4.975 20 5 JJBDRN COC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)ccc1N(C)C ZINC001438684826 1065743358 /nfs/dbraw/zinc/74/33/58/1065743358.db2.gz DHWCMMDOLPCMGM-UHFFFAOYSA-N 0 0 452.488 4.818 20 5 JJBDRN CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001438811376 1065753762 /nfs/dbraw/zinc/75/37/62/1065753762.db2.gz DNKSPTYZXLJDLZ-OAQYLSRUSA-N 0 0 454.527 4.788 20 5 JJBDRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001438907763 1065764518 /nfs/dbraw/zinc/76/45/18/1065764518.db2.gz MPKHRMJUROQIAO-UHFFFAOYSA-N 0 0 450.676 4.525 20 5 JJBDRN CN1CCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001438933639 1065768610 /nfs/dbraw/zinc/76/86/10/1065768610.db2.gz MBVVJSHOUIYETL-UHFFFAOYSA-N 0 0 453.486 4.931 20 5 JJBDRN C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001439018968 1065778041 /nfs/dbraw/zinc/77/80/41/1065778041.db2.gz BPXCPQKCOLGHFX-HNNXBMFYSA-N 0 0 453.495 4.956 20 5 JJBDRN CC(C)[C@@H]1CCC[C@](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)(C(F)(F)F)CC1 ZINC001439133037 1065791037 /nfs/dbraw/zinc/79/10/37/1065791037.db2.gz STAJHTDGRYNZFA-IIBYNOLFSA-N 0 0 457.493 4.699 20 5 JJBDRN O=C(NCc1cc(Br)c2ccccc2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001439198654 1065797608 /nfs/dbraw/zinc/79/76/08/1065797608.db2.gz XUPBBEXYFADQOK-UHFFFAOYSA-N 0 0 451.280 4.626 20 5 JJBDRN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001439216737 1065800002 /nfs/dbraw/zinc/80/00/02/1065800002.db2.gz QHEQUOPQTFBHIU-IBGZPJMESA-N 0 0 456.564 4.842 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439275710 1065809701 /nfs/dbraw/zinc/80/97/01/1065809701.db2.gz XEPSBFTWRYPFCN-HZPDHXFCSA-N 0 0 473.904 4.519 20 5 JJBDRN CC(C)(C)OCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC001439776775 1065874293 /nfs/dbraw/zinc/87/42/93/1065874293.db2.gz YGXKGGXKBAADGY-UHFFFAOYSA-N 0 0 454.264 4.767 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2c(F)ccc(Br)c2F)cc1[N+](=O)[O-] ZINC001439797532 1065880033 /nfs/dbraw/zinc/88/00/33/1065880033.db2.gz VNOQZCMWILNLAS-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN CCOc1ccccc1[C@@H](CC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)NC(C)=O ZINC001439803087 1065880432 /nfs/dbraw/zinc/88/04/32/1065880432.db2.gz RCLNOBMITHYCNR-GOSISDBHSA-N 0 0 453.417 4.527 20 5 JJBDRN COc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)c([N+](=O)[O-])cc1F ZINC001360779155 1065886389 /nfs/dbraw/zinc/88/63/89/1065886389.db2.gz ITICOVHOCOUDJD-UHFFFAOYSA-N 0 0 451.292 4.747 20 5 JJBDRN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440020341 1065903566 /nfs/dbraw/zinc/90/35/66/1065903566.db2.gz MEJLYVRTOQIBGD-HZPDHXFCSA-N 0 0 452.454 4.920 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360800719 1065911689 /nfs/dbraw/zinc/91/16/89/1065911689.db2.gz KETWLHCYBQKGIW-APWZRJJASA-N 0 0 454.527 4.565 20 5 JJBDRN CSc1cccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1[N+](=O)[O-] ZINC001440178110 1065921447 /nfs/dbraw/zinc/92/14/47/1065921447.db2.gz XKDBSNZOIIPPHE-UHFFFAOYSA-N 0 0 450.538 4.659 20 5 JJBDRN Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1Cl ZINC001440412381 1065938853 /nfs/dbraw/zinc/93/88/53/1065938853.db2.gz LUOWTGMYESLYKR-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN COc1cc(CN(C)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)ccc1OC(F)F ZINC001440510154 1065945527 /nfs/dbraw/zinc/94/55/27/1065945527.db2.gz KEZHYYJVBNGQMP-UHFFFAOYSA-N 0 0 453.200 4.923 20 5 JJBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](Cc1cccnc1)C1CCCC1 ZINC001440639740 1065957094 /nfs/dbraw/zinc/95/70/94/1065957094.db2.gz OXUCEMJTJCUZHR-GOSISDBHSA-N 0 0 450.461 4.586 20 5 JJBDRN Cc1cc(OCC(=O)NCC(C)(C)Sc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC001360852326 1065967937 /nfs/dbraw/zinc/96/79/37/1065967937.db2.gz VRGPFWPDDLGRRG-UHFFFAOYSA-N 0 0 453.358 4.732 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001440731090 1065971331 /nfs/dbraw/zinc/97/13/31/1065971331.db2.gz AUOLNHPXJAHMJS-KUHUBIRLSA-N 0 0 452.338 4.622 20 5 JJBDRN Nc1c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(Br)cc1[N+](=O)[O-] ZINC001440733388 1065972171 /nfs/dbraw/zinc/97/21/71/1065972171.db2.gz BCGDDRMOWNUVDW-UHFFFAOYSA-N 0 0 452.268 4.735 20 5 JJBDRN CCc1noc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc2)n1 ZINC001360856263 1065974992 /nfs/dbraw/zinc/97/49/92/1065974992.db2.gz PAXVXUWCSCIRCO-UHFFFAOYSA-N 0 0 458.474 4.972 20 5 JJBDRN Nc1c(Br)cc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] ZINC001440943686 1065996219 /nfs/dbraw/zinc/99/62/19/1065996219.db2.gz JWFUAXXXLBKRHY-UHFFFAOYSA-N 0 0 450.236 4.846 20 5 JJBDRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC001441070360 1066005662 /nfs/dbraw/zinc/00/56/62/1066005662.db2.gz YUSHMKDJUBVUFU-UHFFFAOYSA-N 0 0 458.540 4.753 20 5 JJBDRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC001441329415 1066029511 /nfs/dbraw/zinc/02/95/11/1066029511.db2.gz WRQAOQQIGRIHBM-SFHVURJKSA-N 0 0 452.736 4.578 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC001441346093 1066031553 /nfs/dbraw/zinc/03/15/53/1066031553.db2.gz GZZONYHBGDOQDG-UHFFFAOYSA-N 0 0 459.911 4.620 20 5 JJBDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC001360880508 1066033504 /nfs/dbraw/zinc/03/35/04/1066033504.db2.gz DJXCEVUUIIPXMA-RTBURBONSA-N 0 0 451.552 4.591 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001360893393 1066045992 /nfs/dbraw/zinc/04/59/92/1066045992.db2.gz JEZIBDSJPSSDKS-UHFFFAOYSA-N 0 0 458.931 4.856 20 5 JJBDRN Cc1nc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2ccsc2)sc1C ZINC001360896266 1066050265 /nfs/dbraw/zinc/05/02/65/1066050265.db2.gz ZGUWGPGBCXBYAV-UHFFFAOYSA-N 0 0 454.581 4.867 20 5 JJBDRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001441617714 1066054600 /nfs/dbraw/zinc/05/46/00/1066054600.db2.gz YSRUXUJNWZKJRP-JTSKRJEESA-N 0 0 456.514 4.813 20 5 JJBDRN O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(Cc2ccccc2Br)CC1 ZINC001360902187 1066055919 /nfs/dbraw/zinc/05/59/19/1066055919.db2.gz KCHWCAONTZVLLR-UHFFFAOYSA-N 0 0 459.340 4.750 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC001441703108 1066062842 /nfs/dbraw/zinc/06/28/42/1066062842.db2.gz NMLOSFHYIBJALM-UHFFFAOYSA-N 0 0 453.445 4.771 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001441741984 1066066493 /nfs/dbraw/zinc/06/64/93/1066066493.db2.gz XGGOAGCRBQJBQF-VDGAXYAQSA-N 0 0 458.461 4.605 20 5 JJBDRN C[C@@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001441752311 1066068317 /nfs/dbraw/zinc/06/83/17/1066068317.db2.gz LSVIVVUUFUDXSS-QRWLVFNGSA-N 0 0 453.495 4.654 20 5 JJBDRN CNc1c(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cccc1[N+](=O)[O-] ZINC001441763740 1066068607 /nfs/dbraw/zinc/06/86/07/1066068607.db2.gz LARQIFYWDUSUID-UHFFFAOYSA-N 0 0 452.414 4.835 20 5 JJBDRN Cc1n[nH]cc1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1cccs1 ZINC001360911865 1066068952 /nfs/dbraw/zinc/06/89/52/1066068952.db2.gz ZAMLZZUDATUBNT-MRXNPFEDSA-N 0 0 451.556 4.777 20 5 JJBDRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1Cl ZINC001441808121 1066070709 /nfs/dbraw/zinc/07/07/09/1066070709.db2.gz CGGVLYZXQZGNOQ-UHFFFAOYSA-N 0 0 452.898 4.745 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001442016458 1066086036 /nfs/dbraw/zinc/08/60/36/1066086036.db2.gz GYXOUYAPEBASPD-LLVKDONJSA-N 0 0 453.362 4.606 20 5 JJBDRN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360931781 1066088549 /nfs/dbraw/zinc/08/85/49/1066088549.db2.gz VSMHRPCATSFXIB-HSZRJFAPSA-N 0 0 459.424 4.814 20 5 JJBDRN Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(Br)n1 ZINC001360932023 1066088872 /nfs/dbraw/zinc/08/88/72/1066088872.db2.gz CLGKBGQXCDFRAQ-UHFFFAOYSA-N 0 0 483.326 4.597 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c1 ZINC001442184389 1066099910 /nfs/dbraw/zinc/09/99/10/1066099910.db2.gz JCXNYLPDZXNUJA-UHFFFAOYSA-N 0 0 458.312 4.501 20 5 JJBDRN COc1cc(C)ccc1Oc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1F ZINC001442187863 1066099998 /nfs/dbraw/zinc/09/99/98/1066099998.db2.gz UJIPNJBFOUKKQN-UHFFFAOYSA-N 0 0 454.410 4.673 20 5 JJBDRN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001442405232 1066125807 /nfs/dbraw/zinc/12/58/07/1066125807.db2.gz JGCWEUKFUPXBSQ-UHFFFAOYSA-N 0 0 453.445 4.623 20 5 JJBDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c(C)o1 ZINC001360998364 1066177752 /nfs/dbraw/zinc/17/77/52/1066177752.db2.gz ZYHZXDDVRKOWNU-FTJBHMTQSA-N 0 0 497.596 4.612 20 5 JJBDRN Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(I)c([N+](=O)[O-])c2)o1 ZINC001361013038 1066198066 /nfs/dbraw/zinc/19/80/66/1066198066.db2.gz YLKCJCDDADIYMX-HNNXBMFYSA-N 0 0 454.264 4.858 20 5 JJBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001361032695 1066246724 /nfs/dbraw/zinc/24/67/24/1066246724.db2.gz FJCWWZSPGREQRB-XMMPIXPASA-N 0 0 452.894 4.858 20 5 JJBDRN Cc1nn(C)c(N2CCC2)c1NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001454278380 1066263566 /nfs/dbraw/zinc/26/35/66/1066263566.db2.gz BDTSWUUHIQCYRQ-UHFFFAOYSA-N 0 0 457.943 4.904 20 5 JJBDRN O=C(NCc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001454297062 1066266219 /nfs/dbraw/zinc/26/62/19/1066266219.db2.gz OTXMEIUSVFVPII-UHFFFAOYSA-N 0 0 454.870 4.734 20 5 JJBDRN CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3[nH]nc(CC)c3[N+](=O)[O-])cc2)CC1 ZINC001443146226 1066272935 /nfs/dbraw/zinc/27/29/35/1066272935.db2.gz GJJFQGPODDJLKN-UHFFFAOYSA-N 0 0 455.559 4.745 20 5 JJBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC001443211951 1066280731 /nfs/dbraw/zinc/28/07/31/1066280731.db2.gz GZFKKLQPITZGOR-UHFFFAOYSA-N 0 0 456.502 4.835 20 5 JJBDRN O=C(CC1CCCCC1)NC1CCC(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC001454440137 1066283067 /nfs/dbraw/zinc/28/30/67/1066283067.db2.gz NPFTWDFQDMKJNI-UHFFFAOYSA-N 0 0 453.942 4.649 20 5 JJBDRN COc1nnc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC001454457616 1066284177 /nfs/dbraw/zinc/28/41/77/1066284177.db2.gz WFWIAGVODGKQQC-UHFFFAOYSA-N 0 0 456.427 4.877 20 5 JJBDRN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001443291742 1066290667 /nfs/dbraw/zinc/29/06/67/1066290667.db2.gz BWSKQTOTJYRPHM-UWJYYQICSA-N 0 0 459.568 4.793 20 5 JJBDRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C3)cc1 ZINC001443305716 1066293117 /nfs/dbraw/zinc/29/31/17/1066293117.db2.gz VPUYKQNVGWTFKD-UHFFFAOYSA-N 0 0 459.506 4.544 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001443385116 1066303962 /nfs/dbraw/zinc/30/39/62/1066303962.db2.gz IRCAGKWPFCQZDD-UHFFFAOYSA-N 0 0 459.959 4.841 20 5 JJBDRN CSc1cccc([C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2cc(F)ccc2F)c1 ZINC001361068848 1066308358 /nfs/dbraw/zinc/30/83/58/1066308358.db2.gz OJJPSDNONNPKNR-OAQYLSRUSA-N 0 0 458.442 4.843 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001545960340 1066333520 /nfs/dbraw/zinc/33/35/20/1066333520.db2.gz BFBDALUUZILGTM-SJORKVTESA-N 0 0 477.974 4.571 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545960900 1066346065 /nfs/dbraw/zinc/34/60/65/1066346065.db2.gz LQUYTJKRTFZIER-YVWKXTFCSA-N 0 0 472.590 4.781 20 5 JJBDRN CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545961084 1066349280 /nfs/dbraw/zinc/34/92/80/1066349280.db2.gz OFYSZJPXGZRYDT-SFHVURJKSA-N 0 0 460.579 4.639 20 5 JJBDRN COc1cccc(-c2ccc(CNC(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)cc2)c1 ZINC001443990983 1066391482 /nfs/dbraw/zinc/39/14/82/1066391482.db2.gz HBKRCMCRFQVNLS-UHFFFAOYSA-N 0 0 455.308 4.892 20 5 JJBDRN Cc1ccc(N2CCC[C@@H](NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC001361133692 1066404892 /nfs/dbraw/zinc/40/48/92/1066404892.db2.gz YLFALVNDVIVFIN-QGZVFWFLSA-N 0 0 450.461 4.509 20 5 JJBDRN CCS[C@H]1CC[C@H](N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC001361142593 1066424181 /nfs/dbraw/zinc/42/41/81/1066424181.db2.gz BZRSFPWXJBXBJM-IRXDYDNUSA-N 0 0 459.534 4.963 20 5 JJBDRN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC ZINC001455707444 1066424822 /nfs/dbraw/zinc/42/48/22/1066424822.db2.gz BXKJUDBHHQDQJI-UHFFFAOYSA-N 0 0 455.854 4.770 20 5 JJBDRN C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001455700283 1066424967 /nfs/dbraw/zinc/42/49/67/1066424967.db2.gz KAKCVAYUQXAQME-LBPRGKRZSA-N 0 0 458.268 4.694 20 5 JJBDRN CCN(CC(OC)OC)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001455711047 1066425497 /nfs/dbraw/zinc/42/54/97/1066425497.db2.gz YQLLCLKMKMEFLO-UHFFFAOYSA-N 0 0 458.458 4.846 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001444245807 1066432789 /nfs/dbraw/zinc/43/27/89/1066432789.db2.gz YRFWHSFJDMRABN-INIZCTEOSA-N 0 0 453.605 4.966 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1(C)C ZINC001455806904 1066434485 /nfs/dbraw/zinc/43/44/85/1066434485.db2.gz ZQQCWECIZOWLOU-FQEVSTJZSA-N 0 0 455.511 4.762 20 5 JJBDRN CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001444274389 1066442182 /nfs/dbraw/zinc/44/21/82/1066442182.db2.gz VJRYNHAPSIUXML-QFIPXVFZSA-N 0 0 454.477 4.518 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001455903625 1066448710 /nfs/dbraw/zinc/44/87/10/1066448710.db2.gz OJXBQVZIMJDQJF-UHFFFAOYSA-N 0 0 451.704 4.968 20 5 JJBDRN CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001444325709 1066449325 /nfs/dbraw/zinc/44/93/25/1066449325.db2.gz KEJQTZXHXBDOJC-IRXDYDNUSA-N 0 0 454.365 4.530 20 5 JJBDRN CN(CC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)Cc1ccccc1 ZINC001444386324 1066456689 /nfs/dbraw/zinc/45/66/89/1066456689.db2.gz NIKUAMJGKNAUFB-UHFFFAOYSA-N 0 0 457.889 4.928 20 5 JJBDRN Cc1ccc(NC(=O)c2cccc(OC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)c2)cc1 ZINC001455941491 1066456941 /nfs/dbraw/zinc/45/69/41/1066456941.db2.gz DJHGGCLBXBAODU-UHFFFAOYSA-N 0 0 456.458 4.620 20 5 JJBDRN CCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001455958721 1066460714 /nfs/dbraw/zinc/46/07/14/1066460714.db2.gz HHYHDNFNOKJAHF-OAHLLOKOSA-N 0 0 452.292 4.649 20 5 JJBDRN O=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161203 1066467083 /nfs/dbraw/zinc/46/70/83/1066467083.db2.gz IJSHQAOOVQXEBT-UHFFFAOYSA-N 0 0 453.882 4.699 20 5 JJBDRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001455995675 1066469241 /nfs/dbraw/zinc/46/92/41/1066469241.db2.gz WXYWOYQDWFAEHJ-UHFFFAOYSA-N 0 0 455.348 4.667 20 5 JJBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001444508432 1066469352 /nfs/dbraw/zinc/46/93/52/1066469352.db2.gz NSJSFJIQZIQWLW-AWEZNQCLSA-N 0 0 455.898 4.606 20 5 JJBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001444508434 1066469622 /nfs/dbraw/zinc/46/96/22/1066469622.db2.gz NSJSFJIQZIQWLW-CQSZACIVSA-N 0 0 455.898 4.606 20 5 JJBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001444510653 1066470220 /nfs/dbraw/zinc/47/02/20/1066470220.db2.gz QQFAEJOJTAQNMT-ZDUSSCGKSA-N 0 0 454.857 4.953 20 5 JJBDRN Cc1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)c1C ZINC001444514086 1066471607 /nfs/dbraw/zinc/47/16/07/1066471607.db2.gz ZEPKAPIOIZZVNQ-GOSISDBHSA-N 0 0 450.276 4.794 20 5 JJBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001444561395 1066476259 /nfs/dbraw/zinc/47/62/59/1066476259.db2.gz DIPBSTHAPSAWEW-FQEVSTJZSA-N 0 0 457.939 4.958 20 5 JJBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC001444728352 1066498097 /nfs/dbraw/zinc/49/80/97/1066498097.db2.gz BKAZUGWFVOHWKI-KPZWWZAWSA-N 0 0 457.836 4.652 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001456068921 1066501215 /nfs/dbraw/zinc/50/12/15/1066501215.db2.gz VEEOOBNLHFVFEJ-UHFFFAOYSA-N 0 0 455.446 4.578 20 5 JJBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456078891 1066505103 /nfs/dbraw/zinc/50/51/03/1066505103.db2.gz WTLMXYYINFWKNN-JOCHJYFZSA-N 0 0 454.324 4.933 20 5 JJBDRN O=C(CCCCN1C(=O)c2ccccc2C1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001361185278 1066509085 /nfs/dbraw/zinc/50/90/85/1066509085.db2.gz DKFBEMOJRPNZCW-UHFFFAOYSA-N 0 0 457.486 4.595 20 5 JJBDRN CCc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)nnn1Cc1ccc(F)cc1 ZINC001361186024 1066509675 /nfs/dbraw/zinc/50/96/75/1066509675.db2.gz POSRTVZQJLNGRW-UHFFFAOYSA-N 0 0 459.481 4.783 20 5 JJBDRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001361186414 1066510154 /nfs/dbraw/zinc/51/01/54/1066510154.db2.gz VHSQSIQSIKSWRY-UHFFFAOYSA-N 0 0 451.866 4.780 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001456135229 1066518323 /nfs/dbraw/zinc/51/83/23/1066518323.db2.gz VALKYYUXUTYZRP-JOCHJYFZSA-N 0 0 451.951 4.573 20 5 JJBDRN Cn1c(CCNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc2ccc(F)cc21 ZINC001456140349 1066520305 /nfs/dbraw/zinc/52/03/05/1066520305.db2.gz HTXUTNYQDMQATE-UHFFFAOYSA-N 0 0 450.495 4.744 20 5 JJBDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001444964141 1066523534 /nfs/dbraw/zinc/52/35/34/1066523534.db2.gz BADLZTBQYCXUDL-APPDUMDISA-N 0 0 454.239 4.562 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCOc4ccccc4[C@@H]3CO)cc2[N+](=O)[O-])cc1 ZINC001456183809 1066531837 /nfs/dbraw/zinc/53/18/37/1066531837.db2.gz IIEREVLBQHWKAX-NRFANRHFSA-N 0 0 450.516 4.623 20 5 JJBDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001456188567 1066532976 /nfs/dbraw/zinc/53/29/76/1066532976.db2.gz OPJBQJOGBZCPFR-UHFFFAOYSA-N 0 0 456.973 4.692 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC001445052260 1066534115 /nfs/dbraw/zinc/53/41/15/1066534115.db2.gz VICOHRGVFZSPLT-UHFFFAOYSA-N 0 0 459.568 4.702 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC001361204761 1066535934 /nfs/dbraw/zinc/53/59/34/1066535934.db2.gz IILBNRKBPIFRNM-FQEVSTJZSA-N 0 0 450.601 4.923 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001456219172 1066539990 /nfs/dbraw/zinc/53/99/90/1066539990.db2.gz ZQGJELMKXXBHOG-IBGZPJMESA-N 0 0 457.527 4.552 20 5 JJBDRN CC(C)c1ccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCCC2)cc1 ZINC001456220553 1066540002 /nfs/dbraw/zinc/54/00/02/1066540002.db2.gz RNKOEDVZWKAVRP-FQEVSTJZSA-N 0 0 453.539 4.544 20 5 JJBDRN Cc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)C(C)C ZINC001456223423 1066540377 /nfs/dbraw/zinc/54/03/77/1066540377.db2.gz IZVCSDZIUPCGKW-SFHVURJKSA-N 0 0 452.292 4.943 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC001456239711 1066542763 /nfs/dbraw/zinc/54/27/63/1066542763.db2.gz IJJOSMXNXVSKFH-HNNXBMFYSA-N 0 0 452.536 4.816 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001456263593 1066549381 /nfs/dbraw/zinc/54/93/81/1066549381.db2.gz GKYXOSSSPQLMKQ-OAHLLOKOSA-N 0 0 457.552 4.976 20 5 JJBDRN COc1ccc(CCN(CC(C)C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc1OC ZINC001456273860 1066552330 /nfs/dbraw/zinc/55/23/30/1066552330.db2.gz JDIAVEYIKASEIR-UHFFFAOYSA-N 0 0 454.445 4.972 20 5 JJBDRN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])n2)c1 ZINC001445283897 1066553379 /nfs/dbraw/zinc/55/33/79/1066553379.db2.gz KVUCBFJDTCGGMR-OAQYLSRUSA-N 0 0 454.914 4.943 20 5 JJBDRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])n2)c1 ZINC001445283891 1066553449 /nfs/dbraw/zinc/55/34/49/1066553449.db2.gz KVUCBFJDTCGGMR-NRFANRHFSA-N 0 0 454.914 4.943 20 5 JJBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001456337387 1066564751 /nfs/dbraw/zinc/56/47/51/1066564751.db2.gz YCJSNZDYTPKBPK-ZDUSSCGKSA-N 0 0 452.736 4.530 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC001445431154 1066570950 /nfs/dbraw/zinc/57/09/50/1066570950.db2.gz OOKXTECIKVLDBE-UHFFFAOYSA-N 0 0 458.902 4.978 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001361233151 1066573908 /nfs/dbraw/zinc/57/39/08/1066573908.db2.gz DBMWRRDAKPWRHA-UHFFFAOYSA-N 0 0 458.440 4.628 20 5 JJBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc([N+](=O)[O-])ccc2I)o1 ZINC001361233439 1066574266 /nfs/dbraw/zinc/57/42/66/1066574266.db2.gz FZVCBORDNNTAQU-MEDUHNTESA-N 0 0 454.264 4.714 20 5 JJBDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])cc2I)o1 ZINC001361235688 1066575701 /nfs/dbraw/zinc/57/57/01/1066575701.db2.gz YATIERVMPLNWMT-ZBEGNZNMSA-N 0 0 454.264 4.714 20 5 JJBDRN Cc1cccc(COc2ccc([C@H](C)NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)c1 ZINC001361237352 1066577590 /nfs/dbraw/zinc/57/75/90/1066577590.db2.gz GYWKHXJHSUERKM-SFHVURJKSA-N 0 0 457.490 4.554 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)NCCc3nc4c(s3)COCC4)cc2[N+](=O)[O-])cc1 ZINC001456439057 1066586475 /nfs/dbraw/zinc/58/64/75/1066586475.db2.gz PINXVKFJSWIMIP-UHFFFAOYSA-N 0 0 455.561 4.556 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC001361250640 1066597172 /nfs/dbraw/zinc/59/71/72/1066597172.db2.gz LETWMWWQIBVVEZ-UHFFFAOYSA-N 0 0 455.268 4.565 20 5 JJBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001456502974 1066603783 /nfs/dbraw/zinc/60/37/83/1066603783.db2.gz DFMDWRLAXVWJSH-UXHICEINSA-N 0 0 455.312 4.539 20 5 JJBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001456502968 1066603813 /nfs/dbraw/zinc/60/38/13/1066603813.db2.gz DFMDWRLAXVWJSH-PMACEKPBSA-N 0 0 455.312 4.539 20 5 JJBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001456502978 1066603869 /nfs/dbraw/zinc/60/38/69/1066603869.db2.gz DFMDWRLAXVWJSH-VQTJNVASSA-N 0 0 455.312 4.539 20 5 JJBDRN COc1ccc(-n2c(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])nc3ccccc32)cc1 ZINC001456534887 1066616215 /nfs/dbraw/zinc/61/62/15/1066616215.db2.gz ZREKHKJNFSBEPQ-UHFFFAOYSA-N 0 0 454.845 4.916 20 5 JJBDRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001456542435 1066620631 /nfs/dbraw/zinc/62/06/31/1066620631.db2.gz MXXJSHNNRMRCHX-QFIPXVFZSA-N 0 0 456.955 4.998 20 5 JJBDRN CC[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC001445827764 1066624407 /nfs/dbraw/zinc/62/44/07/1066624407.db2.gz ZVJBDPMHYOWINO-WMZHIEFXSA-N 0 0 455.461 4.727 20 5 JJBDRN Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001361272174 1066626238 /nfs/dbraw/zinc/62/62/38/1066626238.db2.gz DRPQZBLVWCFXHN-FOIQADDNSA-N 0 0 498.609 4.621 20 5 JJBDRN CC[C@H](c1ccncc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001456603605 1066639295 /nfs/dbraw/zinc/63/92/95/1066639295.db2.gz MYEXEAVJOHEPJN-GOSISDBHSA-N 0 0 450.461 4.835 20 5 JJBDRN COc1cc(CCNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1O ZINC001445950589 1066639544 /nfs/dbraw/zinc/63/95/44/1066639544.db2.gz LMYFENPFAIWCSY-UHFFFAOYSA-N 0 0 455.898 4.547 20 5 JJBDRN CCC[C@H](C)N(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001456638388 1066654215 /nfs/dbraw/zinc/65/42/15/1066654215.db2.gz IZORASFQJYMYOG-ZDUSSCGKSA-N 0 0 451.570 4.850 20 5 JJBDRN Cc1cccnc1Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001492605557 1066663154 /nfs/dbraw/zinc/66/31/54/1066663154.db2.gz FKHWBWAWKAAOEZ-JOCHJYFZSA-N 0 0 450.543 4.595 20 5 JJBDRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC001456781070 1066689369 /nfs/dbraw/zinc/68/93/69/1066689369.db2.gz FZKPYCOYADLKHS-UHFFFAOYSA-N 0 0 457.502 4.805 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)c1 ZINC001446377570 1066697688 /nfs/dbraw/zinc/69/76/88/1066697688.db2.gz KPHXLEFTZXPOBK-UHFFFAOYSA-N 0 0 454.473 4.921 20 5 JJBDRN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1 ZINC001456810188 1066697865 /nfs/dbraw/zinc/69/78/65/1066697865.db2.gz DVLBOBILQAFJEF-SFHVURJKSA-N 0 0 452.429 4.945 20 5 JJBDRN Cc1c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001446390343 1066700930 /nfs/dbraw/zinc/70/09/30/1066700930.db2.gz HEIFZSQGQGZBPM-NSHDSACASA-N 0 0 458.418 4.615 20 5 JJBDRN CCOC(=O)c1csc(N(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)c2ccc(OC)cc2)n1 ZINC001456830715 1066703022 /nfs/dbraw/zinc/70/30/22/1066703022.db2.gz DQWUVWBWJJKEMX-UHFFFAOYSA-N 0 0 459.455 4.663 20 5 JJBDRN Cc1cnc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2nccs2)s1 ZINC001492630410 1066704470 /nfs/dbraw/zinc/70/44/70/1066704470.db2.gz UBSWCWQVVDMYGM-ZDUSSCGKSA-N 0 0 455.569 4.515 20 5 JJBDRN COC(=O)CCN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001456842929 1066704495 /nfs/dbraw/zinc/70/44/95/1066704495.db2.gz RLZSOKPNLGHXED-UHFFFAOYSA-N 0 0 452.438 4.523 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001492631912 1066709401 /nfs/dbraw/zinc/70/94/01/1066709401.db2.gz UEMGNRDZRJHCCX-OAHLLOKOSA-N 0 0 454.600 4.906 20 5 JJBDRN Cc1csc([C@@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C2)n1 ZINC001492642906 1066736715 /nfs/dbraw/zinc/73/67/15/1066736715.db2.gz VHERNSXSNXHUIS-MRXNPFEDSA-N 0 0 478.525 4.632 20 5 JJBDRN Cc1csc([C@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C2)n1 ZINC001492642905 1066736856 /nfs/dbraw/zinc/73/68/56/1066736856.db2.gz VHERNSXSNXHUIS-INIZCTEOSA-N 0 0 478.525 4.632 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC001457014540 1066742652 /nfs/dbraw/zinc/74/26/52/1066742652.db2.gz JSRLHHRGZKSCCI-NRFANRHFSA-N 0 0 456.882 4.793 20 5 JJBDRN Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)c1 ZINC001492645684 1066746906 /nfs/dbraw/zinc/74/69/06/1066746906.db2.gz FIOKHSPPUNXQJH-UHFFFAOYSA-N 0 0 454.943 4.956 20 5 JJBDRN Cc1cc(N2CCC(NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC001457054754 1066751672 /nfs/dbraw/zinc/75/16/72/1066751672.db2.gz TUCVEGFJHSBCNS-UHFFFAOYSA-N 0 0 457.600 4.539 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC001446879893 1066752373 /nfs/dbraw/zinc/75/23/73/1066752373.db2.gz KXNODKHVNHRHMP-UHFFFAOYSA-N 0 0 458.342 4.765 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCN([C@H](C)C(F)(F)F)CC3)cc2[N+](=O)[O-])cc1 ZINC001457075946 1066756246 /nfs/dbraw/zinc/75/62/46/1066756246.db2.gz NYXHQACJXSDFDC-OAHLLOKOSA-N 0 0 453.486 4.763 20 5 JJBDRN Cc1cscc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492653505 1066761847 /nfs/dbraw/zinc/76/18/47/1066761847.db2.gz BEBNOBZNNKDAGY-GOSISDBHSA-N 0 0 481.500 4.819 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1ccccc1OCc1ccccc1 ZINC001446997465 1066764150 /nfs/dbraw/zinc/76/41/50/1066764150.db2.gz QTULBZZCINCJJO-QGZVFWFLSA-N 0 0 452.532 4.749 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC001457171470 1066779670 /nfs/dbraw/zinc/77/96/70/1066779670.db2.gz YGUPGIUWPATOIG-HDICACEKSA-N 0 0 454.527 4.738 20 5 JJBDRN Cc1ncc(CC(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001457204399 1066788691 /nfs/dbraw/zinc/78/86/91/1066788691.db2.gz OLORNGPDCTYGLZ-UHFFFAOYSA-N 0 0 450.234 4.598 20 5 JJBDRN CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC001545994604 1066793007 /nfs/dbraw/zinc/79/30/07/1066793007.db2.gz CIDNOTZQJLXXII-FQEVSTJZSA-N 0 0 477.613 4.690 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC001457229808 1066794880 /nfs/dbraw/zinc/79/48/80/1066794880.db2.gz JZXNPEANBMVGAF-CQSZACIVSA-N 0 0 459.877 4.754 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC001457229800 1066795064 /nfs/dbraw/zinc/79/50/64/1066795064.db2.gz JZXNPEANBMVGAF-AWEZNQCLSA-N 0 0 459.877 4.754 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001492668504 1066796428 /nfs/dbraw/zinc/79/64/28/1066796428.db2.gz NMQLLPVUNWJHCA-OAHLLOKOSA-N 0 0 495.609 4.629 20 5 JJBDRN CCCC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC001447346278 1066797055 /nfs/dbraw/zinc/79/70/55/1066797055.db2.gz GQKHOTHHPADKKQ-HNNXBMFYSA-N 0 0 450.875 4.511 20 5 JJBDRN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC001545995512 1066806490 /nfs/dbraw/zinc/80/64/90/1066806490.db2.gz UGRILIQWHJMVPV-IBGZPJMESA-N 0 0 451.575 4.617 20 5 JJBDRN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001447561578 1066822081 /nfs/dbraw/zinc/82/20/81/1066822081.db2.gz JMBRTWSVEVUFKQ-OAQYLSRUSA-N 0 0 459.424 4.904 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)NCCOc3ccc(F)cc3F)cc2[N+](=O)[O-])n1 ZINC001457403914 1066823641 /nfs/dbraw/zinc/82/36/41/1066823641.db2.gz HVSYJBXBHVMOQR-UHFFFAOYSA-N 0 0 451.476 4.598 20 5 JJBDRN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001457410067 1066824128 /nfs/dbraw/zinc/82/41/28/1066824128.db2.gz USVVIFSKEVIVCO-UHFFFAOYSA-N 0 0 457.980 4.588 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC1CCC(CO)CC1 ZINC001447592284 1066826644 /nfs/dbraw/zinc/82/66/44/1066826644.db2.gz GXFGOXVHVKHDHL-AQTBWJFISA-N 0 0 451.548 4.803 20 5 JJBDRN CCOC(=O)C[C@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447692884 1066843493 /nfs/dbraw/zinc/84/34/93/1066843493.db2.gz WZSJLTJVHLWCJK-SUCHYCSPSA-N 0 0 453.520 4.593 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001447743056 1066851692 /nfs/dbraw/zinc/85/16/92/1066851692.db2.gz MOGZDVZFMOEWTJ-FQEVSTJZSA-N 0 0 459.587 4.803 20 5 JJBDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001447799378 1066860928 /nfs/dbraw/zinc/86/09/28/1066860928.db2.gz KOLDXRKBWBQVPM-VLIAUNLRSA-N 0 0 454.470 4.959 20 5 JJBDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001447806764 1066863792 /nfs/dbraw/zinc/86/37/92/1066863792.db2.gz VIIQIDVRORKFAW-QRWLVFNGSA-N 0 0 454.470 4.959 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC001447901415 1066874809 /nfs/dbraw/zinc/87/48/09/1066874809.db2.gz JLARKTCWKDQRJX-QGZVFWFLSA-N 0 0 457.683 4.672 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC001447901379 1066874851 /nfs/dbraw/zinc/87/48/51/1066874851.db2.gz JLARKTCWKDQRJX-KRWDZBQOSA-N 0 0 457.683 4.672 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC001447960690 1066883393 /nfs/dbraw/zinc/88/33/93/1066883393.db2.gz WXHQPEIXARFGHC-UHFFFAOYSA-N 0 0 451.857 4.727 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Cl)c2)c1 ZINC001457666786 1066893893 /nfs/dbraw/zinc/89/38/93/1066893893.db2.gz YCBVGJACNBEDAE-UHFFFAOYSA-N 0 0 450.886 4.752 20 5 JJBDRN O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457686727 1066897708 /nfs/dbraw/zinc/89/77/08/1066897708.db2.gz PGSXROOVBQITID-UHFFFAOYSA-N 0 0 450.838 4.728 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001457688770 1066897951 /nfs/dbraw/zinc/89/79/51/1066897951.db2.gz NGSUAGDGZUKDMC-UHFFFAOYSA-N 0 0 453.417 4.933 20 5 JJBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001448078827 1066898168 /nfs/dbraw/zinc/89/81/68/1066898168.db2.gz RUZBBPYMHVPINZ-CALCHBBNSA-N 0 0 454.527 4.808 20 5 JJBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001457713667 1066902984 /nfs/dbraw/zinc/90/29/84/1066902984.db2.gz ONZIJDDWTKESAS-ZWKOTPCHSA-N 0 0 455.268 4.682 20 5 JJBDRN C[C@@H](C1CC1)n1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001448161173 1066905154 /nfs/dbraw/zinc/90/51/54/1066905154.db2.gz KPCFLFGEVKFZRX-ZDUSSCGKSA-N 0 0 453.886 4.920 20 5 JJBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457771564 1066915556 /nfs/dbraw/zinc/91/55/56/1066915556.db2.gz CHCAHFAIJGWHKO-INIZCTEOSA-N 0 0 450.322 4.795 20 5 JJBDRN CCn1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 ZINC001457790614 1066921620 /nfs/dbraw/zinc/92/16/20/1066921620.db2.gz XHHWGLRBPRNNQG-UHFFFAOYSA-N 0 0 453.804 4.532 20 5 JJBDRN Cc1cc(C)n(Cc2nnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2CC(C)(C)C(C)C)n1 ZINC001492747028 1066922285 /nfs/dbraw/zinc/92/22/85/1066922285.db2.gz MRLCWUMVTSJZKJ-UHFFFAOYSA-N 0 0 495.628 4.778 20 5 JJBDRN Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001457860774 1066933253 /nfs/dbraw/zinc/93/32/53/1066933253.db2.gz VKYKMJRFQOCXDV-UHFFFAOYSA-N 0 0 458.099 4.732 20 5 JJBDRN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001457928234 1066942866 /nfs/dbraw/zinc/94/28/66/1066942866.db2.gz WMEJCCBWLFLPMN-UHFFFAOYSA-N 0 0 450.398 4.734 20 5 JJBDRN Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC001457939414 1066944260 /nfs/dbraw/zinc/94/42/60/1066944260.db2.gz WRJYFJSVPQGKQR-UHFFFAOYSA-N 0 0 451.277 4.660 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC001457965265 1066949225 /nfs/dbraw/zinc/94/92/25/1066949225.db2.gz AASADRKOGCKZRS-VXAPYIKBSA-N 0 0 459.768 4.803 20 5 JJBDRN COc1ccccc1COC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001457989025 1066953181 /nfs/dbraw/zinc/95/31/81/1066953181.db2.gz RBINRVYJAKLEHO-UHFFFAOYSA-N 0 0 453.520 4.548 20 5 JJBDRN C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001457989681 1066953275 /nfs/dbraw/zinc/95/32/75/1066953275.db2.gz BOADKRWZBLQASE-QGZVFWFLSA-N 0 0 450.516 4.998 20 5 JJBDRN CC(C)c1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC001458003485 1066955747 /nfs/dbraw/zinc/95/57/47/1066955747.db2.gz SWBFAIWJKOXJKC-ZDUSSCGKSA-N 0 0 452.292 4.684 20 5 JJBDRN Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC001448819195 1066959570 /nfs/dbraw/zinc/95/95/70/1066959570.db2.gz QIWHROQNGFBHDH-FQEVSTJZSA-N 0 0 455.580 4.572 20 5 JJBDRN CN(c1ccc(Oc2ncc(Cl)cc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001458055065 1066962548 /nfs/dbraw/zinc/96/25/48/1066962548.db2.gz UUDGSQFXWKWFBE-UHFFFAOYSA-N 0 0 454.291 4.914 20 5 JJBDRN C[C@H](C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001448889452 1066967124 /nfs/dbraw/zinc/96/71/24/1066967124.db2.gz KGOMHEUYXDMGFX-XJKSGUPXSA-N 0 0 450.308 4.703 20 5 JJBDRN O=C(Nc1cnn(-c2ccccc2Br)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001458071812 1066967315 /nfs/dbraw/zinc/96/73/15/1066967315.db2.gz CTHFBDBDNWPHMQ-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN CC(C)Oc1nc(N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)ccc1[N+](=O)[O-] ZINC001458073065 1066967323 /nfs/dbraw/zinc/96/73/23/1066967323.db2.gz QTWLHFGMYUOZDN-UHFFFAOYSA-N 0 0 456.543 4.967 20 5 JJBDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001458079599 1066969144 /nfs/dbraw/zinc/96/91/44/1066969144.db2.gz DZKSQRXJSLDMPC-UHFFFAOYSA-N 0 0 455.343 4.952 20 5 JJBDRN Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1Oc1ncccc1Br ZINC001448972185 1066974613 /nfs/dbraw/zinc/97/46/13/1066974613.db2.gz TZBOIZHRZQQMCQ-SFHVURJKSA-N 0 0 458.268 4.525 20 5 JJBDRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001458101438 1066975443 /nfs/dbraw/zinc/97/54/43/1066975443.db2.gz XSLIFNTWECUOLQ-UHFFFAOYSA-N 0 0 457.317 4.926 20 5 JJBDRN COC(=O)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001448995418 1066976237 /nfs/dbraw/zinc/97/62/37/1066976237.db2.gz XLGAXEYSOXNLPA-GOSISDBHSA-N 0 0 454.479 4.572 20 5 JJBDRN C[C@@H](c1cc(F)ccc1F)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC001458114934 1066979770 /nfs/dbraw/zinc/97/97/70/1066979770.db2.gz WBHSNLNKDMHXKA-HNNXBMFYSA-N 0 0 453.511 4.635 20 5 JJBDRN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001449061512 1066980758 /nfs/dbraw/zinc/98/07/58/1066980758.db2.gz NRDRSZNTXXDIAN-UHFFFAOYSA-N 0 0 451.701 4.500 20 5 JJBDRN CCOC(=O)c1ccnc(N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC001458119843 1066981199 /nfs/dbraw/zinc/98/11/99/1066981199.db2.gz FTPRNRQFFDXGTL-CQSZACIVSA-N 0 0 452.442 4.731 20 5 JJBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCc2ccc(F)cc2C1 ZINC001458123153 1066981933 /nfs/dbraw/zinc/98/19/33/1066981933.db2.gz AFQJWORNJNTGPC-UHFFFAOYSA-N 0 0 451.420 4.554 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC001458124103 1066982426 /nfs/dbraw/zinc/98/24/26/1066982426.db2.gz QEIBXOXBDSLPEE-UHFFFAOYSA-N 0 0 452.916 4.945 20 5 JJBDRN CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC001458140100 1066986035 /nfs/dbraw/zinc/98/60/35/1066986035.db2.gz YDKGKRKQTZHDCT-UHFFFAOYSA-N 0 0 459.490 4.671 20 5 JJBDRN Cc1c(Br)cc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC001449231318 1066991685 /nfs/dbraw/zinc/99/16/85/1066991685.db2.gz UTUGOFIASUKESH-GOSISDBHSA-N 0 0 458.312 4.520 20 5 JJBDRN Cc1c(Br)cc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)cc1[N+](=O)[O-] ZINC001449231324 1066991803 /nfs/dbraw/zinc/99/18/03/1066991803.db2.gz UTUGOFIASUKESH-SFHVURJKSA-N 0 0 458.312 4.520 20 5 JJBDRN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001449235453 1066992091 /nfs/dbraw/zinc/99/20/91/1066992091.db2.gz ZARUNXOLJGNNMN-UHFFFAOYSA-N 0 0 452.820 4.711 20 5 JJBDRN O=C(NC[C@H]1CCCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC001458168439 1066994865 /nfs/dbraw/zinc/99/48/65/1066994865.db2.gz STTAFELFROHDNX-CQSZACIVSA-N 0 0 457.893 4.974 20 5 JJBDRN COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c2ccccc2)cc1Br ZINC001458172838 1066995838 /nfs/dbraw/zinc/99/58/38/1066995838.db2.gz YDDLGDAFOASYRO-FQEVSTJZSA-N 0 0 456.296 4.666 20 5 JJBDRN O=[N+]([O-])c1ccc(N[C@H](Cc2ccccc2)c2cccs2)c(S(=O)(=O)N2CCCC2)c1 ZINC001458182189 1066999009 /nfs/dbraw/zinc/99/90/09/1066999009.db2.gz UVSMOTVKZHOEGP-HXUWFJFHSA-N 0 0 457.577 4.837 20 5 JJBDRN CCc1cc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458199013 1067002132 /nfs/dbraw/zinc/00/21/32/1067002132.db2.gz PKSGZMWTZKLFJG-UHFFFAOYSA-N 0 0 458.421 4.581 20 5 JJBDRN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001458219679 1067006224 /nfs/dbraw/zinc/00/62/24/1067006224.db2.gz NHZNKEMPKAPJIV-UHFFFAOYSA-N 0 0 453.852 4.627 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC(OC[C@@H]4CCCCO4)CC3)c([N+](=O)[O-])c2)cc1 ZINC001458222849 1067006892 /nfs/dbraw/zinc/00/68/92/1067006892.db2.gz UVLQOKKVQOFJGO-QFIPXVFZSA-N 0 0 453.539 4.710 20 5 JJBDRN CCc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458222523 1067006901 /nfs/dbraw/zinc/00/69/01/1067006901.db2.gz BVEOCVGRRBYDGU-QFIPXVFZSA-N 0 0 455.492 4.670 20 5 JJBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(c2ccc3ccccc3n2)CC1 ZINC001458227252 1067007546 /nfs/dbraw/zinc/00/75/46/1067007546.db2.gz BTHKEHOGNYRVPP-UHFFFAOYSA-N 0 0 453.371 4.519 20 5 JJBDRN CO[C@@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)cs1 ZINC001458229489 1067007758 /nfs/dbraw/zinc/00/77/58/1067007758.db2.gz JPOYVQCQUDYCKN-KRWDZBQOSA-N 0 0 453.568 4.533 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC001458231905 1067008535 /nfs/dbraw/zinc/00/85/35/1067008535.db2.gz PVLHTPCCGBBIFN-UHFFFAOYSA-N 0 0 453.520 4.556 20 5 JJBDRN CCc1cc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458297656 1067024846 /nfs/dbraw/zinc/02/48/46/1067024846.db2.gz YQXWZASGIIOIJM-FQEVSTJZSA-N 0 0 456.449 4.794 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)cc(C)cc1I ZINC001458322288 1067030121 /nfs/dbraw/zinc/03/01/21/1067030121.db2.gz PMHRPFUVHHFYIJ-ZDUSSCGKSA-N 0 0 456.255 4.854 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(F)cc(C)cc1I ZINC001458322283 1067030198 /nfs/dbraw/zinc/03/01/98/1067030198.db2.gz PMHRPFUVHHFYIJ-CYBMUJFWSA-N 0 0 456.255 4.854 20 5 JJBDRN Cc1cc(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)ccc1Br ZINC001458332488 1067033001 /nfs/dbraw/zinc/03/30/01/1067033001.db2.gz TUGHKUWLXCTDTO-UHFFFAOYSA-N 0 0 459.387 4.515 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NCCc3ccc4[nH]ccc4c3)c([N+](=O)[O-])c2)CC1 ZINC001458338668 1067034588 /nfs/dbraw/zinc/03/45/88/1067034588.db2.gz YVZJJXXBTXGRRE-UHFFFAOYSA-N 0 0 456.568 4.588 20 5 JJBDRN CN(Cc1cn(-c2cccc(Br)c2)nn1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458341845 1067035552 /nfs/dbraw/zinc/03/55/52/1067035552.db2.gz MNZGFGDEOBGDIA-UHFFFAOYSA-N 0 0 456.222 4.593 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001458341575 1067035886 /nfs/dbraw/zinc/03/58/86/1067035886.db2.gz RXSMRMYVWAYRLC-SFHVURJKSA-N 0 0 453.967 4.771 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001458355849 1067041461 /nfs/dbraw/zinc/04/14/61/1067041461.db2.gz IHDQGBRTNXAKIK-WMLDXEAASA-N 0 0 457.474 4.587 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001458365049 1067042712 /nfs/dbraw/zinc/04/27/12/1067042712.db2.gz RDHOQPOIOMCKTO-LLVKDONJSA-N 0 0 453.250 4.834 20 5 JJBDRN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC001458382532 1067046988 /nfs/dbraw/zinc/04/69/88/1067046988.db2.gz KYQVUEAVGSTJOH-NSHDSACASA-N 0 0 451.214 4.778 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC001458382038 1067047165 /nfs/dbraw/zinc/04/71/65/1067047165.db2.gz LDHCNWKWSRLPGJ-SFHVURJKSA-N 0 0 458.367 4.806 20 5 JJBDRN Cc1c(Br)cccc1C[C@@H](CO)CNc1c(Br)cccc1[N+](=O)[O-] ZINC001458385975 1067047302 /nfs/dbraw/zinc/04/73/02/1067047302.db2.gz VAAXMBGWHGABRF-GFCCVEGCSA-N 0 0 458.150 4.691 20 5 JJBDRN Cc1nc(Br)ccc1NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001458385823 1067047394 /nfs/dbraw/zinc/04/73/94/1067047394.db2.gz LEOSTTMBRQKIPR-LBPRGKRZSA-N 0 0 456.300 4.881 20 5 JJBDRN Cc1c(Br)cccc1C[C@H](CO)CNc1ccc([N+](=O)[O-])cc1Br ZINC001458387207 1067047803 /nfs/dbraw/zinc/04/78/03/1067047803.db2.gz ZQAUOKFQASYMDU-LBPRGKRZSA-N 0 0 458.150 4.691 20 5 JJBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001458388481 1067048276 /nfs/dbraw/zinc/04/82/76/1067048276.db2.gz QUIUHLQHYBBWIV-NYHFZMIOSA-N 0 0 456.930 4.616 20 5 JJBDRN O=C(NC/C=C/c1ccc(Br)cc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001450113547 1067050344 /nfs/dbraw/zinc/05/03/44/1067050344.db2.gz SPZLRMMOWRGTFQ-OWOJBTEDSA-N 0 0 458.081 4.702 20 5 JJBDRN CCc1ccccc1[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)NC(=O)OC(C)(C)C ZINC001458412737 1067055752 /nfs/dbraw/zinc/05/57/52/1067055752.db2.gz HAUBIHSNTJMJGN-CQSZACIVSA-N 0 0 457.453 4.587 20 5 JJBDRN COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001458460805 1067068416 /nfs/dbraw/zinc/06/84/16/1067068416.db2.gz DRHGZZXBHCIZNY-FCHUYYIVSA-N 0 0 464.905 4.872 20 5 JJBDRN Cc1c(Br)cccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001458458815 1067068580 /nfs/dbraw/zinc/06/85/80/1067068580.db2.gz ZPJKKZSYDVISRY-UHFFFAOYSA-N 0 0 453.236 4.571 20 5 JJBDRN O=C(CCC(=O)N1CCCC[C@H]1Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001450301202 1067070550 /nfs/dbraw/zinc/07/05/50/1067070550.db2.gz DATSYUGPVYKDJM-SFHVURJKSA-N 0 0 459.340 4.944 20 5 JJBDRN O=C1C[C@@]2(CCCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC001458485883 1067073662 /nfs/dbraw/zinc/07/36/62/1067073662.db2.gz CXJRJCKOIAJFKI-GOSISDBHSA-N 0 0 457.355 4.648 20 5 JJBDRN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C2 ZINC001458515367 1067078992 /nfs/dbraw/zinc/07/89/92/1067078992.db2.gz JUVQPVJZJKQZLJ-BVZFJXPGSA-N 0 0 451.523 4.709 20 5 JJBDRN CCOC(=O)C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001458524729 1067080818 /nfs/dbraw/zinc/08/08/18/1067080818.db2.gz FINCWQICOOHUIL-LVCYWYKZSA-N 0 0 453.539 4.501 20 5 JJBDRN CCOC(=O)c1ccnc(N2CCC[C@H]2c2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC001458538102 1067084612 /nfs/dbraw/zinc/08/46/12/1067084612.db2.gz RFKXSXLASMALPD-HNNXBMFYSA-N 0 0 454.708 4.924 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC001458542784 1067085215 /nfs/dbraw/zinc/08/52/15/1067085215.db2.gz BEKGIARRBAQCDO-UHFFFAOYSA-N 0 0 450.520 4.903 20 5 JJBDRN CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001458556353 1067087317 /nfs/dbraw/zinc/08/73/17/1067087317.db2.gz JZUCAIJDVZAOEN-UHFFFAOYSA-N 0 0 458.462 4.658 20 5 JJBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450554424 1067091137 /nfs/dbraw/zinc/09/11/37/1067091137.db2.gz OLMGEWOQLVEHNN-INIZCTEOSA-N 0 0 454.358 4.540 20 5 JJBDRN Cc1nc(-c2ccccc2)sc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001458599550 1067092430 /nfs/dbraw/zinc/09/24/30/1067092430.db2.gz WHZULRGWLJXFPE-UHFFFAOYSA-N 0 0 457.455 4.932 20 5 JJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450610417 1067095460 /nfs/dbraw/zinc/09/54/60/1067095460.db2.gz RUSRCWXKJIHAJC-GOSISDBHSA-N 0 0 456.804 4.603 20 5 JJBDRN O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001450628093 1067097077 /nfs/dbraw/zinc/09/70/77/1067097077.db2.gz VCTCMHROTIKPGP-VQTJNVASSA-N 0 0 459.271 4.701 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458621109 1067097172 /nfs/dbraw/zinc/09/71/72/1067097172.db2.gz HPSJNTQLSBQZDN-GFCCVEGCSA-N 0 0 458.729 4.671 20 5 JJBDRN O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001450639999 1067097973 /nfs/dbraw/zinc/09/79/73/1067097973.db2.gz ODFGWAHUPCKRJP-UHFFFAOYSA-N 0 0 450.838 4.619 20 5 JJBDRN COC(=O)/C=C/c1ccc(NCCc2cc(Br)ccc2SC)c([N+](=O)[O-])c1 ZINC001458661847 1067103117 /nfs/dbraw/zinc/10/31/17/1067103117.db2.gz DOZDEGYFASEWAP-XBXARRHUSA-N 0 0 451.342 4.920 20 5 JJBDRN CCc1cc(N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458686030 1067109485 /nfs/dbraw/zinc/10/94/85/1067109485.db2.gz WQVZCGBCNLEIBT-DEOSSOPVSA-N 0 0 453.543 4.594 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001450728342 1067111660 /nfs/dbraw/zinc/11/16/60/1067111660.db2.gz IWQVFCGVSGDGBD-HDJSIYSDSA-N 0 0 459.465 4.675 20 5 JJBDRN COC(=O)c1nc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)sc1C(C)C ZINC001450740817 1067113595 /nfs/dbraw/zinc/11/35/95/1067113595.db2.gz MTLNCHMQYOABHD-UHFFFAOYSA-N 0 0 457.458 4.578 20 5 JJBDRN Nc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] ZINC001450773026 1067119000 /nfs/dbraw/zinc/11/90/00/1067119000.db2.gz NSOZDEHKIWDFDQ-UHFFFAOYSA-N 0 0 456.568 4.751 20 5 JJBDRN O=C(NCC(=O)N(CCCc1ccccc1)c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001450841912 1067131032 /nfs/dbraw/zinc/13/10/32/1067131032.db2.gz QYRDREBINQSUCW-UHFFFAOYSA-N 0 0 451.910 4.644 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458763532 1067134747 /nfs/dbraw/zinc/13/47/47/1067134747.db2.gz QFLUAYUPYKZHIO-KXBFYZLASA-N 0 0 451.292 4.797 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001458770470 1067137264 /nfs/dbraw/zinc/13/72/64/1067137264.db2.gz SYLJKZCQTPQBHY-SNVBAGLBSA-N 0 0 457.683 4.502 20 5 JJBDRN Cn1cc(C(=O)OCc2nc(-c3c(F)cccc3F)cs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458810455 1067151941 /nfs/dbraw/zinc/15/19/41/1067151941.db2.gz BTDKIHAFLUGNMO-UHFFFAOYSA-N 0 0 456.430 4.754 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001451241032 1067154550 /nfs/dbraw/zinc/15/45/50/1067154550.db2.gz CQJFQLWNBLVSNA-FQEVSTJZSA-N 0 0 459.474 4.582 20 5 JJBDRN COc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)ccc1[N+](=O)[O-] ZINC001458839836 1067166890 /nfs/dbraw/zinc/16/68/90/1067166890.db2.gz UTTYCIXZAUQEBC-UHFFFAOYSA-N 0 0 452.488 4.529 20 5 JJBDRN CN(C)c1ccc(COC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)cc1[N+](=O)[O-] ZINC001458845198 1067169863 /nfs/dbraw/zinc/16/98/63/1067169863.db2.gz VJUOIOWGHGDBTP-UHFFFAOYSA-N 0 0 450.520 4.557 20 5 JJBDRN O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001458868360 1067179544 /nfs/dbraw/zinc/17/95/44/1067179544.db2.gz WFZBCLXGZDTESW-UHFFFAOYSA-N 0 0 456.518 4.593 20 5 JJBDRN O=C(NCc1c(F)c(F)c(Br)c(F)c1F)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001452025543 1067204208 /nfs/dbraw/zinc/20/42/08/1067204208.db2.gz DQRQGIBYLSPCLH-UHFFFAOYSA-N 0 0 459.552 4.636 20 5 JJBDRN CCC1(CC)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001546105037 1067205180 /nfs/dbraw/zinc/20/51/80/1067205180.db2.gz RWYDZBKSMIMKMW-UHFFFAOYSA-N 0 0 472.590 4.737 20 5 JJBDRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001458970660 1067213303 /nfs/dbraw/zinc/21/33/03/1067213303.db2.gz CMFHGDFIXFUHLC-UHFFFAOYSA-N 0 0 454.311 4.924 20 5 JJBDRN CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458977721 1067215756 /nfs/dbraw/zinc/21/57/56/1067215756.db2.gz LKNRKNPABIVWCQ-RHSMWYFYSA-N 0 0 457.581 4.779 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452265241 1067217176 /nfs/dbraw/zinc/21/71/76/1067217176.db2.gz DPVLPKBHMBYHNL-TYCQWZJGSA-N 0 0 456.564 4.659 20 5 JJBDRN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001458983121 1067218214 /nfs/dbraw/zinc/21/82/14/1067218214.db2.gz UKENRUOOJQJVGS-LBPRGKRZSA-N 0 0 454.264 4.730 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc2sccc2nc1Cl ZINC001458994037 1067223005 /nfs/dbraw/zinc/22/30/05/1067223005.db2.gz XAVGVUPDLFJRJX-UHFFFAOYSA-N 0 0 459.652 4.715 20 5 JJBDRN O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001458995199 1067223312 /nfs/dbraw/zinc/22/33/12/1067223312.db2.gz YQRJSVIJCABZQG-UHFFFAOYSA-N 0 0 455.639 4.515 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC001452453777 1067225434 /nfs/dbraw/zinc/22/54/34/1067225434.db2.gz NFIJCVRIXXDOFK-UHFFFAOYSA-N 0 0 451.342 4.893 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCCCC[C@H]1CO ZINC001452529004 1067231945 /nfs/dbraw/zinc/23/19/45/1067231945.db2.gz DXYIIKXRRKOEMA-GJPUVDBCSA-N 0 0 451.548 4.899 20 5 JJBDRN O=C(COc1cc([N+](=O)[O-])ccc1I)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001459029444 1067233138 /nfs/dbraw/zinc/23/31/38/1067233138.db2.gz CDPFBQWKDXIVHB-ZJUUUORDSA-N 0 0 457.186 4.516 20 5 JJBDRN O=C(COc1cc([N+](=O)[O-])ccc1I)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001459029440 1067233304 /nfs/dbraw/zinc/23/33/04/1067233304.db2.gz CDPFBQWKDXIVHB-VHSXEESVSA-N 0 0 457.186 4.516 20 5 JJBDRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001459036870 1067235872 /nfs/dbraw/zinc/23/58/72/1067235872.db2.gz QYSUAAXTEMKINN-UHFFFAOYSA-N 0 0 450.392 4.690 20 5 JJBDRN CCCOc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)c1 ZINC001452612592 1067236898 /nfs/dbraw/zinc/23/68/98/1067236898.db2.gz ZKJRBVDYYWATPT-UHFFFAOYSA-N 0 0 455.248 4.654 20 5 JJBDRN Cc1cc(C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])c(C)n1CC(F)(F)F ZINC001459058264 1067240814 /nfs/dbraw/zinc/24/08/14/1067240814.db2.gz DUGMGBZCFGAXRC-UHFFFAOYSA-N 0 0 453.186 4.739 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001459128422 1067257423 /nfs/dbraw/zinc/25/74/23/1067257423.db2.gz CTAOGGZTXQCFKX-QGZVFWFLSA-N 0 0 455.414 4.761 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1cc(F)ccc1Br ZINC001459170561 1067265607 /nfs/dbraw/zinc/26/56/07/1067265607.db2.gz XCMXEXAMUGJMGL-UHFFFAOYSA-N 0 0 450.014 4.746 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2nc(Cl)n(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)c1 ZINC001459268792 1067280458 /nfs/dbraw/zinc/28/04/58/1067280458.db2.gz DNQQCCSOKMUWNH-UHFFFAOYSA-N 0 0 450.764 4.624 20 5 JJBDRN Cc1c(Br)ccc(OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1[N+](=O)[O-] ZINC001459286815 1067283008 /nfs/dbraw/zinc/28/30/08/1067283008.db2.gz MAZVVBDZDLDNIK-LBPRGKRZSA-N 0 0 451.342 4.962 20 5 JJBDRN Cn1cc(C2=CCCN(C(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC001453166687 1067285427 /nfs/dbraw/zinc/28/54/27/1067285427.db2.gz VYGDPQCIEQKPEE-UHFFFAOYSA-N 0 0 451.914 4.523 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1SC ZINC001459318826 1067293533 /nfs/dbraw/zinc/29/35/33/1067293533.db2.gz OQPOXBMKZPDMLL-LBPRGKRZSA-N 0 0 452.916 4.646 20 5 JJBDRN COc1cc(C)c([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2I)cc1C ZINC001459320614 1067294089 /nfs/dbraw/zinc/29/40/89/1067294089.db2.gz LGXFBDNRUFIZNG-GFCCVEGCSA-N 0 0 455.248 4.743 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC001453343240 1067299601 /nfs/dbraw/zinc/29/96/01/1067299601.db2.gz WYFZHVOXOYRDAI-MRXNPFEDSA-N 0 0 451.951 4.748 20 5 JJBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001459355386 1067302075 /nfs/dbraw/zinc/30/20/75/1067302075.db2.gz QNJVDWGSGKKHMA-QGZVFWFLSA-N 0 0 455.946 4.818 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001453538121 1067311963 /nfs/dbraw/zinc/31/19/63/1067311963.db2.gz ZVLXBHLWIJAIOY-PZJWPPBQSA-N 0 0 463.921 4.831 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001546052843 1067314423 /nfs/dbraw/zinc/31/44/23/1067314423.db2.gz HUVBLDPNESCZCW-UHFFFAOYSA-N 0 0 455.417 4.596 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001459405738 1067314695 /nfs/dbraw/zinc/31/46/95/1067314695.db2.gz SKXSTWWCNYQUAL-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN COc1cccc(CN(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F ZINC001459411686 1067316145 /nfs/dbraw/zinc/31/61/45/1067316145.db2.gz GEWVNXSWRITDGO-QINSGFPZSA-N 0 0 450.466 4.993 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])n1 ZINC001459416648 1067319065 /nfs/dbraw/zinc/31/90/65/1067319065.db2.gz VQUWQBSENRZTDU-UHFFFAOYSA-N 0 0 458.521 4.734 20 5 JJBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC001459420595 1067320643 /nfs/dbraw/zinc/32/06/43/1067320643.db2.gz XSWCHDZETDEENT-UHFFFAOYSA-N 0 0 453.813 4.749 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC001453687134 1067322771 /nfs/dbraw/zinc/32/27/71/1067322771.db2.gz BTHXTJACTGYTIH-ASSNKEHSSA-N 0 0 453.873 4.745 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1c(F)ccc(Br)c1F ZINC001459428916 1067323677 /nfs/dbraw/zinc/32/36/77/1067323677.db2.gz RGPMJOCEBXKIAY-QMMMGPOBSA-N 0 0 450.619 4.800 20 5 JJBDRN CCN(CC1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001459565019 1067353274 /nfs/dbraw/zinc/35/32/74/1067353274.db2.gz YSMOXWIMWMBPQJ-UHFFFAOYSA-N 0 0 456.381 4.826 20 5 JJBDRN Cc1sc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001459579819 1067356135 /nfs/dbraw/zinc/35/61/35/1067356135.db2.gz ATIWHCXRNDMZRH-UHFFFAOYSA-N 0 0 450.520 4.828 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001459584339 1067357394 /nfs/dbraw/zinc/35/73/94/1067357394.db2.gz GPROXOHQTHYASR-QGZVFWFLSA-N 0 0 452.294 4.544 20 5 JJBDRN COc1ccc(NC(=O)CN2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001459651321 1067372262 /nfs/dbraw/zinc/37/22/62/1067372262.db2.gz DVSHQTALMCWPJD-JOCHJYFZSA-N 0 0 451.910 4.995 20 5 JJBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663151 1067375400 /nfs/dbraw/zinc/37/54/00/1067375400.db2.gz MITDQWGMVHRGPX-HOCLYGCPSA-N 0 0 455.902 4.505 20 5 JJBDRN O=C(CN(Cc1ccccc1Br)C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001459693060 1067385612 /nfs/dbraw/zinc/38/56/12/1067385612.db2.gz DUHUNRQQOYLYAG-UHFFFAOYSA-N 0 0 458.356 4.691 20 5 JJBDRN O=C(Cc1c[nH]c2cc(Br)ccc12)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001459741093 1067401439 /nfs/dbraw/zinc/40/14/39/1067401439.db2.gz CEELHRFOWWPNJW-UHFFFAOYSA-N 0 0 456.218 4.716 20 5 JJBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001459753638 1067407365 /nfs/dbraw/zinc/40/73/65/1067407365.db2.gz HZCHELXKASFURE-LJQANCHMSA-N 0 0 453.539 4.671 20 5 JJBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(F)c2F)CC1 ZINC001459760314 1067411453 /nfs/dbraw/zinc/41/14/53/1067411453.db2.gz MPJDSYUBZNQXNM-UHFFFAOYSA-N 0 0 455.486 4.987 20 5 JJBDRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC001459771276 1067415650 /nfs/dbraw/zinc/41/56/50/1067415650.db2.gz CTWLSRZKNVXNSV-UHFFFAOYSA-N 0 0 457.531 4.504 20 5 JJBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001459783637 1067420542 /nfs/dbraw/zinc/42/05/42/1067420542.db2.gz BKGCPYWGFYKFNW-TXTKFYIRSA-N 0 0 453.583 4.845 20 5 JJBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001459783634 1067420614 /nfs/dbraw/zinc/42/06/14/1067420614.db2.gz BKGCPYWGFYKFNW-SXWKCWPCSA-N 0 0 453.583 4.845 20 5 JJBDRN C[C@@H](OC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)c1cccc(OCc2ccccc2)c1 ZINC001459805184 1067431178 /nfs/dbraw/zinc/43/11/78/1067431178.db2.gz WQVFESBBKBHRHP-GOSISDBHSA-N 0 0 458.474 4.732 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC001459842838 1067449675 /nfs/dbraw/zinc/44/96/75/1067449675.db2.gz PNJIGRPJCYJHBI-UHFFFAOYSA-N 0 0 451.292 4.626 20 5 JJBDRN CSc1ccc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC001459869086 1067466220 /nfs/dbraw/zinc/46/62/20/1067466220.db2.gz PEILXWYMBHUEHS-UHFFFAOYSA-N 0 0 450.358 4.954 20 5 JJBDRN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001459882855 1067472308 /nfs/dbraw/zinc/47/23/08/1067472308.db2.gz QWOPWHPUKYGNBJ-UHFFFAOYSA-N 0 0 452.963 4.663 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc1SC ZINC001459884379 1067472744 /nfs/dbraw/zinc/47/27/44/1067472744.db2.gz XTAWYRMMZHDAKD-UHFFFAOYSA-N 0 0 454.533 4.665 20 5 JJBDRN C[C@H](C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cc1F ZINC001459935336 1067498435 /nfs/dbraw/zinc/49/84/35/1067498435.db2.gz KZTXFGAOXXUOSX-VIFPVBQESA-N 0 0 456.377 4.893 20 5 JJBDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001459985562 1067516095 /nfs/dbraw/zinc/51/60/95/1067516095.db2.gz IDRJXVDUABTYHH-UHFFFAOYSA-N 0 0 457.490 4.572 20 5 JJBDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 ZINC001460002433 1067522408 /nfs/dbraw/zinc/52/24/08/1067522408.db2.gz AXGRKAHUDDRHQE-QPJJXVBHSA-N 0 0 450.358 4.709 20 5 JJBDRN Cc1cc(O[C@@H](C)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1Cl ZINC001460004710 1067523627 /nfs/dbraw/zinc/52/36/27/1067523627.db2.gz JPLUDINNLQWKIM-LBPRGKRZSA-N 0 0 453.720 4.671 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC001460011843 1067526838 /nfs/dbraw/zinc/52/68/38/1067526838.db2.gz ONTJTMLWIJDTCQ-HXUWFJFHSA-N 0 0 454.365 4.580 20 5 JJBDRN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460027485 1067533198 /nfs/dbraw/zinc/53/31/98/1067533198.db2.gz BDXVSEJLPQEKKD-KRWDZBQOSA-N 0 0 459.325 4.757 20 5 JJBDRN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460027486 1067533236 /nfs/dbraw/zinc/53/32/36/1067533236.db2.gz BDXVSEJLPQEKKD-QGZVFWFLSA-N 0 0 459.325 4.757 20 5 JJBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc(NC(=O)OC(C)(C)C)c1 ZINC001460032592 1067534902 /nfs/dbraw/zinc/53/49/02/1067534902.db2.gz JDZXMOXMOLGUQW-UHFFFAOYSA-N 0 0 451.426 4.782 20 5 JJBDRN CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001460085491 1067550113 /nfs/dbraw/zinc/55/01/13/1067550113.db2.gz HIJNIMHZZIDPND-UHFFFAOYSA-N 0 0 455.518 4.561 20 5 JJBDRN COc1cc(CN2CCN(c3cccc(Cl)c3)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001460145251 1067564205 /nfs/dbraw/zinc/56/42/05/1067564205.db2.gz ZLVWPLYARKGXAO-CQSZACIVSA-N 0 0 455.889 4.611 20 5 JJBDRN COc1cc(CN2CCN(c3cccc(Cl)c3)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001460145250 1067564221 /nfs/dbraw/zinc/56/42/21/1067564221.db2.gz ZLVWPLYARKGXAO-AWEZNQCLSA-N 0 0 455.889 4.611 20 5 JJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001460176132 1067571313 /nfs/dbraw/zinc/57/13/13/1067571313.db2.gz NKJQTWLKOGJRJL-IBGZPJMESA-N 0 0 451.445 4.713 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460186446 1067574253 /nfs/dbraw/zinc/57/42/53/1067574253.db2.gz GRAZQFLUCXXNFW-OAHLLOKOSA-N 0 0 450.308 4.884 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460208342 1067579714 /nfs/dbraw/zinc/57/97/14/1067579714.db2.gz QEGQNWFWDNRHJM-LEWJYISDSA-N 0 0 459.518 4.625 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001460213801 1067580975 /nfs/dbraw/zinc/58/09/75/1067580975.db2.gz MWTIMPGNTNVGGO-KRWDZBQOSA-N 0 0 458.356 4.977 20 5 JJBDRN Cc1cc(C)n2c(nnc2-c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001460271856 1067595005 /nfs/dbraw/zinc/59/50/05/1067595005.db2.gz BXWAEIZNJUECRZ-UHFFFAOYSA-N 0 0 457.277 4.875 20 5 JJBDRN CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C)n2)CCS1 ZINC001546115254 1067598696 /nfs/dbraw/zinc/59/86/96/1067598696.db2.gz XVVJNBJCPAGKKV-UHFFFAOYSA-N 0 0 472.640 4.973 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319823 1067607253 /nfs/dbraw/zinc/60/72/53/1067607253.db2.gz YWYOPXKRVOYGOL-YZGWKJHDSA-N 0 0 453.967 4.675 20 5 JJBDRN Cc1ccc(SC2CCCC2)c(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001460520362 1067648142 /nfs/dbraw/zinc/64/81/42/1067648142.db2.gz BOLXCIOSSLNPIF-UHFFFAOYSA-N 0 0 453.564 4.536 20 5 JJBDRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001460590178 1067663623 /nfs/dbraw/zinc/66/36/23/1067663623.db2.gz DAAAJICNLWMHOU-HXUWFJFHSA-N 0 0 457.324 4.775 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001460611317 1067669658 /nfs/dbraw/zinc/66/96/58/1067669658.db2.gz CULYJAXJOHGIRO-RDPSFJRHSA-N 0 0 457.502 4.668 20 5 JJBDRN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(CCCc1ccccc1)c1ccccc1 ZINC001460685861 1067701440 /nfs/dbraw/zinc/70/14/40/1067701440.db2.gz AEZRRQLGBSLMNH-UHFFFAOYSA-N 0 0 457.486 4.528 20 5 JJBDRN O=C(NCCc1cccc(Br)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001460742765 1067713355 /nfs/dbraw/zinc/71/33/55/1067713355.db2.gz XXARGUVHNZDEOQ-UHFFFAOYSA-N 0 0 454.324 4.942 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC001460745236 1067714106 /nfs/dbraw/zinc/71/41/06/1067714106.db2.gz MXFSHSFCARORHB-FUHWJXTLSA-N 0 0 477.920 4.910 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001460810631 1067728271 /nfs/dbraw/zinc/72/82/71/1067728271.db2.gz VTEBDDTYJYEGEN-MAUKXSAKSA-N 0 0 450.276 4.608 20 5 JJBDRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001460832256 1067731432 /nfs/dbraw/zinc/73/14/32/1067731432.db2.gz OJWLHFKBOUEMKO-ZWKOTPCHSA-N 0 0 459.568 4.786 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001461007023 1067761294 /nfs/dbraw/zinc/76/12/94/1067761294.db2.gz JLOVOEXIDKNJIJ-SJLPKXTDSA-N 0 0 457.914 4.779 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CNc2cc(F)c(N3CCCC3)c(F)c2)c1 ZINC001461073963 1067776402 /nfs/dbraw/zinc/77/64/02/1067776402.db2.gz VYYYFZHBAHAQCO-UHFFFAOYSA-N 0 0 459.234 4.690 20 5 JJBDRN O=C(Nc1cnn(Cc2cc(F)ccc2Cl)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC001461077109 1067777113 /nfs/dbraw/zinc/77/71/13/1067777113.db2.gz DDEFAFUHZCXNCX-UHFFFAOYSA-N 0 0 459.684 4.708 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)cc(Br)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001461172430 1067792616 /nfs/dbraw/zinc/79/26/16/1067792616.db2.gz UDCWSZFJJWVTBE-UHFFFAOYSA-N 0 0 456.121 4.625 20 5 JJBDRN CC(C)[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001461198712 1067797877 /nfs/dbraw/zinc/79/78/77/1067797877.db2.gz WCGWMCVBFFDXMB-AEFFLSMTSA-N 0 0 456.543 4.507 20 5 JJBDRN O=C(OCc1ncc(Br)cc1Cl)c1ccc(Br)cc1[N+](=O)[O-] ZINC001461257608 1067811892 /nfs/dbraw/zinc/81/18/92/1067811892.db2.gz ZSFPTWKJBVYIPU-UHFFFAOYSA-N 0 0 450.470 4.525 20 5 JJBDRN C[C@@H]1CN(c2cc(F)cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2)C[C@H](C)O1 ZINC001461283807 1067817461 /nfs/dbraw/zinc/81/74/61/1067817461.db2.gz JCJDAFMAXBFOSN-CALCHBBNSA-N 0 0 456.518 4.590 20 5 JJBDRN Cc1c(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001546123228 1067823116 /nfs/dbraw/zinc/82/31/16/1067823116.db2.gz LOIFJPNBXDZUBW-UHFFFAOYSA-N 0 0 450.405 4.758 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461314271 1067826438 /nfs/dbraw/zinc/82/64/38/1067826438.db2.gz FTAMVDMQVUBLPV-UHFFFAOYSA-N 0 0 456.327 4.961 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2[N+](=O)[O-])C1 ZINC001461409619 1067848753 /nfs/dbraw/zinc/84/87/53/1067848753.db2.gz JSLBNUSSIDVGKZ-HZPDHXFCSA-N 0 0 451.552 4.772 20 5 JJBDRN O=C(NCCO[C@H]1CC1(F)F)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001461419694 1067852077 /nfs/dbraw/zinc/85/20/77/1067852077.db2.gz XOMAASPXEVQOAI-INIZCTEOSA-N 0 0 451.476 4.510 20 5 JJBDRN O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001461453351 1067860253 /nfs/dbraw/zinc/86/02/53/1067860253.db2.gz PJTPMZHCBVTBTR-UHFFFAOYSA-N 0 0 454.486 4.768 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001461474126 1067867612 /nfs/dbraw/zinc/86/76/12/1067867612.db2.gz GDDPXTSVPACZAL-BXXSPATCSA-N 0 0 465.550 4.608 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001461474129 1067867777 /nfs/dbraw/zinc/86/77/77/1067867777.db2.gz GDDPXTSVPACZAL-WZYRSQIMSA-N 0 0 465.550 4.608 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1F ZINC001461475306 1067868168 /nfs/dbraw/zinc/86/81/68/1067868168.db2.gz GZSKGTOHQBUBIM-UYAOXDASSA-N 0 0 457.502 4.565 20 5 JJBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001461482078 1067871817 /nfs/dbraw/zinc/87/18/17/1067871817.db2.gz GNTPRFMMIQQIDP-MRXNPFEDSA-N 0 0 452.248 4.550 20 5 JJBDRN Cc1ccc2oc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001461609879 1067901243 /nfs/dbraw/zinc/90/12/43/1067901243.db2.gz ZBKBLQKZFHPCOG-DEOSSOPVSA-N 0 0 453.495 4.706 20 5 JJBDRN C[C@H](C(=O)N1CCCc2cccc(CNC(=O)OC(C)(C)C)c21)c1ccc([N+](=O)[O-])cc1F ZINC001461630601 1067905591 /nfs/dbraw/zinc/90/55/91/1067905591.db2.gz JCOUTDWXNRXNMW-HNNXBMFYSA-N 0 0 457.502 4.842 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001461738643 1067928199 /nfs/dbraw/zinc/92/81/99/1067928199.db2.gz ZCOCUVRTLNIVHW-QFIPXVFZSA-N 0 0 451.589 4.862 20 5 JJBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461754346 1067931036 /nfs/dbraw/zinc/93/10/36/1067931036.db2.gz KDXHQNLQXWENPA-LRDDRELGSA-N 0 0 455.736 4.916 20 5 JJBDRN CCOc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1C ZINC001461773773 1067934912 /nfs/dbraw/zinc/93/49/12/1067934912.db2.gz IEGKLKQNUABFOM-UHFFFAOYSA-N 0 0 457.490 4.731 20 5 JJBDRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC001461871367 1067951721 /nfs/dbraw/zinc/95/17/21/1067951721.db2.gz CPFSVXKXLHNBTL-VNHYZAJKSA-N 0 0 459.465 4.768 20 5 JJBDRN COc1cc(C(=O)Nc2c(C)cccc2C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC001461875270 1067952442 /nfs/dbraw/zinc/95/24/42/1067952442.db2.gz TZHRJDHEGNXXCD-UHFFFAOYSA-N 0 0 452.410 4.721 20 5 JJBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001461920841 1067961339 /nfs/dbraw/zinc/96/13/39/1067961339.db2.gz NBMAHEGVOPDMEL-HJDVLLJCSA-N 0 0 457.958 4.572 20 5 JJBDRN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1=Cc2cc(Br)ccc2OC1 ZINC001461946759 1067966850 /nfs/dbraw/zinc/96/68/50/1067966850.db2.gz NOPOFAMCPOCSTE-INIZCTEOSA-N 0 0 458.186 4.980 20 5 JJBDRN CC(C)(C)OC(=O)COc1cccc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1 ZINC001461949265 1067967127 /nfs/dbraw/zinc/96/71/27/1067967127.db2.gz QZPMPMYYZNMWSF-GOSISDBHSA-N 0 0 455.385 4.776 20 5 JJBDRN COc1ccc([C@@H]2CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1F ZINC001461951554 1067967577 /nfs/dbraw/zinc/96/75/77/1067967577.db2.gz DKNWPEGMAKABDP-CQSZACIVSA-N 0 0 455.408 4.579 20 5 JJBDRN COC(=O)[C@@](C)(NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)c1cccc([N+](=O)[O-])c1 ZINC001462023603 1067983304 /nfs/dbraw/zinc/98/33/04/1067983304.db2.gz ROTRMAQAAGELMD-IBGZPJMESA-N 0 0 452.410 4.647 20 5 JJBDRN COC(=O)[C@](C)(NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001462024055 1067983738 /nfs/dbraw/zinc/98/37/38/1067983738.db2.gz VDOMFGDPBOMWRV-RUZDIDTESA-N 0 0 450.466 4.836 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCO[C@H]1C ZINC001462118596 1068008080 /nfs/dbraw/zinc/00/80/80/1068008080.db2.gz PVNFRUBGPFXPIQ-DJJJIMSYSA-N 0 0 451.292 4.937 20 5 JJBDRN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2cc(Cl)ccc2o1 ZINC001462124728 1068010653 /nfs/dbraw/zinc/01/06/53/1068010653.db2.gz JFNMYUMVDPFSNB-UHFFFAOYSA-N 0 0 452.692 4.746 20 5 JJBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC001462158362 1068018814 /nfs/dbraw/zinc/01/88/14/1068018814.db2.gz WXVTTZXMNLBGBH-UHFFFAOYSA-N 0 0 450.278 4.785 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC001462259472 1068040296 /nfs/dbraw/zinc/04/02/96/1068040296.db2.gz AELVQMMDWIFKAX-UHFFFAOYSA-N 0 0 454.792 4.822 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(F)(F)F)CC2)CCCC1 ZINC001546130721 1068048353 /nfs/dbraw/zinc/04/83/53/1068048353.db2.gz ADZJJCGTCQOXHX-UHFFFAOYSA-N 0 0 466.508 4.508 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@@H](C(C)C)C2)CCOCC1 ZINC001546130811 1068050530 /nfs/dbraw/zinc/05/05/30/1068050530.db2.gz FBAAMOBFNHBWEX-HXUWFJFHSA-N 0 0 459.616 4.638 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)c2nccs2)CCOCC1 ZINC001546130814 1068051170 /nfs/dbraw/zinc/05/11/70/1068051170.db2.gz FCXMPSGNNPNKKX-QGZVFWFLSA-N 0 0 470.599 4.757 20 5 JJBDRN O=C(Nc1ccccc1Oc1cccc(I)c1)c1ccc([N+](=O)[O-])o1 ZINC001462360516 1068059406 /nfs/dbraw/zinc/05/94/06/1068059406.db2.gz MFQXWQOLSIGCKM-UHFFFAOYSA-N 0 0 450.188 4.837 20 5 JJBDRN Cc1cc(OCC(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001462412030 1068069430 /nfs/dbraw/zinc/06/94/30/1068069430.db2.gz SBGPHIPELZNFKA-NRFANRHFSA-N 0 0 455.511 4.673 20 5 JJBDRN Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC001462493128 1068084940 /nfs/dbraw/zinc/08/49/40/1068084940.db2.gz GSDCOENBXFHTFV-UHFFFAOYSA-N 0 0 452.355 4.710 20 5 JJBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)n1 ZINC001462546269 1068095509 /nfs/dbraw/zinc/09/55/09/1068095509.db2.gz GQODWRLDPRERLZ-UHFFFAOYSA-N 0 0 450.829 4.807 20 5 JJBDRN CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001462545943 1068095582 /nfs/dbraw/zinc/09/55/82/1068095582.db2.gz FCSPOYCAGYPRHG-UHFFFAOYSA-N 0 0 450.829 4.564 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001462570153 1068099805 /nfs/dbraw/zinc/09/98/05/1068099805.db2.gz SMSJTLKYJHIFGI-INIZCTEOSA-N 0 0 457.552 4.732 20 5 JJBDRN CCCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1OC ZINC001462583781 1068103917 /nfs/dbraw/zinc/10/39/17/1068103917.db2.gz VHHKPSFDQQTKPJ-PWAGRJGVSA-N 0 0 453.539 4.561 20 5 JJBDRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001462732072 1068147177 /nfs/dbraw/zinc/14/71/77/1068147177.db2.gz MORSXCJNCXTRSF-QGZVFWFLSA-N 0 0 453.520 4.505 20 5 JJBDRN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001462735928 1068148248 /nfs/dbraw/zinc/14/82/48/1068148248.db2.gz QRVCQPALPVVSPH-GOSISDBHSA-N 0 0 456.564 4.842 20 5 JJBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c(F)c1 ZINC001462834221 1068183792 /nfs/dbraw/zinc/18/37/92/1068183792.db2.gz NTPONIUTIJENNR-UHFFFAOYSA-N 0 0 452.257 4.931 20 5 JJBDRN COc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC001462844235 1068187548 /nfs/dbraw/zinc/18/75/48/1068187548.db2.gz AVOSDPLKMPFNGL-CYBMUJFWSA-N 0 0 454.932 4.618 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(OCc3ccncc3)cc2)c(Cl)cc1Cl ZINC001462862266 1068194463 /nfs/dbraw/zinc/19/44/63/1068194463.db2.gz RHNXPHXXSPOIJL-UHFFFAOYSA-N 0 0 455.275 4.643 20 5 JJBDRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001462949164 1068225757 /nfs/dbraw/zinc/22/57/57/1068225757.db2.gz KNWLPJRQTRQOES-QGZVFWFLSA-N 0 0 458.511 4.565 20 5 JJBDRN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC001462951385 1068226292 /nfs/dbraw/zinc/22/62/92/1068226292.db2.gz VEXHFOHTRGXUDV-NRFANRHFSA-N 0 0 458.511 4.622 20 5 JJBDRN Cc1ccc(COc2ccc(C[C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)cc1 ZINC001463015183 1068251991 /nfs/dbraw/zinc/25/19/91/1068251991.db2.gz MQSNWLMFCAQEOW-LJQANCHMSA-N 0 0 454.548 4.700 20 5 JJBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1 ZINC001463052580 1068266786 /nfs/dbraw/zinc/26/67/86/1068266786.db2.gz DKJCCQQIMKNAFP-UHFFFAOYSA-N 0 0 458.458 4.768 20 5 JJBDRN Cc1ccccc1Oc1ccccc1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001463052577 1068266841 /nfs/dbraw/zinc/26/68/41/1068266841.db2.gz DJMUGOXAMJDYRV-UHFFFAOYSA-N 0 0 450.875 4.967 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2cccs2)c(C(F)(F)F)c1 ZINC001463078315 1068280024 /nfs/dbraw/zinc/28/00/24/1068280024.db2.gz HNWQLULAYSBIJM-MRXNPFEDSA-N 0 0 456.467 4.937 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1 ZINC001463134091 1068298440 /nfs/dbraw/zinc/29/84/40/1068298440.db2.gz GKPODJSTAXKLJI-UHFFFAOYSA-N 0 0 456.476 4.642 20 5 JJBDRN Cc1cc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Br)ccc2nc1Cl ZINC001463137609 1068299475 /nfs/dbraw/zinc/29/94/75/1068299475.db2.gz XPAJMODLVSBUNY-UHFFFAOYSA-N 0 0 457.689 4.635 20 5 JJBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001463198487 1068317589 /nfs/dbraw/zinc/31/75/89/1068317589.db2.gz VBGPAGDTRBGYKD-GOSISDBHSA-N 0 0 456.568 4.711 20 5 JJBDRN O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)OC1CCOCC1 ZINC001463215160 1068323062 /nfs/dbraw/zinc/32/30/62/1068323062.db2.gz NBZVQPVKQJCFNZ-UHFFFAOYSA-N 0 0 455.250 4.848 20 5 JJBDRN CSc1cccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2F)c1 ZINC001463224744 1068326519 /nfs/dbraw/zinc/32/65/19/1068326519.db2.gz YJXCMILDOHOQGY-FQEVSTJZSA-N 0 0 450.488 4.663 20 5 JJBDRN CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001463251232 1068334971 /nfs/dbraw/zinc/33/49/71/1068334971.db2.gz MFUNOBVURKPNNX-SJLPKXTDSA-N 0 0 453.358 4.704 20 5 JJBDRN CCCOc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001463263488 1068338390 /nfs/dbraw/zinc/33/83/90/1068338390.db2.gz SBAYHISVUNWFCU-LJQANCHMSA-N 0 0 457.552 4.998 20 5 JJBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1csc2ccccc21 ZINC001463286194 1068344791 /nfs/dbraw/zinc/34/47/91/1068344791.db2.gz KOJNAJQKWGTZCT-SNVBAGLBSA-N 0 0 452.273 4.905 20 5 JJBDRN CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001463330018 1068358778 /nfs/dbraw/zinc/35/87/78/1068358778.db2.gz RIWLGWWTHURHAO-UHFFFAOYSA-N 0 0 459.930 4.908 20 5 JJBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@@H](C)c1ccccc1C(F)(F)F ZINC001463363246 1068372276 /nfs/dbraw/zinc/37/22/76/1068372276.db2.gz WQPQYKJDPNSZHK-OLZOCXBDSA-N 0 0 453.442 4.632 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC001463450083 1068400888 /nfs/dbraw/zinc/40/08/88/1068400888.db2.gz DXVXJRDUTPMCKN-VIFPVBQESA-N 0 0 455.266 4.851 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001463452617 1068402943 /nfs/dbraw/zinc/40/29/43/1068402943.db2.gz QCXNFFZBCKNJBT-HNNXBMFYSA-N 0 0 451.951 4.795 20 5 JJBDRN CC1CCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC001463468093 1068410973 /nfs/dbraw/zinc/41/09/73/1068410973.db2.gz MVTVUIAEPWBBMB-HSZRJFAPSA-N 0 0 458.562 4.982 20 5 JJBDRN CC[C@H](CN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1ccccc1 ZINC001463562671 1068444828 /nfs/dbraw/zinc/44/48/28/1068444828.db2.gz SMVWJNOUSGZXDP-OAHLLOKOSA-N 0 0 455.374 4.870 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001463577878 1068453154 /nfs/dbraw/zinc/45/31/54/1068453154.db2.gz MIGPEZDWLMIAQY-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN COc1cccc(C2(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCCC2)c1 ZINC001463728937 1068506575 /nfs/dbraw/zinc/50/65/75/1068506575.db2.gz KWGARVDGCXVKFU-UHFFFAOYSA-N 0 0 451.445 4.662 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(OCC3CC3)c(Cl)c2)c(C(F)(F)F)c1 ZINC001463760091 1068515219 /nfs/dbraw/zinc/51/52/19/1068515219.db2.gz AJNVIKAFWBHRKP-UHFFFAOYSA-N 0 0 451.806 4.824 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c(Cl)cc1Cl ZINC001463985652 1068581390 /nfs/dbraw/zinc/58/13/90/1068581390.db2.gz NAJDRJBXDNRVJG-KZNAEPCWSA-N 0 0 457.335 4.585 20 5 JJBDRN COc1ccc(C(=O)C2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)CC2)cc1 ZINC001463989376 1068582638 /nfs/dbraw/zinc/58/26/38/1068582638.db2.gz PSDAPCYLRPQPKP-UHFFFAOYSA-N 0 0 455.269 4.784 20 5 JJBDRN COc1cc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1OCc1ccccc1 ZINC001463992820 1068583190 /nfs/dbraw/zinc/58/31/90/1068583190.db2.gz BUNICOAWZXGJKD-UHFFFAOYSA-N 0 0 458.474 4.503 20 5 JJBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(C(F)(F)F)ccc1Br ZINC001464137275 1068630441 /nfs/dbraw/zinc/63/04/41/1068630441.db2.gz VOLHOYLFPVBEGY-UHFFFAOYSA-N 0 0 458.183 4.591 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001464289293 1068692856 /nfs/dbraw/zinc/69/28/56/1068692856.db2.gz NKZQKBKXMUMYJL-WMZHIEFXSA-N 0 0 450.535 4.718 20 5 JJBDRN COc1ccc(CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC001464355714 1068717360 /nfs/dbraw/zinc/71/73/60/1068717360.db2.gz HAEBLUWJXDIKBO-QGZVFWFLSA-N 0 0 455.511 4.539 20 5 JJBDRN Cc1cc(F)c(Br)cc1OS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001464418983 1068739117 /nfs/dbraw/zinc/73/91/17/1068739117.db2.gz BQLAEAQTUBIWPF-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001464459799 1068754313 /nfs/dbraw/zinc/75/43/13/1068754313.db2.gz CFPLHKQADIQZEQ-OAQYLSRUSA-N 0 0 455.555 4.858 20 5 JJBDRN Cc1ccc(CN(CCCC(C)C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC001464520045 1068771212 /nfs/dbraw/zinc/77/12/12/1068771212.db2.gz FYTJZYMETYSBFR-UHFFFAOYSA-N 0 0 459.362 4.886 20 5 JJBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001464542218 1068776765 /nfs/dbraw/zinc/77/67/65/1068776765.db2.gz GZRFDWJWNUOISA-IPJJNNNSSA-N 0 0 451.567 4.933 20 5 JJBDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC001464572331 1068786712 /nfs/dbraw/zinc/78/67/12/1068786712.db2.gz GPTUWGIFXFMDKS-UHFFFAOYSA-N 0 0 453.857 4.658 20 5 JJBDRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccc([N+](=O)[O-])c5)c4)C[C@@H]3O2)n1 ZINC001164646600 719301838 /nfs/dbraw/zinc/30/18/38/719301838.db2.gz BFVKKYZAVRWCCM-CCKFTAQKSA-N 0 0 491.882 4.903 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164662849 719348491 /nfs/dbraw/zinc/34/84/91/719348491.db2.gz AIGSESYORQAMCX-UHFFFAOYSA-N 0 0 466.973 4.646 20 5 JJBDRN O=[N+]([O-])c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC001164677849 719530611 /nfs/dbraw/zinc/53/06/11/719530611.db2.gz HJBFVTNAYHNUQY-UHFFFAOYSA-N 0 0 462.525 4.667 20 5 JJBDRN O=[N+]([O-])c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC001164677094 719533515 /nfs/dbraw/zinc/53/35/15/719533515.db2.gz BWOWAZDNEMNBPB-UHFFFAOYSA-N 0 0 480.515 4.806 20 5 JJBDRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccsc1 ZINC001164882798 721359931 /nfs/dbraw/zinc/35/99/31/721359931.db2.gz LCCFRCLSZXJNIU-QZTJIDSGSA-N 0 0 491.907 4.696 20 5 JJBDRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)Cc2cnn(C)c21 ZINC001164789085 721478892 /nfs/dbraw/zinc/47/88/92/721478892.db2.gz AUDFBHRFVXNWDR-MRXNPFEDSA-N 0 0 477.899 4.729 20 5 JJBDRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C3)c1 ZINC001164797450 721600289 /nfs/dbraw/zinc/60/02/89/721600289.db2.gz AOYRBFIXXORSLK-OXJNMPFZSA-N 0 0 452.889 4.715 20 5 JJBDRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C3)c1 ZINC001164802156 721600897 /nfs/dbraw/zinc/60/08/97/721600897.db2.gz RHUVQYDQIXZJGW-OXJNMPFZSA-N 0 0 452.889 4.715 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C[C@H]2c1ccccc1 ZINC001164913935 721739224 /nfs/dbraw/zinc/73/92/24/721739224.db2.gz ZNMJEOWLTDOYJC-WMZHIEFXSA-N 0 0 499.905 4.610 20 5 JJBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164912225 721761077 /nfs/dbraw/zinc/76/10/77/721761077.db2.gz VVMMXMKTYLFXBQ-UHFFFAOYSA-N 0 0 463.925 4.979 20 5 JJBDRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCCC2)C1 ZINC001359729096 1064278490 /nfs/dbraw/zinc/27/84/90/1064278490.db2.gz SCCCLJULXBTEFP-OAQYLSRUSA-N 0 0 468.602 4.518 20 5 JJBDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccc(C(F)F)n2)C1 ZINC001359729362 1064279696 /nfs/dbraw/zinc/27/96/96/1064279696.db2.gz YEOJDANOZCKPJO-INIZCTEOSA-N 0 0 457.485 4.502 20 5 JJBDRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001434893662 1064322312 /nfs/dbraw/zinc/32/23/12/1064322312.db2.gz GMBNVJBUGZTEPD-UHFFFAOYSA-N 0 0 455.820 4.735 20 5 JJBDRN CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2(C)C)CCS1 ZINC001359746152 1064322810 /nfs/dbraw/zinc/32/28/10/1064322810.db2.gz AHIVHTMDOSLVRS-IEBWSBKVSA-N 0 0 461.657 4.963 20 5 JJBDRN CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001359756903 1064355590 /nfs/dbraw/zinc/35/55/90/1064355590.db2.gz ACHGVNSQBQONTI-GHTZIAJQSA-N 0 0 470.961 4.599 20 5 JJBDRN O=C(Nc1ccnn1C[C@H]1CCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001434940551 1064363385 /nfs/dbraw/zinc/36/33/85/1064363385.db2.gz BOBBLUVRPZPGCX-CQSZACIVSA-N 0 0 458.927 4.885 20 5 JJBDRN O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001434943026 1064364950 /nfs/dbraw/zinc/36/49/50/1064364950.db2.gz IHCVOOYLEUHLFX-HNNXBMFYSA-N 0 0 459.955 4.530 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1 ZINC001434982560 1064398927 /nfs/dbraw/zinc/39/89/27/1064398927.db2.gz ULKBEUSRXUIXHP-KRWDZBQOSA-N 0 0 453.520 4.636 20 5 JJBDRN CC(C)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001435000212 1064414574 /nfs/dbraw/zinc/41/45/74/1064414574.db2.gz BSEWFAUAAJJUTA-KRWDZBQOSA-N 0 0 458.458 4.534 20 5 JJBDRN COC1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2C(F)(F)F)CC1 ZINC001435016950 1064433565 /nfs/dbraw/zinc/43/35/65/1064433565.db2.gz HIDOQUWZMWAWRQ-UHFFFAOYSA-N 0 0 451.445 4.718 20 5 JJBDRN O=C(c1cscc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435032974 1064450193 /nfs/dbraw/zinc/45/01/93/1064450193.db2.gz XRFSGVACEXFNMY-UHFFFAOYSA-N 0 0 453.364 4.656 20 5 JJBDRN CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048527 1064465612 /nfs/dbraw/zinc/46/56/12/1064465612.db2.gz DLKQKKGDECWBJL-BTYIYWSLSA-N 0 0 458.946 4.632 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435068690 1064490557 /nfs/dbraw/zinc/49/05/57/1064490557.db2.gz SIXPZBXDRHTZLJ-FQEVSTJZSA-N 0 0 455.312 4.707 20 5 JJBDRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001435080818 1064502688 /nfs/dbraw/zinc/50/26/88/1064502688.db2.gz RKQXYYDWMONBAQ-ZDUSSCGKSA-N 0 0 451.483 4.843 20 5 JJBDRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001359838354 1064525412 /nfs/dbraw/zinc/52/54/12/1064525412.db2.gz ZIGKMVRGYRNUGU-ZSEKCTLFSA-N 0 0 457.930 4.520 20 5 JJBDRN COc1cc(F)c([C@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC001435119734 1064525965 /nfs/dbraw/zinc/52/59/65/1064525965.db2.gz IMRQQLPWSAPUKJ-XHSDSOJGSA-N 0 0 459.518 4.724 20 5 JJBDRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC001435120930 1064526927 /nfs/dbraw/zinc/52/69/27/1064526927.db2.gz SZODIGCVEPCZKD-ZDUSSCGKSA-N 0 0 458.683 4.604 20 5 JJBDRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC ZINC001435120517 1064527092 /nfs/dbraw/zinc/52/70/92/1064527092.db2.gz RMAMEZZGYHFUEC-MRXNPFEDSA-N 0 0 450.944 4.655 20 5 JJBDRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC ZINC001435122483 1064528723 /nfs/dbraw/zinc/52/87/23/1064528723.db2.gz CXTDMNFEVYDRKK-QGZVFWFLSA-N 0 0 450.491 4.990 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001435127294 1064533047 /nfs/dbraw/zinc/53/30/47/1064533047.db2.gz QIZHVSIGIWWBIT-OAHLLOKOSA-N 0 0 451.445 4.674 20 5 JJBDRN O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001359854904 1064542289 /nfs/dbraw/zinc/54/22/89/1064542289.db2.gz VJXCPFOMBIJKPA-UHFFFAOYSA-N 0 0 457.364 4.603 20 5 JJBDRN CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC001435147048 1064547524 /nfs/dbraw/zinc/54/75/24/1064547524.db2.gz CNGJGUGEAFOZHC-QGZVFWFLSA-N 0 0 453.486 4.833 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001435150425 1064550491 /nfs/dbraw/zinc/55/04/91/1064550491.db2.gz ZIZDYRSLMPMRMV-WWGRRREGSA-N 0 0 450.276 4.606 20 5 JJBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001435178488 1064571097 /nfs/dbraw/zinc/57/10/97/1064571097.db2.gz GHZFLCJJFMXLJU-HXUWFJFHSA-N 0 0 459.271 4.933 20 5 JJBDRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC001435180334 1064572103 /nfs/dbraw/zinc/57/21/03/1064572103.db2.gz JVKFGCLJOZCLIM-YTTGMZPUSA-N 0 0 454.504 4.535 20 5 JJBDRN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185882 1064575314 /nfs/dbraw/zinc/57/53/14/1064575314.db2.gz SURCOCNCAACIBE-CYBMUJFWSA-N 0 0 458.396 4.752 20 5 JJBDRN CCCCCN=c1c(Br)cccn1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001435208785 1064593009 /nfs/dbraw/zinc/59/30/09/1064593009.db2.gz UPOLFKQKJSEKLB-UHFFFAOYSA-N 0 0 458.715 4.925 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ncoc1-c1ccon1 ZINC001435230010 1064609826 /nfs/dbraw/zinc/60/98/26/1064609826.db2.gz HQQSEVUURNWCFQ-UHFFFAOYSA-N 0 0 458.789 4.753 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC001435231993 1064612586 /nfs/dbraw/zinc/61/25/86/1064612586.db2.gz YCZCJZQVOLSSNL-UHFFFAOYSA-N 0 0 458.421 4.530 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC001359903456 1064617998 /nfs/dbraw/zinc/61/79/98/1064617998.db2.gz ZKFRBCAXTBISBU-UHFFFAOYSA-N 0 0 450.289 4.886 20 5 JJBDRN COC(=O)c1cc(C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc([N+](=O)[O-])c1 ZINC001435238002 1064618063 /nfs/dbraw/zinc/61/80/63/1064618063.db2.gz WFTMRQRIWQTZCL-OAHLLOKOSA-N 0 0 453.520 4.955 20 5 JJBDRN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1OCC1CCCCC1 ZINC001435242510 1064621177 /nfs/dbraw/zinc/62/11/77/1064621177.db2.gz JZDVENPGJUMOCN-UHFFFAOYSA-N 0 0 453.539 4.951 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c2ccccc2Cl)cc1 ZINC001435242740 1064621210 /nfs/dbraw/zinc/62/12/10/1064621210.db2.gz WUPOTLBBVRYGHY-JOCHJYFZSA-N 0 0 457.889 4.981 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccccc2Cl)cc1 ZINC001435242919 1064622189 /nfs/dbraw/zinc/62/21/89/1064622189.db2.gz XBNQLTOVUVSZFV-QFIPXVFZSA-N 0 0 456.882 4.793 20 5 JJBDRN CC(C)(C)c1noc(COc2ccc(OC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)cc2)n1 ZINC001435252014 1064628405 /nfs/dbraw/zinc/62/84/05/1064628405.db2.gz GKQAJOXLWLUALF-UHFFFAOYSA-N 0 0 451.479 4.882 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435251502 1064628454 /nfs/dbraw/zinc/62/84/54/1064628454.db2.gz CMPOLNDHTVVEEL-GCJKJVERSA-N 0 0 457.596 4.506 20 5 JJBDRN Cc1cc(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001359912784 1064632148 /nfs/dbraw/zinc/63/21/48/1064632148.db2.gz LETZQMUONJBXNF-NRFANRHFSA-N 0 0 453.539 4.945 20 5 JJBDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001435256163 1064633253 /nfs/dbraw/zinc/63/32/53/1064633253.db2.gz SLJBBDHEJWFZHL-UONOGXRCSA-N 0 0 450.276 4.526 20 5 JJBDRN Cc1ccc(-n2c(NC(=O)c3cc([N+](=O)[O-])cn3C)nc3cc(Br)ccc32)cc1 ZINC001435283048 1064660658 /nfs/dbraw/zinc/66/06/58/1064660658.db2.gz RTIPOFMXVUJXKK-UHFFFAOYSA-N 0 0 454.284 4.595 20 5 JJBDRN COC(=O)c1cc(C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001435283750 1064661136 /nfs/dbraw/zinc/66/11/36/1064661136.db2.gz SMVQDVFUGQHFAC-AWEZNQCLSA-N 0 0 451.275 4.861 20 5 JJBDRN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC001435308871 1064682667 /nfs/dbraw/zinc/68/26/67/1064682667.db2.gz QYCGLLBIBYXPPQ-QHCPKHFHSA-N 0 0 450.583 4.740 20 5 JJBDRN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001359942390 1064686784 /nfs/dbraw/zinc/68/67/84/1064686784.db2.gz VLYIWJPWGLELGK-HSZRJFAPSA-N 0 0 450.539 4.924 20 5 JJBDRN CCCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC001435321056 1064695125 /nfs/dbraw/zinc/69/51/25/1064695125.db2.gz GYHGDCDNDRODQP-ZDUSSCGKSA-N 0 0 451.317 4.954 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001435323789 1064696381 /nfs/dbraw/zinc/69/63/81/1064696381.db2.gz OTPQLQCCFWXRGA-CJNIUHGTSA-N 0 0 455.942 4.828 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001435323803 1064696439 /nfs/dbraw/zinc/69/64/39/1064696439.db2.gz OTPQLQCCFWXRGA-WHEKDEKSSA-N 0 0 455.942 4.828 20 5 JJBDRN COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001435331510 1064703173 /nfs/dbraw/zinc/70/31/73/1064703173.db2.gz YMRYWZFKMPWJLR-QFIPXVFZSA-N 0 0 454.866 4.547 20 5 JJBDRN 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CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001435460385 1064769571 /nfs/dbraw/zinc/76/95/71/1064769571.db2.gz NCSMAYXMLPAZHY-UHFFFAOYSA-N 0 0 456.296 4.773 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccccc3O[C@H]3CCOC3)cc2[N+](=O)[O-])n1 ZINC001435494416 1064788674 /nfs/dbraw/zinc/78/86/74/1064788674.db2.gz ZGACICQHQZPDLR-HNNXBMFYSA-N 0 0 457.533 4.931 20 5 JJBDRN COc1ccccc1[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccco1 ZINC001435502725 1064792267 /nfs/dbraw/zinc/79/22/67/1064792267.db2.gz XZCBPWSMMQWKNP-LJQANCHMSA-N 0 0 450.369 4.657 20 5 JJBDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001435523909 1064806362 /nfs/dbraw/zinc/80/63/62/1064806362.db2.gz LWMYUOFKLUARGG-UGKGYDQZSA-N 0 0 451.567 4.599 20 5 JJBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001435528371 1064809705 /nfs/dbraw/zinc/80/97/05/1064809705.db2.gz YCOJETZMHBLAHB-LBPRGKRZSA-N 0 0 456.134 4.871 20 5 JJBDRN 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O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001360277166 1065118765 /nfs/dbraw/zinc/11/87/65/1065118765.db2.gz WKFOBWNWKIBKQX-UHFFFAOYSA-N 0 0 453.445 4.557 20 5 JJBDRN Cn1cc(C(=O)Oc2cc(F)c(Cl)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436021396 1065118932 /nfs/dbraw/zinc/11/89/32/1065118932.db2.gz IROLCDTWROHMHE-UHFFFAOYSA-N 0 0 454.639 4.770 20 5 JJBDRN CN(C(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])nc1 ZINC001436035473 1065131939 /nfs/dbraw/zinc/13/19/39/1065131939.db2.gz MWZWPDBXGBDKFY-UHFFFAOYSA-N 0 0 456.289 4.976 20 5 JJBDRN O=C(Oc1cc(Br)cc(F)c1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001436053307 1065146593 /nfs/dbraw/zinc/14/65/93/1065146593.db2.gz BMAVPEFYLYSHGB-UHFFFAOYSA-N 0 0 456.117 4.796 20 5 JJBDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001360317203 1065150600 /nfs/dbraw/zinc/15/06/00/1065150600.db2.gz LFFUSTITWLUPBW-GOSISDBHSA-N 0 0 454.527 4.793 20 5 JJBDRN CN(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nc1 ZINC001436059783 1065151196 /nfs/dbraw/zinc/15/11/96/1065151196.db2.gz FAKIYAYANWZSTG-UHFFFAOYSA-N 0 0 456.911 4.749 20 5 JJBDRN Cc1cc(OCC(=O)O[C@H]2CC(C)(C)Oc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC001436063427 1065154994 /nfs/dbraw/zinc/15/49/94/1065154994.db2.gz APCNZKADPALMED-SFHVURJKSA-N 0 0 450.285 4.890 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(I)c(C)c1 ZINC001436091544 1065174198 /nfs/dbraw/zinc/17/41/98/1065174198.db2.gz SHIINRGKKKDHFR-UHFFFAOYSA-N 0 0 456.305 4.550 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC001436093414 1065176371 /nfs/dbraw/zinc/17/63/71/1065176371.db2.gz VDDSKLNHEHJSKQ-UHFFFAOYSA-N 0 0 450.316 4.527 20 5 JJBDRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001436098107 1065178427 /nfs/dbraw/zinc/17/84/27/1065178427.db2.gz KTSKSIROLAQISL-UHFFFAOYSA-N 0 0 459.307 4.569 20 5 JJBDRN Cc1c(Br)ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1F ZINC001436101208 1065180564 /nfs/dbraw/zinc/18/05/64/1065180564.db2.gz IGTPQAFHRMWVKR-UHFFFAOYSA-N 0 0 451.170 4.998 20 5 JJBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC001436115470 1065189509 /nfs/dbraw/zinc/18/95/09/1065189509.db2.gz DXMKCRXWANIOEM-QFIPXVFZSA-N 0 0 455.898 4.567 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC001436116674 1065190979 /nfs/dbraw/zinc/19/09/79/1065190979.db2.gz IZNUCDVIWVAKQY-UHFFFAOYSA-N 0 0 450.520 4.789 20 5 JJBDRN Cc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)n1 ZINC001436116348 1065191100 /nfs/dbraw/zinc/19/11/00/1065191100.db2.gz RNVXXRVTHXZPES-UHFFFAOYSA-N 0 0 450.804 4.962 20 5 JJBDRN CCOc1cc(N2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001436122944 1065196976 /nfs/dbraw/zinc/19/69/76/1065196976.db2.gz MEHNXWSAWRETKG-UHFFFAOYSA-N 0 0 457.596 4.897 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCCN(c2ccccc2)C1 ZINC001436124596 1065198532 /nfs/dbraw/zinc/19/85/32/1065198532.db2.gz OYGHKUILSMZKOR-HNNXBMFYSA-N 0 0 453.486 4.739 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCCC(C)(C)C2)cn1 ZINC001360354048 1065201575 /nfs/dbraw/zinc/20/15/75/1065201575.db2.gz BYGDIKSNWQKVQH-UHFFFAOYSA-N 0 0 450.543 4.710 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(CC3CCCC3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001360356938 1065207088 /nfs/dbraw/zinc/20/70/88/1065207088.db2.gz AJHIBJAMTYDKSQ-UHFFFAOYSA-N 0 0 464.570 4.786 20 5 JJBDRN CCCOc1ccc(-c2nc(C(=O)Nc3cc(C(=O)OC)cc([N+](=O)[O-])c3C)cs2)cc1 ZINC001436140891 1065210882 /nfs/dbraw/zinc/21/08/82/1065210882.db2.gz KWZNFXDHOOIQNE-UHFFFAOYSA-N 0 0 455.492 4.854 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cccc(OCc2ccccc2)c1 ZINC001436196015 1065243498 /nfs/dbraw/zinc/24/34/98/1065243498.db2.gz VKVUPIODNURVJK-UHFFFAOYSA-N 0 0 455.308 4.795 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001436206156 1065251088 /nfs/dbraw/zinc/25/10/88/1065251088.db2.gz XLEPSFHDOZHYAI-FQEVSTJZSA-N 0 0 453.283 4.988 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001436206157 1065251156 /nfs/dbraw/zinc/25/11/56/1065251156.db2.gz XLEPSFHDOZHYAI-HXUWFJFHSA-N 0 0 453.283 4.988 20 5 JJBDRN COc1cc(C(=O)N[C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001360388213 1065252712 /nfs/dbraw/zinc/25/27/12/1065252712.db2.gz QWOFUHYTDHPLOZ-LJQANCHMSA-N 0 0 453.520 4.910 20 5 JJBDRN Cc1ccccc1-c1nc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cs1 ZINC001436221581 1065262416 /nfs/dbraw/zinc/26/24/16/1065262416.db2.gz HEFRRNUHXIPMFB-UHFFFAOYSA-N 0 0 458.337 4.988 20 5 JJBDRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001436231157 1065269248 /nfs/dbraw/zinc/26/92/48/1065269248.db2.gz ZXKZNXFONIXLCX-UHFFFAOYSA-N 0 0 453.520 4.843 20 5 JJBDRN Cc1cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc(NC(=O)OC(C)(C)C)c1 ZINC001436234600 1065270433 /nfs/dbraw/zinc/27/04/33/1065270433.db2.gz JFZQAILHVPRKPX-UHFFFAOYSA-N 0 0 451.882 4.902 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(c2ccc(Br)cc2)C2CC2)c1 ZINC001436302228 1065291920 /nfs/dbraw/zinc/29/19/20/1065291920.db2.gz MTHUAEYPSDNLRV-UHFFFAOYSA-N 0 0 455.312 4.720 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001436306583 1065292670 /nfs/dbraw/zinc/29/26/70/1065292670.db2.gz CNFWUJWFTATOBQ-IBGZPJMESA-N 0 0 452.511 4.759 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001436345021 1065300243 /nfs/dbraw/zinc/30/02/43/1065300243.db2.gz OSMROAIWTMVDKC-WIYYLYMNSA-N 0 0 457.502 4.505 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001436466946 1065325551 /nfs/dbraw/zinc/32/55/51/1065325551.db2.gz KDFCNAANJKEBBC-MRXNPFEDSA-N 0 0 455.761 4.946 20 5 JJBDRN Nc1c(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc2ccccc2c1[N+](=O)[O-] ZINC001436467932 1065326327 /nfs/dbraw/zinc/32/63/27/1065326327.db2.gz QCOFXAPWKDHPRP-UHFFFAOYSA-N 0 0 452.268 4.531 20 5 JJBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC001436511754 1065338917 /nfs/dbraw/zinc/33/89/17/1065338917.db2.gz IVTADSLYWXBEPI-LJQANCHMSA-N 0 0 459.289 4.634 20 5 JJBDRN O=C(N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1Cl ZINC001436521674 1065341510 /nfs/dbraw/zinc/34/15/10/1065341510.db2.gz UFOORWCFKRMOOW-SIKLNZKXSA-N 0 0 456.857 4.568 20 5 JJBDRN O=C(NCCOc1ccc(Cl)c(Cl)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001436538156 1065350621 /nfs/dbraw/zinc/35/06/21/1065350621.db2.gz LVLDNHCXTRSIQY-UHFFFAOYSA-N 0 0 453.200 4.652 20 5 JJBDRN Cc1cc(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1Br ZINC001436555146 1065359149 /nfs/dbraw/zinc/35/91/49/1065359149.db2.gz WGSFANUFLUSGLD-UHFFFAOYSA-N 0 0 450.289 4.633 20 5 JJBDRN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cc(N2CCCC2=O)ccc1Cl ZINC001436561473 1065363200 /nfs/dbraw/zinc/36/32/00/1065363200.db2.gz MGVICEWRZNKZJT-UHFFFAOYSA-N 0 0 457.895 4.856 20 5 JJBDRN CSc1cccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001436576057 1065375846 /nfs/dbraw/zinc/37/58/46/1065375846.db2.gz ZWJBALYNRYMXHF-UHFFFAOYSA-N 0 0 457.552 4.934 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ccc(C2CC2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001436582919 1065381709 /nfs/dbraw/zinc/38/17/09/1065381709.db2.gz IQEVHPCXSHXWSN-XMMPIXPASA-N 0 0 457.502 4.668 20 5 JJBDRN COC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001436596921 1065390808 /nfs/dbraw/zinc/39/08/08/1065390808.db2.gz NKBYWNHOHRWLIZ-GOSISDBHSA-N 0 0 457.280 4.545 20 5 JJBDRN Cc1c(C(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001360485510 1065405514 /nfs/dbraw/zinc/40/55/14/1065405514.db2.gz JGVCBFVNMQBDLW-UHFFFAOYSA-N 0 0 454.792 4.743 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001436628136 1065405603 /nfs/dbraw/zinc/40/56/03/1065405603.db2.gz FKBJKCSXHNDLIF-MAUKXSAKSA-N 0 0 451.951 4.890 20 5 JJBDRN O=C(Cc1ccc(Br)c(F)c1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436781205 1065439816 /nfs/dbraw/zinc/43/98/16/1065439816.db2.gz VQXQGMNNKKZMLN-HNNXBMFYSA-N 0 0 453.161 4.598 20 5 JJBDRN COc1ccc(CSCC(=O)NCc2cc(Cl)cc(Br)c2)cc1[N+](=O)[O-] ZINC001436804066 1065442510 /nfs/dbraw/zinc/44/25/10/1065442510.db2.gz IOCGKBJSIBPZBD-UHFFFAOYSA-N 0 0 459.749 4.569 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001436959189 1065481152 /nfs/dbraw/zinc/48/11/52/1065481152.db2.gz LQNQPQHXKOKZFM-FOUBCARRSA-N 0 0 459.587 4.660 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001360529578 1065508860 /nfs/dbraw/zinc/50/88/60/1065508860.db2.gz YUSIZKVJTUHVPV-UHFFFAOYSA-N 0 0 454.335 4.772 20 5 JJBDRN C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437144282 1065513958 /nfs/dbraw/zinc/51/39/58/1065513958.db2.gz OMKYHVWCOPUBMC-GARJFASQSA-N 0 0 461.378 4.541 20 5 JJBDRN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001360537261 1065521347 /nfs/dbraw/zinc/52/13/47/1065521347.db2.gz ADRFJRZQKXHUDA-KPZWWZAWSA-N 0 0 455.342 4.658 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001437227809 1065522500 /nfs/dbraw/zinc/52/25/00/1065522500.db2.gz UXTSDWPSWYAXKJ-IRLDBZIGSA-N 0 0 454.548 4.625 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001360552660 1065544146 /nfs/dbraw/zinc/54/41/46/1065544146.db2.gz YKUHHZOUHLKLHF-SFHVURJKSA-N 0 0 459.955 4.818 20 5 JJBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C1(c2ccc(Br)cc2)CCOCC1 ZINC001437525131 1065566668 /nfs/dbraw/zinc/56/66/68/1065566668.db2.gz HMBAJCNRJWXSRD-UHFFFAOYSA-N 0 0 456.296 4.592 20 5 JJBDRN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001437526912 1065567755 /nfs/dbraw/zinc/56/77/55/1065567755.db2.gz YIPZMNNBXPWNSH-SFHVURJKSA-N 0 0 459.289 4.693 20 5 JJBDRN CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001437553378 1065573042 /nfs/dbraw/zinc/57/30/42/1065573042.db2.gz CDPMFIRDANFBJP-VXKWHMMOSA-N 0 0 469.538 4.517 20 5 JJBDRN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001437579143 1065580665 /nfs/dbraw/zinc/58/06/65/1065580665.db2.gz CFIMWLZFGCWTFZ-KRWDZBQOSA-N 0 0 450.276 4.794 20 5 JJBDRN O=C(Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1)c1csc([N+](=O)[O-])c1 ZINC001437720053 1065595624 /nfs/dbraw/zinc/59/56/24/1065595624.db2.gz YDZXYSJOGYHUSX-UHFFFAOYSA-N 0 0 450.299 4.671 20 5 JJBDRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001437743199 1065598330 /nfs/dbraw/zinc/59/83/30/1065598330.db2.gz JPLDZTKCIIHJBC-GOSISDBHSA-N 0 0 456.392 4.667 20 5 JJBDRN CSc1ccc(C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] ZINC001437771434 1065603793 /nfs/dbraw/zinc/60/37/93/1065603793.db2.gz SMKWNLIZUMLTSZ-UHFFFAOYSA-N 0 0 457.552 4.934 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C ZINC001437836231 1065616714 /nfs/dbraw/zinc/61/67/14/1065616714.db2.gz IQTAXZYHKIPSLN-KPZWWZAWSA-N 0 0 453.720 4.921 20 5 JJBDRN Cc1c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(Br)cc1 ZINC001437871452 1065622762 /nfs/dbraw/zinc/62/27/62/1065622762.db2.gz MGVFNUIFGPFYDZ-UHFFFAOYSA-N 0 0 455.312 4.835 20 5 JJBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001437960744 1065636309 /nfs/dbraw/zinc/63/63/09/1065636309.db2.gz FOGLJNVXRAXEFV-MRXNPFEDSA-N 0 0 450.358 4.553 20 5 JJBDRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001437986317 1065641105 /nfs/dbraw/zinc/64/11/05/1065641105.db2.gz KDGGAWBVIHJGQW-DIFFPNOSSA-N 0 0 457.335 4.755 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001545912733 1065659271 /nfs/dbraw/zinc/65/92/71/1065659271.db2.gz FZKXNYPLPAQYSS-UHFFFAOYSA-N 0 0 451.907 4.743 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001438111614 1065673207 /nfs/dbraw/zinc/67/32/07/1065673207.db2.gz IADBTDICJAPICX-UHFFFAOYSA-N 0 0 453.539 4.716 20 5 JJBDRN CC(F)(F)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001360630696 1065679184 /nfs/dbraw/zinc/67/91/84/1065679184.db2.gz VEAHNKNRRFVGNY-UHFFFAOYSA-N 0 0 495.918 4.502 20 5 JJBDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001438149705 1065680589 /nfs/dbraw/zinc/68/05/89/1065680589.db2.gz YPDRFMXKJBJTQP-PSLIRLAXSA-N 0 0 453.339 4.921 20 5 JJBDRN CCCc1ccc(N2C[C@H](C(=O)O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)CC2=O)cc1 ZINC001438156348 1065683399 /nfs/dbraw/zinc/68/33/99/1065683399.db2.gz ZWDWEMIWMHCGFI-UZLBHIALSA-N 0 0 450.413 4.747 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC001438202611 1065694410 /nfs/dbraw/zinc/69/44/10/1065694410.db2.gz AKWRCGJMBNQMAG-DEOSSOPVSA-N 0 0 459.546 4.755 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(C)(C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC001438202612 1065694516 /nfs/dbraw/zinc/69/45/16/1065694516.db2.gz AKWRCGJMBNQMAG-XMMPIXPASA-N 0 0 459.546 4.755 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Br)cc1F ZINC001438212305 1065697772 /nfs/dbraw/zinc/69/77/72/1065697772.db2.gz KPVKYHCLKMDHDL-UHFFFAOYSA-N 0 0 457.321 4.507 20 5 JJBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360638004 1065701523 /nfs/dbraw/zinc/70/15/23/1065701523.db2.gz QKHGAHJRYGLIBJ-UHFFFAOYSA-N 0 0 459.978 4.530 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C1 ZINC001360638820 1065704630 /nfs/dbraw/zinc/70/46/30/1065704630.db2.gz JGVOHUSZNHDYAK-PKOBYXMFSA-N 0 0 484.601 4.783 20 5 JJBDRN Cc1cc(Br)c2c(c1)CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC001438363738 1065717046 /nfs/dbraw/zinc/71/70/46/1065717046.db2.gz MFPHTPXYCUZPPD-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN CN(C(=O)CSc1ccccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC001360683821 1065735829 /nfs/dbraw/zinc/73/58/29/1065735829.db2.gz WRRFHEHKNFATTI-UHFFFAOYSA-N 0 0 453.564 4.681 20 5 JJBDRN COc1cc(C(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC001438626957 1065737530 /nfs/dbraw/zinc/73/75/30/1065737530.db2.gz HGMFDNYBLQZLBU-TZMCWYRMSA-N 0 0 458.421 4.766 20 5 JJBDRN CC[C@H](C)Oc1cccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)n1 ZINC001438692954 1065744581 /nfs/dbraw/zinc/74/45/81/1065744581.db2.gz ULRVBMXRHKCLPH-WNSKOXEYSA-N 0 0 458.515 4.546 20 5 JJBDRN COc1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001438785584 1065752084 /nfs/dbraw/zinc/75/20/84/1065752084.db2.gz AMCLFWROQHOAQH-UHFFFAOYSA-N 0 0 455.264 4.849 20 5 JJBDRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])c2)cc1 ZINC001438801707 1065752979 /nfs/dbraw/zinc/75/29/79/1065752979.db2.gz SKFNPEOKLCUXKG-KRWDZBQOSA-N 0 0 454.504 4.646 20 5 JJBDRN O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001438905240 1065764383 /nfs/dbraw/zinc/76/43/83/1065764383.db2.gz DNUBUBWEAGSCNP-UHFFFAOYSA-N 0 0 455.308 4.643 20 5 JJBDRN COCc1c(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])sc2cccc(F)c21 ZINC001438904625 1065764584 /nfs/dbraw/zinc/76/45/84/1065764584.db2.gz CVZHBOQXMIUKMF-UHFFFAOYSA-N 0 0 453.289 4.788 20 5 JJBDRN O=C(NCc1cc2cc(Br)ccc2o1)c1cccc([N+](=O)[O-])c1Br ZINC001438967777 1065772466 /nfs/dbraw/zinc/77/24/66/1065772466.db2.gz QJXDKLMXKKQUQI-UHFFFAOYSA-N 0 0 454.074 4.796 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnccc1-c1ccc(N(C)C)cc1 ZINC001439246919 1065803761 /nfs/dbraw/zinc/80/37/61/1065803761.db2.gz XJFOWCRSHKYBAO-UHFFFAOYSA-N 0 0 452.536 4.714 20 5 JJBDRN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001439278654 1065810503 /nfs/dbraw/zinc/81/05/03/1065810503.db2.gz OTJIXZSLEOUCIR-UHFFFAOYSA-N 0 0 450.442 4.700 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc([C@H]2CCCC(=O)N2)c1 ZINC001439327640 1065815143 /nfs/dbraw/zinc/81/51/43/1065815143.db2.gz ZVPLOVCWKJJKDU-OAHLLOKOSA-N 0 0 453.442 4.686 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1cccc(SC(F)(F)F)c1 ZINC001439376603 1065822286 /nfs/dbraw/zinc/82/22/86/1065822286.db2.gz XLZPCBZSMNIMQN-ZDUSSCGKSA-N 0 0 450.442 4.943 20 5 JJBDRN CCc1ccc(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC001439582103 1065843300 /nfs/dbraw/zinc/84/33/00/1065843300.db2.gz FKOPFTWQNHOIBZ-QGZVFWFLSA-N 0 0 453.539 4.891 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001439586565 1065844869 /nfs/dbraw/zinc/84/48/69/1065844869.db2.gz ZBZDTMFGRXEISC-QGZVFWFLSA-N 0 0 454.548 4.769 20 5 JJBDRN CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001360776086 1065879950 /nfs/dbraw/zinc/87/99/50/1065879950.db2.gz IVFWHOANPSICHZ-UHFFFAOYSA-N 0 0 452.898 4.781 20 5 JJBDRN O=C(c1ccccc1Cl)C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001439996595 1065900499 /nfs/dbraw/zinc/90/04/99/1065900499.db2.gz CWWXYEPYWILQQD-UHFFFAOYSA-N 0 0 451.704 4.746 20 5 JJBDRN O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440020336 1065903195 /nfs/dbraw/zinc/90/31/95/1065903195.db2.gz MEJLYVRTOQIBGD-CVEARBPZSA-N 0 0 452.454 4.920 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793617 1065908070 /nfs/dbraw/zinc/90/80/70/1065908070.db2.gz MEYGKRFSZMSPIW-QZTJIDSGSA-N 0 0 459.930 4.900 20 5 JJBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(C)(C)C2)C1 ZINC001360801451 1065912186 /nfs/dbraw/zinc/91/21/86/1065912186.db2.gz DUNJBAUBGDUJNG-SFHVURJKSA-N 0 0 482.629 4.668 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)OC(C)(C)C)c1C ZINC001440138790 1065914762 /nfs/dbraw/zinc/91/47/62/1065914762.db2.gz CXOLRWHGBVMEAG-UHFFFAOYSA-N 0 0 456.524 4.881 20 5 JJBDRN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)OCc1ccc([N+](=O)[O-])cc1Br ZINC001360804580 1065915788 /nfs/dbraw/zinc/91/57/88/1065915788.db2.gz VJLYDJSEVSNIDC-UHFFFAOYSA-N 0 0 451.660 4.952 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)NCc3cc4ccccc4[nH]c3=O)cc2[N+](=O)[O-])n1 ZINC001440219260 1065924695 /nfs/dbraw/zinc/92/46/95/1065924695.db2.gz AAHNWDLUOFUDRY-UHFFFAOYSA-N 0 0 452.517 4.695 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440335561 1065931205 /nfs/dbraw/zinc/93/12/05/1065931205.db2.gz CXUDDUZXJZHHOP-UHFFFAOYSA-N 0 0 456.524 4.500 20 5 JJBDRN O=C(CCSc1ccnc2cc(Cl)ccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440345526 1065931943 /nfs/dbraw/zinc/93/19/43/1065931943.db2.gz XGGIJYYGJSBRDJ-UHFFFAOYSA-N 0 0 456.955 4.627 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2ccc(Sc3ccccc3Cl)nn2)c([N+](=O)[O-])c1 ZINC001360843330 1065951927 /nfs/dbraw/zinc/95/19/27/1065951927.db2.gz OLPACATVLUVJQR-UHFFFAOYSA-N 0 0 457.943 4.730 20 5 JJBDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])ccc2C)c1 ZINC001440577476 1065951970 /nfs/dbraw/zinc/95/19/70/1065951970.db2.gz LWSSXIRSRPJOJA-UHFFFAOYSA-N 0 0 457.483 4.712 20 5 JJBDRN C[C@@]12CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C[C@@H]1C2(Cl)Cl ZINC001360849396 1065959523 /nfs/dbraw/zinc/95/95/23/1065959523.db2.gz SIRNYDBDFMSTMM-KBXCAEBGSA-N 0 0 476.311 4.503 20 5 JJBDRN O=C(Nc1ccc(OC(=O)c2cccc(Oc3cnccn3)c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001440667956 1065961255 /nfs/dbraw/zinc/96/12/55/1065961255.db2.gz RGJLPXYMOSTZDH-UHFFFAOYSA-N 0 0 456.414 4.649 20 5 JJBDRN Cc1cc(C=O)c(O)c(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC001440668032 1065961292 /nfs/dbraw/zinc/96/12/92/1065961292.db2.gz SZXDKRJFKJWUHW-UHFFFAOYSA-N 0 0 454.822 4.546 20 5 JJBDRN O=C(C[C@H]1CSc2ccccc2O1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001440668270 1065961327 /nfs/dbraw/zinc/96/13/27/1065961327.db2.gz WCFVXZDFVPDHKS-IBGZPJMESA-N 0 0 450.472 4.696 20 5 JJBDRN COc1cccc(O[C@@H](C)CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001360855105 1065974381 /nfs/dbraw/zinc/97/43/81/1065974381.db2.gz LBJRRUPWGGULLT-AWEZNQCLSA-N 0 0 459.549 4.717 20 5 JJBDRN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001360856244 1065974942 /nfs/dbraw/zinc/97/49/42/1065974942.db2.gz OJHZERJNEDZIMU-RBUKOAKNSA-N 0 0 481.306 4.747 20 5 JJBDRN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nc2ccccc2n1C(F)F ZINC001440772008 1065978290 /nfs/dbraw/zinc/97/82/90/1065978290.db2.gz PSWNZNUODGWEHK-QMMMGPOBSA-N 0 0 457.206 4.732 20 5 JJBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001441106374 1066007998 /nfs/dbraw/zinc/00/79/98/1066007998.db2.gz DFEDGURSBYIODN-BJKOFHAPSA-N 0 0 480.948 4.952 20 5 JJBDRN Cn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC001441241690 1066018967 /nfs/dbraw/zinc/01/89/67/1066018967.db2.gz VIALZZYAYNYHDN-CQSZACIVSA-N 0 0 457.943 4.548 20 5 JJBDRN O=C(Nc1ccc(I)cc1Cl)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001441327978 1066029075 /nfs/dbraw/zinc/02/90/75/1066029075.db2.gz NUBFFXLYNRRVCS-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC001360880505 1066033174 /nfs/dbraw/zinc/03/31/74/1066033174.db2.gz DJXCEVUUIIPXMA-MOPGFXCFSA-N 0 0 451.552 4.591 20 5 JJBDRN CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c1 ZINC001441639321 1066056785 /nfs/dbraw/zinc/05/67/85/1066056785.db2.gz FWHAZLLXGVLZDJ-UHFFFAOYSA-N 0 0 458.316 4.560 20 5 JJBDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441735612 1066065189 /nfs/dbraw/zinc/06/51/89/1066065189.db2.gz JCMZTPDLGMTKLQ-FGCOXFRFSA-N 0 0 450.535 4.889 20 5 JJBDRN COc1cccc2c(C(=O)N3CCCC[C@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)coc21 ZINC001441741788 1066066586 /nfs/dbraw/zinc/06/65/86/1066066586.db2.gz WQYYYHNJDXNVQA-KRWDZBQOSA-N 0 0 452.463 4.591 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1snc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001441742368 1066066933 /nfs/dbraw/zinc/06/69/33/1066066933.db2.gz YVLJYSFHYXSZPP-GFCCVEGCSA-N 0 0 458.323 4.600 20 5 JJBDRN C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC001360915680 1066071438 /nfs/dbraw/zinc/07/14/38/1066071438.db2.gz OBKHPXMXPXKPCD-BBWFWOEESA-N 0 0 455.559 4.999 20 5 JJBDRN C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC001360915683 1066071759 /nfs/dbraw/zinc/07/17/59/1066071759.db2.gz OBKHPXMXPXKPCD-ZACQAIPSSA-N 0 0 455.559 4.999 20 5 JJBDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)C2)cc1 ZINC001360925494 1066081428 /nfs/dbraw/zinc/08/14/28/1066081428.db2.gz HWIJXZDMHJOXFM-HSZRJFAPSA-N 0 0 457.530 4.989 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001442016460 1066086144 /nfs/dbraw/zinc/08/61/44/1066086144.db2.gz GYXOUYAPEBASPD-NSHDSACASA-N 0 0 453.362 4.606 20 5 JJBDRN COc1ccc(C2(CNC(=O)CSCc3ccc(OC)c([N+](=O)[O-])c3)CCCCC2)cc1 ZINC001442128623 1066097405 /nfs/dbraw/zinc/09/74/05/1066097405.db2.gz GSBJFSKOSRHKEV-UHFFFAOYSA-N 0 0 458.580 4.864 20 5 JJBDRN COC(=O)c1ccc(Br)c(C)c1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001360942187 1066098197 /nfs/dbraw/zinc/09/81/97/1066098197.db2.gz IWGZLUASEAAANW-UHFFFAOYSA-N 0 0 455.692 4.677 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCSCC4)cc3)cc2[N+](=O)[O-])C1 ZINC001360953856 1066110381 /nfs/dbraw/zinc/11/03/81/1066110381.db2.gz JTPGSJZYVJTCJF-QZTJIDSGSA-N 0 0 454.596 4.883 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360959753 1066117687 /nfs/dbraw/zinc/11/76/87/1066117687.db2.gz ORHJVNVTEXZTAV-HKUYNNGSSA-N 0 0 496.568 4.543 20 5 JJBDRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc(I)c([N+](=O)[O-])c1 ZINC001360979985 1066138082 /nfs/dbraw/zinc/13/80/82/1066138082.db2.gz NVTVTQCZEPRQTQ-UHFFFAOYSA-N 0 0 450.154 4.557 20 5 JJBDRN CCC(CC)c1cc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)on1 ZINC001360981881 1066140524 /nfs/dbraw/zinc/14/05/24/1066140524.db2.gz XQEKWLNTAXWHSD-UHFFFAOYSA-N 0 0 452.298 4.909 20 5 JJBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC001442666408 1066149372 /nfs/dbraw/zinc/14/93/72/1066149372.db2.gz KVLPRMOJZDYHRV-INIZCTEOSA-N 0 0 459.218 4.590 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC001360987713 1066158762 /nfs/dbraw/zinc/15/87/62/1066158762.db2.gz ILOXIZSDNMFQSD-LLVKDONJSA-N 0 0 453.808 4.647 20 5 JJBDRN CC[C@]1(C)CC[C@H](Cn2c(CC3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC001546056060 1066222180 /nfs/dbraw/zinc/22/21/80/1066222180.db2.gz ACMWHULCMCLOEX-RCZVLFRGSA-N 0 0 455.603 4.946 20 5 JJBDRN Cc1ccc(NC(=O)C2(CNC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CCCC2)cc1C ZINC001361026662 1066226753 /nfs/dbraw/zinc/22/67/53/1066226753.db2.gz JBACIWIWVRISLR-UHFFFAOYSA-N 0 0 450.539 4.715 20 5 JJBDRN COc1ccc(Sc2ccc(NC(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC001443093302 1066266216 /nfs/dbraw/zinc/26/62/16/1066266216.db2.gz SCSUXHOXKBENTC-UHFFFAOYSA-N 0 0 452.492 4.515 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@](C)(CO)Cc3ccc(F)cc3)cc2[N+](=O)[O-])cc1 ZINC001454314337 1066269466 /nfs/dbraw/zinc/26/94/66/1066269466.db2.gz XXPCCGLANBGGHL-DEOSSOPVSA-N 0 0 454.523 4.917 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)c1 ZINC001443257702 1066284886 /nfs/dbraw/zinc/28/48/86/1066284886.db2.gz CNXSXXPSEOZHCP-UHFFFAOYSA-N 0 0 455.518 4.694 20 5 JJBDRN O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001443259651 1066285663 /nfs/dbraw/zinc/28/56/63/1066285663.db2.gz BIVXLOYRYWTXMQ-UHFFFAOYSA-N 0 0 450.442 4.622 20 5 JJBDRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001443292975 1066290485 /nfs/dbraw/zinc/29/04/85/1066290485.db2.gz GLYKCKDRWYALNY-UHFFFAOYSA-N 0 0 453.854 4.543 20 5 JJBDRN CCOC(=O)c1csc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)n1 ZINC001361055969 1066295023 /nfs/dbraw/zinc/29/50/23/1066295023.db2.gz XMXJODJAVJZUET-AWNIVKPZSA-N 0 0 453.476 4.615 20 5 JJBDRN CCON(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C)c1cccc(Br)c1 ZINC001454543871 1066298577 /nfs/dbraw/zinc/29/85/77/1066298577.db2.gz TWAIGUFNKNKEGP-AWEZNQCLSA-N 0 0 459.300 4.698 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC1(c2ccccc2Cl)CCOCC1 ZINC001443380666 1066303575 /nfs/dbraw/zinc/30/35/75/1066303575.db2.gz ABYVDNZYEOKYMG-UHFFFAOYSA-N 0 0 453.322 4.535 20 5 JJBDRN COc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CCN2)cc1 ZINC001454585877 1066304773 /nfs/dbraw/zinc/30/47/73/1066304773.db2.gz NEHSDQZVVSQTEW-QFIPXVFZSA-N 0 0 455.580 4.672 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC001454592171 1066306386 /nfs/dbraw/zinc/30/63/86/1066306386.db2.gz PBZMDCODFRTNSK-XLIONFOSSA-N 0 0 455.561 4.849 20 5 JJBDRN CC[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546063841 1066310232 /nfs/dbraw/zinc/31/02/32/1066310232.db2.gz DPAPANSSMMXFHR-NRFANRHFSA-N 0 0 475.475 4.531 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1 ZINC001443504237 1066320223 /nfs/dbraw/zinc/32/02/23/1066320223.db2.gz QLCLCWSUYCXGOY-UHFFFAOYSA-N 0 0 455.414 4.862 20 5 JJBDRN CC(C)(NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2o1 ZINC001454692609 1066320360 /nfs/dbraw/zinc/32/03/60/1066320360.db2.gz WWRZBKKZCLDXCV-UHFFFAOYSA-N 0 0 452.692 4.746 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)c1cncc(F)c1 ZINC001361085239 1066324115 /nfs/dbraw/zinc/32/41/15/1066324115.db2.gz KPLDBANYMFRZDM-UHFFFAOYSA-N 0 0 450.209 4.907 20 5 JJBDRN COc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC001443577613 1066330372 /nfs/dbraw/zinc/33/03/72/1066330372.db2.gz ISEOYWOKNAXBBR-LJQANCHMSA-N 0 0 457.527 4.723 20 5 JJBDRN O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001455057595 1066356280 /nfs/dbraw/zinc/35/62/80/1066356280.db2.gz OKKQBKOYKABDPX-UHFFFAOYSA-N 0 0 453.808 4.532 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455105887 1066361881 /nfs/dbraw/zinc/36/18/81/1066361881.db2.gz CZYARPJTOUBQLH-LJQANCHMSA-N 0 0 454.527 4.858 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC001455117313 1066363692 /nfs/dbraw/zinc/36/36/92/1066363692.db2.gz ZMFOWYVNZUVVDU-GFCCVEGCSA-N 0 0 451.342 4.591 20 5 JJBDRN O=C(NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001455257743 1066376557 /nfs/dbraw/zinc/37/65/57/1066376557.db2.gz MIKHCFCOTOUXSB-UHFFFAOYSA-N 0 0 452.225 4.864 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001443878420 1066380433 /nfs/dbraw/zinc/38/04/33/1066380433.db2.gz XFGXUAUEDDMUHK-QGZVFWFLSA-N 0 0 452.511 4.690 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443890383 1066381779 /nfs/dbraw/zinc/38/17/79/1066381779.db2.gz OXLHGKJRVIHXIU-KRWDZBQOSA-N 0 0 454.329 4.754 20 5 JJBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(-c2ccc(Br)cc2)no1 ZINC001455302910 1066382127 /nfs/dbraw/zinc/38/21/27/1066382127.db2.gz MSJLJOFASVWNRV-UHFFFAOYSA-N 0 0 454.240 4.655 20 5 JJBDRN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001443936244 1066387211 /nfs/dbraw/zinc/38/72/11/1066387211.db2.gz QEBXPAHRULMJNM-UHFFFAOYSA-N 0 0 453.564 4.657 20 5 JJBDRN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001443990786 1066391245 /nfs/dbraw/zinc/39/12/45/1066391245.db2.gz QKPHNGPSVCBUBV-UHFFFAOYSA-N 0 0 452.433 4.584 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H](C[S@@](C)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001444003145 1066393312 /nfs/dbraw/zinc/39/33/12/1066393312.db2.gz TVDSIQIEYKQCLG-PLTNMMHCSA-N 0 0 454.573 4.904 20 5 JJBDRN Cc1cc(F)cc(C(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001455587250 1066413799 /nfs/dbraw/zinc/41/37/99/1066413799.db2.gz WCIGKLIOONOCLA-UHFFFAOYSA-N 0 0 451.539 4.980 20 5 JJBDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC001444146880 1066417905 /nfs/dbraw/zinc/41/79/05/1066417905.db2.gz MQIWLLAKTLUSQG-KRWDZBQOSA-N 0 0 455.580 4.761 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCSCCOc1cccc(Br)c1 ZINC001444151554 1066419311 /nfs/dbraw/zinc/41/93/11/1066419311.db2.gz FZFNOUHSYNFDRA-UHFFFAOYSA-N 0 0 453.358 4.516 20 5 JJBDRN CCOC(=O)[C@@]1(F)CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H]1CC ZINC001455651061 1066419440 /nfs/dbraw/zinc/41/94/40/1066419440.db2.gz PCVMBDUZGGYIID-OYHNWAKOSA-N 0 0 464.877 4.794 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001455648838 1066419635 /nfs/dbraw/zinc/41/96/35/1066419635.db2.gz MWYYHHXUEONRAQ-UHFFFAOYSA-N 0 0 457.836 4.665 20 5 JJBDRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001444179691 1066426983 /nfs/dbraw/zinc/42/69/83/1066426983.db2.gz SBANZRPQUNMEGD-GOSISDBHSA-N 0 0 451.292 4.711 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001444181300 1066427019 /nfs/dbraw/zinc/42/70/19/1066427019.db2.gz VKDLMZPHWJYHKV-AWEZNQCLSA-N 0 0 457.577 4.911 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1(C)C ZINC001455800042 1066433858 /nfs/dbraw/zinc/43/38/58/1066433858.db2.gz HGODYCYTTQSNDL-HXUWFJFHSA-N 0 0 454.527 4.714 20 5 JJBDRN Cc1cc(C(=O)NCC(=O)Nc2ccccc2OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC001444305829 1066446136 /nfs/dbraw/zinc/44/61/36/1066446136.db2.gz YDPQZJNKNIXIFX-UHFFFAOYSA-N 0 0 453.882 4.504 20 5 JJBDRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161703 1066467844 /nfs/dbraw/zinc/46/78/44/1066467844.db2.gz VVQSQMIRPIPZAQ-UNMCSNQZSA-N 0 0 459.340 4.705 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccnn3Cc3ccccc3F)cc2[N+](=O)[O-])C1 ZINC001456011291 1066471795 /nfs/dbraw/zinc/47/17/95/1066471795.db2.gz SCJZZBYHRPQOOU-IRXDYDNUSA-N 0 0 451.502 4.713 20 5 JJBDRN COC(=O)CC[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001456022370 1066479155 /nfs/dbraw/zinc/47/91/55/1066479155.db2.gz ZNSFVPMTZURSLT-LVCYWYKZSA-N 0 0 453.539 4.501 20 5 JJBDRN CCOc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC001456092397 1066508104 /nfs/dbraw/zinc/50/81/04/1066508104.db2.gz SVNLAYQMVXMAAM-UHFFFAOYSA-N 0 0 450.447 4.578 20 5 JJBDRN CCc1nc(COc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)no1 ZINC001361185981 1066509649 /nfs/dbraw/zinc/50/96/49/1066509649.db2.gz OVRKHAGSWHJSCP-UHFFFAOYSA-N 0 0 458.474 4.966 20 5 JJBDRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001361189873 1066515056 /nfs/dbraw/zinc/51/50/56/1066515056.db2.gz PIZLRGUCHBOOIV-QFIPXVFZSA-N 0 0 458.518 4.763 20 5 JJBDRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001444967648 1066524531 /nfs/dbraw/zinc/52/45/31/1066524531.db2.gz FRGMWPAYYVTOQB-UGSOOPFHSA-N 0 0 450.308 4.542 20 5 JJBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(Cl)c(Cl)c1Cl ZINC001456181693 1066531531 /nfs/dbraw/zinc/53/15/31/1066531531.db2.gz ADIFBWGOQXDGAS-NSHDSACASA-N 0 0 458.729 4.883 20 5 JJBDRN CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456196304 1066534689 /nfs/dbraw/zinc/53/46/89/1066534689.db2.gz QFBXLSCYUZOVLE-UUOWRZLLSA-N 0 0 451.567 4.529 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001456280380 1066554289 /nfs/dbraw/zinc/55/42/89/1066554289.db2.gz QEGDBOOUKNSXGM-MRXNPFEDSA-N 0 0 459.465 4.817 20 5 JJBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])cc2I)o1 ZINC001361235687 1066575748 /nfs/dbraw/zinc/57/57/48/1066575748.db2.gz YATIERVMPLNWMT-MEDUHNTESA-N 0 0 454.264 4.714 20 5 JJBDRN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 ZINC001361236474 1066577311 /nfs/dbraw/zinc/57/73/11/1066577311.db2.gz COXCVDIIVGCRJA-HLIPFELVSA-N 0 0 455.559 4.951 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCC(Cc4ccccc4F)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC001445517707 1066580304 /nfs/dbraw/zinc/58/03/04/1066580304.db2.gz YTRFMEXBNDYZCI-UHFFFAOYSA-N 0 0 450.514 4.690 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC001456440182 1066586851 /nfs/dbraw/zinc/58/68/51/1066586851.db2.gz KIRNHKVJBMSSCY-QLCIJSRNSA-N 0 0 458.923 4.962 20 5 JJBDRN COc1ccc([C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC001361248615 1066592267 /nfs/dbraw/zinc/59/22/67/1066592267.db2.gz YDBIOOIPVADZRX-HSZRJFAPSA-N 0 0 458.873 4.853 20 5 JJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001456486996 1066596936 /nfs/dbraw/zinc/59/69/36/1066596936.db2.gz LGCJAHVEOZTXPO-LBPRGKRZSA-N 0 0 452.454 4.614 20 5 JJBDRN Cc1ccc(C[C@@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC001456545059 1066621284 /nfs/dbraw/zinc/62/12/84/1066621284.db2.gz NBPODRGKERRURT-CYBMUJFWSA-N 0 0 455.502 4.947 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC(=O)c3cc4c(s3)CCCC4)cc2[N+](=O)[O-])C1 ZINC001456564812 1066626507 /nfs/dbraw/zinc/62/65/07/1066626507.db2.gz MQPOQYQZORBATQ-HZPDHXFCSA-N 0 0 455.580 4.630 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001456583981 1066632829 /nfs/dbraw/zinc/63/28/29/1066632829.db2.gz FRDKGLQBEDDVNI-VECWOOENSA-N 0 0 451.523 4.646 20 5 JJBDRN CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001456604263 1066640037 /nfs/dbraw/zinc/64/00/37/1066640037.db2.gz XLCIAAPVSXNRQC-KRWDZBQOSA-N 0 0 454.527 4.715 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001456604981 1066640877 /nfs/dbraw/zinc/64/08/77/1066640877.db2.gz WIIBVGBLCFGFKZ-MSOLQXFVSA-N 0 0 459.930 4.900 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 ZINC001456622786 1066648420 /nfs/dbraw/zinc/64/84/20/1066648420.db2.gz JCWSHPFGAKKRKJ-XMMPIXPASA-N 0 0 459.502 4.589 20 5 JJBDRN O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001446030448 1066648772 /nfs/dbraw/zinc/64/87/72/1066648772.db2.gz GRMJPVIKIPNGJC-RUZDIDTESA-N 0 0 456.502 4.758 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001456630395 1066651422 /nfs/dbraw/zinc/65/14/22/1066651422.db2.gz RSOSOANLNRHCFJ-SJLPKXTDSA-N 0 0 471.579 4.979 20 5 JJBDRN CCC[C@@H](C)N(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001456638383 1066654184 /nfs/dbraw/zinc/65/41/84/1066654184.db2.gz IZORASFQJYMYOG-CYBMUJFWSA-N 0 0 451.570 4.850 20 5 JJBDRN Cn1cnc2cccc(C(=O)NCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c3)c21 ZINC001456644065 1066656087 /nfs/dbraw/zinc/65/60/87/1066656087.db2.gz VAMMVZQUAFVJNP-UHFFFAOYSA-N 0 0 454.845 4.996 20 5 JJBDRN O=C(Nc1ccccc1C(=O)N1CCc2c(F)cccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001446267932 1066681879 /nfs/dbraw/zinc/68/18/79/1066681879.db2.gz JNGVAQXFMRNOLJ-UHFFFAOYSA-N 0 0 453.857 4.838 20 5 JJBDRN CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001492615663 1066682442 /nfs/dbraw/zinc/68/24/42/1066682442.db2.gz VAXKQNUYRMAOBX-UHFFFAOYSA-N 0 0 474.352 4.824 20 5 JJBDRN CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001492615765 1066682564 /nfs/dbraw/zinc/68/25/64/1066682564.db2.gz XVVFBSVEXNDHSM-FQEVSTJZSA-N 0 0 470.574 4.559 20 5 JJBDRN CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001492615766 1066682607 /nfs/dbraw/zinc/68/26/07/1066682607.db2.gz XVVFBSVEXNDHSM-HXUWFJFHSA-N 0 0 470.574 4.559 20 5 JJBDRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001456791542 1066690892 /nfs/dbraw/zinc/69/08/92/1066690892.db2.gz OAIMGDMOZATDJT-DENIHFKCSA-N 0 0 455.561 4.980 20 5 JJBDRN CC[C@H](Cn1c(C2CCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)OC(C)(C)C ZINC001545984675 1066694291 /nfs/dbraw/zinc/69/42/91/1066694291.db2.gz NGOKJNKYJMVTNX-LJQANCHMSA-N 0 0 484.601 4.926 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2nccs2)s1 ZINC001492630409 1066704554 /nfs/dbraw/zinc/70/45/54/1066704554.db2.gz UBSWCWQVVDMYGM-CYBMUJFWSA-N 0 0 455.569 4.515 20 5 JJBDRN CCN(CC)C(=O)c1ccc(OC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001456841319 1066704553 /nfs/dbraw/zinc/70/45/53/1066704553.db2.gz NOJTZFSUKXHYKD-UHFFFAOYSA-N 0 0 453.417 4.503 20 5 JJBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC001456866008 1066709601 /nfs/dbraw/zinc/70/96/01/1066709601.db2.gz VHLVVNQWNDZQEY-JOCHJYFZSA-N 0 0 454.324 4.949 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc21 ZINC001446515933 1066713600 /nfs/dbraw/zinc/71/36/00/1066713600.db2.gz JVEGOCCTKMOUBV-UHFFFAOYSA-N 0 0 451.523 4.626 20 5 JJBDRN CCOC(=O)COc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC001456897674 1066716916 /nfs/dbraw/zinc/71/69/16/1066716916.db2.gz TVOBYNDZQQADEB-UHFFFAOYSA-N 0 0 453.472 4.907 20 5 JJBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001456903365 1066717814 /nfs/dbraw/zinc/71/78/14/1066717814.db2.gz ORNUBPCLNXHYLT-UHFFFAOYSA-N 0 0 454.430 4.976 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492636601 1066721669 /nfs/dbraw/zinc/72/16/69/1066721669.db2.gz DXCXUCGHQIQHFB-DNVCBOLYSA-N 0 0 470.599 4.673 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492636600 1066721709 /nfs/dbraw/zinc/72/17/09/1066721709.db2.gz DXCXUCGHQIQHFB-BEFAXECRSA-N 0 0 470.599 4.673 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001492639979 1066729647 /nfs/dbraw/zinc/72/96/47/1066729647.db2.gz SWTAEQSQDKHATE-KRWDZBQOSA-N 0 0 483.642 4.670 20 5 JJBDRN Cc1c(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001456961929 1066730318 /nfs/dbraw/zinc/73/03/18/1066730318.db2.gz SVIXRTKLOHHRAG-UHFFFAOYSA-N 0 0 455.389 4.938 20 5 JJBDRN CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001546085971 1066736514 /nfs/dbraw/zinc/73/65/14/1066736514.db2.gz WGURIQUMCKVGCG-DEOSSOPVSA-N 0 0 484.626 4.855 20 5 JJBDRN Cc1nc(C)c(CCn2c(CC3CCCC3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001492656996 1066769980 /nfs/dbraw/zinc/76/99/80/1066769980.db2.gz LHHKSKDQIOPENQ-UHFFFAOYSA-N 0 0 454.600 4.871 20 5 JJBDRN Cc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C(C)C)C2)s1 ZINC001492659298 1066775179 /nfs/dbraw/zinc/77/51/79/1066775179.db2.gz WSILVGMKMWMDHC-SFHVURJKSA-N 0 0 458.613 4.553 20 5 JJBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Br ZINC001457166985 1066777990 /nfs/dbraw/zinc/77/79/90/1066777990.db2.gz ICQFEJQOGCRARA-UHFFFAOYSA-N 0 0 456.134 4.873 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001457187098 1066782352 /nfs/dbraw/zinc/78/23/52/1066782352.db2.gz APZCEANEQMPDLD-DFHBCGBQSA-N 0 0 451.262 4.627 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001457203089 1066788441 /nfs/dbraw/zinc/78/84/41/1066788441.db2.gz SMKHSTXSIWTGRO-QFIPXVFZSA-N 0 0 451.951 4.573 20 5 JJBDRN CSc1cccc([C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC001457203734 1066788857 /nfs/dbraw/zinc/78/88/57/1066788857.db2.gz MYEFDSYXPQNTCH-QHCPKHFHSA-N 0 0 457.502 4.937 20 5 JJBDRN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001447308923 1066789760 /nfs/dbraw/zinc/78/97/60/1066789760.db2.gz VTEWSSBNUGPZQO-UHFFFAOYSA-N 0 0 452.898 4.531 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2Cc2ccc(Cl)s2)cs1 ZINC001492668510 1066796389 /nfs/dbraw/zinc/79/63/89/1066796389.db2.gz NWJDUWVTEXPDSB-UHFFFAOYSA-N 0 0 489.026 4.984 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC2CCCCC2)cs1 ZINC001492668489 1066796467 /nfs/dbraw/zinc/79/64/67/1066796467.db2.gz MXQDHFNYVSCVGK-UHFFFAOYSA-N 0 0 454.600 4.801 20 5 JJBDRN Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001457291157 1066805246 /nfs/dbraw/zinc/80/52/46/1066805246.db2.gz LPYMLZSUHAFVFA-INIZCTEOSA-N 0 0 454.405 4.522 20 5 JJBDRN Cc1csc([C@H](C)CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001447455757 1066811597 /nfs/dbraw/zinc/81/15/97/1066811597.db2.gz RNPKUGGLBPTESC-GFCCVEGCSA-N 0 0 458.927 4.799 20 5 JJBDRN Cc1csc([C@@H](C)CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001447455770 1066811622 /nfs/dbraw/zinc/81/16/22/1066811622.db2.gz RNPKUGGLBPTESC-LBPRGKRZSA-N 0 0 458.927 4.799 20 5 JJBDRN Cc1cc(C)c2c(c1)CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)C2 ZINC001457367105 1066818243 /nfs/dbraw/zinc/81/82/43/1066818243.db2.gz INQIRBHAGDXCCD-RUZDIDTESA-N 0 0 453.539 4.536 20 5 JJBDRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccn1 ZINC001457440997 1066832529 /nfs/dbraw/zinc/83/25/29/1066832529.db2.gz PMZMHUUNPYQIKR-UHFFFAOYSA-N 0 0 454.870 4.664 20 5 JJBDRN Cc1nc(CCn2c(Cc3ccsc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC001492689959 1066835662 /nfs/dbraw/zinc/83/56/62/1066835662.db2.gz IGRFGIQIBGHVLV-UHFFFAOYSA-N 0 0 468.608 4.525 20 5 JJBDRN CC1(C)Cc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)sc2C(=O)C1 ZINC001457528870 1066853036 /nfs/dbraw/zinc/85/30/36/1066853036.db2.gz XMNVVYWPPXIAOY-UHFFFAOYSA-N 0 0 458.721 4.875 20 5 JJBDRN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001457581105 1066870754 /nfs/dbraw/zinc/87/07/54/1066870754.db2.gz YSGLLOOWGIZJDS-UHFFFAOYSA-N 0 0 454.280 4.743 20 5 JJBDRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001457613560 1066878597 /nfs/dbraw/zinc/87/85/97/1066878597.db2.gz PLQUADRUFYFMKT-UHFFFAOYSA-N 0 0 458.356 4.614 20 5 JJBDRN CC(C)OC[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCO1 ZINC001447964241 1066883815 /nfs/dbraw/zinc/88/38/15/1066883815.db2.gz CIOAAMQJJGQCLA-MRXNPFEDSA-N 0 0 450.944 4.665 20 5 JJBDRN Cc1cc(C)n(-c2ccc(Cn3c(-c4cccc([N+](=O)[O-])c4)nnc3N(CC(C)C)C(C)C)cn2)n1 ZINC001492727928 1066897674 /nfs/dbraw/zinc/89/76/74/1066897674.db2.gz MPRKYZJYMYITDC-UHFFFAOYSA-N 0 0 488.596 4.970 20 5 JJBDRN O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457696369 1066899396 /nfs/dbraw/zinc/89/93/96/1066899396.db2.gz WNMFHDZVXJXOLI-CYBMUJFWSA-N 0 0 455.717 4.689 20 5 JJBDRN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)c(O[C@H](C)CC(C)C)c1 ZINC001457706648 1066900714 /nfs/dbraw/zinc/90/07/14/1066900714.db2.gz LDMMGEYKTYFOQQ-CQSZACIVSA-N 0 0 450.333 4.804 20 5 JJBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 ZINC001457730683 1066905642 /nfs/dbraw/zinc/90/56/42/1066905642.db2.gz VZMYHZWQGJVIMO-UHFFFAOYSA-N 0 0 455.685 4.974 20 5 JJBDRN COc1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ncc1Br ZINC001457740537 1066908274 /nfs/dbraw/zinc/90/82/74/1066908274.db2.gz DSIBFCKCVYHVKA-UHFFFAOYSA-N 0 0 457.284 4.625 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC001457788795 1066920106 /nfs/dbraw/zinc/92/01/06/1066920106.db2.gz IVKTVDRHCVPNFZ-UHFFFAOYSA-N 0 0 455.396 4.874 20 5 JJBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001457807627 1066925344 /nfs/dbraw/zinc/92/53/44/1066925344.db2.gz ZEEJJDVJWOQSGY-WFASDCNBSA-N 0 0 455.736 4.916 20 5 JJBDRN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881771 1066935271 /nfs/dbraw/zinc/93/52/71/1066935271.db2.gz AEIXXUSXVZNHSQ-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nccc(Br)c2C1 ZINC001457883022 1066935614 /nfs/dbraw/zinc/93/56/14/1066935614.db2.gz YGUKNYOKDWEDHL-UHFFFAOYSA-N 0 0 450.358 4.843 20 5 JJBDRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001448521453 1066936069 /nfs/dbraw/zinc/93/60/69/1066936069.db2.gz RPIIIHCJGAISCV-SNVBAGLBSA-N 0 0 456.699 4.709 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)cc2[N+](=O)[O-])n1 ZINC001448578528 1066940179 /nfs/dbraw/zinc/94/01/79/1066940179.db2.gz RIELVJQWKDRGRU-UHFFFAOYSA-N 0 0 456.484 4.687 20 5 JJBDRN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457956715 1066948353 /nfs/dbraw/zinc/94/83/53/1066948353.db2.gz YCXZCISYVRHINO-ONEGZZNKSA-N 0 0 455.677 4.878 20 5 JJBDRN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc21 ZINC001457963571 1066949105 /nfs/dbraw/zinc/94/91/05/1066949105.db2.gz DFFKGGGDMHHYSE-VIFPVBQESA-N 0 0 452.692 4.733 20 5 JJBDRN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc21 ZINC001457963568 1066949234 /nfs/dbraw/zinc/94/92/34/1066949234.db2.gz DFFKGGGDMHHYSE-SECBINFHSA-N 0 0 452.692 4.733 20 5 JJBDRN O=C(Nc1ccc2cccc(Br)c2n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001457980458 1066951069 /nfs/dbraw/zinc/95/10/69/1066951069.db2.gz MBONYWBFPLHKKQ-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001457982553 1066951581 /nfs/dbraw/zinc/95/15/81/1066951581.db2.gz JFANYBDZRKGTQK-ACJLOTCBSA-N 0 0 452.338 4.924 20 5 JJBDRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001457993987 1066954092 /nfs/dbraw/zinc/95/40/92/1066954092.db2.gz JUMPMEGGCRATQN-YJYMSZOUSA-N 0 0 452.338 4.924 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001448803602 1066958644 /nfs/dbraw/zinc/95/86/44/1066958644.db2.gz BXQJPADAQXBBQZ-UHFFFAOYSA-N 0 0 453.417 4.820 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1CSC1=NCCS1 ZINC001448809065 1066958969 /nfs/dbraw/zinc/95/89/69/1066958969.db2.gz ZYSBRULQPKNLPH-UHFFFAOYSA-N 0 0 455.483 4.880 20 5 JJBDRN O=C(c1cccc(Cl)c1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001458118128 1066980686 /nfs/dbraw/zinc/98/06/86/1066980686.db2.gz AGUYRYZXTHRXSQ-UHFFFAOYSA-N 0 0 454.889 4.802 20 5 JJBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001449111135 1066983007 /nfs/dbraw/zinc/98/30/07/1066983007.db2.gz VIWTYYHITMXFKV-MNLRITNHSA-N 0 0 455.603 4.967 20 5 JJBDRN CCS(=O)(=O)c1ccc(N2CCC(Nc3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC001458131515 1066984802 /nfs/dbraw/zinc/98/48/02/1066984802.db2.gz JIENHCMNYGHKKR-UHFFFAOYSA-N 0 0 458.367 4.776 20 5 JJBDRN COc1ccc(CCC(=O)N2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC001458148802 1066988380 /nfs/dbraw/zinc/98/83/80/1066988380.db2.gz VFMOMMAXJNKHMH-UHFFFAOYSA-N 0 0 452.338 4.582 20 5 JJBDRN O=C(Nc1ccc(OCCCO)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001449202852 1066988978 /nfs/dbraw/zinc/98/89/78/1066988978.db2.gz BBWBQXFYHZSQNP-UHFFFAOYSA-N 0 0 455.898 4.874 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@H]2c2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001449221934 1066990445 /nfs/dbraw/zinc/99/04/45/1066990445.db2.gz OVVHTWVRHIKCOO-HNNXBMFYSA-N 0 0 458.858 4.718 20 5 JJBDRN O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001458171094 1066995185 /nfs/dbraw/zinc/99/51/85/1066995185.db2.gz ZHOXRULTZOQZOZ-KRWDZBQOSA-N 0 0 450.720 4.963 20 5 JJBDRN Cc1c(Br)c(N[C@H]2CCN(c3ccc(Br)cc3)C2)ncc1[N+](=O)[O-] ZINC001458171642 1066995232 /nfs/dbraw/zinc/99/52/32/1066995232.db2.gz XXWDTHBBFTXKQG-LBPRGKRZSA-N 0 0 456.138 4.514 20 5 JJBDRN Nc1c(Br)cc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC001449293098 1066995878 /nfs/dbraw/zinc/99/58/78/1066995878.db2.gz GDIJLRFUBZCZDM-KRWDZBQOSA-N 0 0 454.271 4.642 20 5 JJBDRN CC(C)(CNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1cccs1 ZINC001458179453 1066998276 /nfs/dbraw/zinc/99/82/76/1066998276.db2.gz PUAPNTFBXPTWER-UHFFFAOYSA-N 0 0 456.549 4.633 20 5 JJBDRN CCOC(=O)c1cc(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cc([N+](=O)[O-])c1 ZINC001458189603 1067000441 /nfs/dbraw/zinc/00/04/41/1067000441.db2.gz YFQNEFBJHHSJQK-UHFFFAOYSA-N 0 0 452.438 4.675 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(NC(c2cccs2)c2cccs2)c([N+](=O)[O-])c1 ZINC001458195971 1067001483 /nfs/dbraw/zinc/00/14/83/1067001483.db2.gz DXZZDEVRVDLCPX-UHFFFAOYSA-N 0 0 451.595 4.950 20 5 JJBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCCN1c1ccccc1Cl ZINC001458201919 1067002147 /nfs/dbraw/zinc/00/21/47/1067002147.db2.gz WPIYFCORKCDPDD-GOSISDBHSA-N 0 0 452.898 4.830 20 5 JJBDRN Cc1ccc(O[C@H](C)C(=O)N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 ZINC001458206448 1067002799 /nfs/dbraw/zinc/00/27/99/1067002799.db2.gz WCAYOHGZUNVUDK-OAHLLOKOSA-N 0 0 452.338 4.635 20 5 JJBDRN COc1cc(Br)ccc1CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001458232773 1067008548 /nfs/dbraw/zinc/00/85/48/1067008548.db2.gz RFUBSRCBKPFGBU-ZDUSSCGKSA-N 0 0 453.358 4.596 20 5 JJBDRN COC(=O)/C=C/c1ccc(NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC001458239485 1067009702 /nfs/dbraw/zinc/00/97/02/1067009702.db2.gz QZFFVBQJWIBFRR-WQMJKPAKSA-N 0 0 455.511 4.979 20 5 JJBDRN Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458250958 1067012166 /nfs/dbraw/zinc/01/21/66/1067012166.db2.gz CTLFCUUQBDNCHF-SFHVURJKSA-N 0 0 458.584 4.810 20 5 JJBDRN CCOC(=O)c1ccnc(NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)c1[N+](=O)[O-] ZINC001458259954 1067015244 /nfs/dbraw/zinc/01/52/44/1067015244.db2.gz JYPZIUGNYQCPGH-UHFFFAOYSA-N 0 0 450.536 4.538 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001458287861 1067022394 /nfs/dbraw/zinc/02/23/94/1067022394.db2.gz XNEUBKRJMSSMGO-MOPGFXCFSA-N 0 0 454.527 4.547 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)CC2 ZINC001458292785 1067023281 /nfs/dbraw/zinc/02/32/81/1067023281.db2.gz JQIVQFYJYNRLKO-JRMCHAMMSA-N 0 0 453.926 4.540 20 5 JJBDRN CC[C@H](Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546016414 1067023212 /nfs/dbraw/zinc/02/32/12/1067023212.db2.gz DBKBZHNHVWKUSU-GOSISDBHSA-N 0 0 485.564 4.519 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449717942 1067023437 /nfs/dbraw/zinc/02/34/37/1067023437.db2.gz ZSDMAGLFVMZDAJ-NJYVYQBISA-N 0 0 459.587 4.659 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cc(F)ccc1I ZINC001458294435 1067023659 /nfs/dbraw/zinc/02/36/59/1067023659.db2.gz JOVWDVZUVQBAFO-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC([C@](C)(O)C(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 ZINC001458302533 1067025160 /nfs/dbraw/zinc/02/51/60/1067025160.db2.gz DGDKHYYIMPBTFO-NRFANRHFSA-N 0 0 451.445 4.685 20 5 JJBDRN Cc1ccc(N2C[C@@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CCC2=O)cc1C ZINC001458319878 1067029391 /nfs/dbraw/zinc/02/93/91/1067029391.db2.gz OEYPIRAZPDLFKD-CPJSRVTESA-N 0 0 459.502 4.682 20 5 JJBDRN Cc1c(Br)c(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001458339821 1067035199 /nfs/dbraw/zinc/03/51/99/1067035199.db2.gz OIFHVUOTMBCOES-LLVKDONJSA-N 0 0 454.630 4.878 20 5 JJBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)cc(N2CCCC2)c1 ZINC001458340621 1067035349 /nfs/dbraw/zinc/03/53/49/1067035349.db2.gz MZMRTDWQORYMDI-UHFFFAOYSA-N 0 0 452.736 4.583 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC001458355847 1067040878 /nfs/dbraw/zinc/04/08/78/1067040878.db2.gz IHDQGBRTNXAKIK-RHSMWYFYSA-N 0 0 457.474 4.587 20 5 JJBDRN CN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001449997045 1067041046 /nfs/dbraw/zinc/04/10/46/1067041046.db2.gz DUXHSUCQSBQIBX-UHFFFAOYSA-N 0 0 450.294 4.560 20 5 JJBDRN CSc1ncc(I)c(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC001458358178 1067041611 /nfs/dbraw/zinc/04/16/11/1067041611.db2.gz SAJFBNWRKDPYCU-UHFFFAOYSA-N 0 0 458.064 4.810 20 5 JJBDRN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001458360655 1067042189 /nfs/dbraw/zinc/04/21/89/1067042189.db2.gz VBZYPVLLKOKAGW-AWEZNQCLSA-N 0 0 450.385 4.829 20 5 JJBDRN O=[N+]([O-])c1ccc(N(CCO)Cc2ccc(Br)s2)nc1-c1ccc(F)cc1 ZINC001458362081 1067042596 /nfs/dbraw/zinc/04/25/96/1067042596.db2.gz DBGHIYFBCFBCPE-UHFFFAOYSA-N 0 0 452.305 4.619 20 5 JJBDRN O=[N+]([O-])c1ccc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(Br)c1 ZINC001458369875 1067044038 /nfs/dbraw/zinc/04/40/38/1067044038.db2.gz VETIMDWLAMSSOX-UHFFFAOYSA-N 0 0 457.078 4.591 20 5 JJBDRN Cc1sc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1-c1ccc(Br)cc1 ZINC001545764921 1067049736 /nfs/dbraw/zinc/04/97/36/1067049736.db2.gz HXNMXMXMGSFALR-UHFFFAOYSA-N 0 0 450.318 4.888 20 5 JJBDRN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398798 1067052087 /nfs/dbraw/zinc/05/20/87/1067052087.db2.gz ZBHOQXMYMRWMBI-ICSRJNTNSA-N 0 0 459.428 4.603 20 5 JJBDRN CC(=O)c1cccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001450153295 1067054440 /nfs/dbraw/zinc/05/44/40/1067054440.db2.gz BYGRWYJNXBWKDY-UHFFFAOYSA-N 0 0 454.486 4.509 20 5 JJBDRN CCc1ccccc1[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)NC(=O)OC(C)(C)C ZINC001458417962 1067056401 /nfs/dbraw/zinc/05/64/01/1067056401.db2.gz ZJVRLCUSPMDPNJ-FQEVSTJZSA-N 0 0 454.527 4.720 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(c4ccccc4[N+](=O)[O-])CC3)n[nH]2)CC1 ZINC001458425926 1067058046 /nfs/dbraw/zinc/05/80/46/1067058046.db2.gz IGOVNORRGIQZCS-UHFFFAOYSA-N 0 0 455.559 4.816 20 5 JJBDRN CC(=O)c1cc(F)c(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(F)c1 ZINC001458451778 1067066101 /nfs/dbraw/zinc/06/61/01/1067066101.db2.gz ZXBLZJHBVOOKDG-UHFFFAOYSA-N 0 0 455.204 4.820 20 5 JJBDRN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267610 1067067105 /nfs/dbraw/zinc/06/71/05/1067067105.db2.gz FZAPCCFRQFLOEX-LBPRGKRZSA-N 0 0 456.852 4.756 20 5 JJBDRN O=C(c1ccccc1)c1ccc(N2CCOc3cccc(Br)c3C2)c([N+](=O)[O-])c1 ZINC001458455489 1067067023 /nfs/dbraw/zinc/06/70/23/1067067023.db2.gz IHLOMRZHTZPELW-UHFFFAOYSA-N 0 0 453.292 4.987 20 5 JJBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cc1C ZINC001458456036 1067067037 /nfs/dbraw/zinc/06/70/37/1067067037.db2.gz QDTOEXRFQIZNAH-VQTJNVASSA-N 0 0 454.523 4.642 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3)cc2[N+](=O)[O-])C1 ZINC001458461862 1067068789 /nfs/dbraw/zinc/06/87/89/1067068789.db2.gz KBZXLPAUXLHABC-WSTZPKSXSA-N 0 0 454.546 4.615 20 5 JJBDRN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)SC ZINC001545779209 1067073671 /nfs/dbraw/zinc/07/36/71/1067073671.db2.gz GSPDOLINOBPDJN-UHFFFAOYSA-N 0 0 499.641 4.556 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCC(F)(F)c1ccc(F)cc1 ZINC001458499800 1067075861 /nfs/dbraw/zinc/07/58/61/1067075861.db2.gz AIKMVIFKSYWWIS-UHFFFAOYSA-N 0 0 457.474 4.503 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(CCOCc4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC001458502634 1067076289 /nfs/dbraw/zinc/07/62/89/1067076289.db2.gz VBQNJKPCHSKEAU-WOJBJXKFSA-N 0 0 451.567 4.946 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C2 ZINC001458515386 1067079084 /nfs/dbraw/zinc/07/90/84/1067079084.db2.gz JUVQPVJZJKQZLJ-IQGLISFBSA-N 0 0 451.523 4.709 20 5 JJBDRN CCOC(=O)C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001458524727 1067080676 /nfs/dbraw/zinc/08/06/76/1067080676.db2.gz FINCWQICOOHUIL-DBXWQHBBSA-N 0 0 453.539 4.501 20 5 JJBDRN COC(=O)c1cc(C)nc(N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001458547648 1067085657 /nfs/dbraw/zinc/08/56/57/1067085657.db2.gz LBWKZBGVTCYSCH-HXUWFJFHSA-N 0 0 455.408 4.844 20 5 JJBDRN O=C(O[C@@H](c1cc(Br)cs1)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001458564160 1067088144 /nfs/dbraw/zinc/08/81/44/1067088144.db2.gz JUSPLKOWRCTRCF-NSHDSACASA-N 0 0 455.164 4.787 20 5 JJBDRN CC[C@@H](OC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC001458573116 1067089773 /nfs/dbraw/zinc/08/97/73/1067089773.db2.gz SJOWWHPDRHQNOM-QGZVFWFLSA-N 0 0 450.289 4.563 20 5 JJBDRN CC[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001458572504 1067089790 /nfs/dbraw/zinc/08/97/90/1067089790.db2.gz RFCMOWOCCPGDIQ-NHCUHLMSSA-N 0 0 453.495 4.566 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001458620586 1067097216 /nfs/dbraw/zinc/09/72/16/1067097216.db2.gz HPDAUOGYKOKDDG-WDEREUQCSA-N 0 0 454.396 4.749 20 5 JJBDRN COC(=O)c1ccccc1N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCC1 ZINC001458661349 1067103032 /nfs/dbraw/zinc/10/30/32/1067103032.db2.gz CSZUFKQQRFMNJI-UHFFFAOYSA-N 0 0 452.385 4.522 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](c3cnn(C)c3)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC001458674543 1067106318 /nfs/dbraw/zinc/10/63/18/1067106318.db2.gz PSAYNHJHFFFLLE-QFIPXVFZSA-N 0 0 457.556 4.555 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001458677223 1067107060 /nfs/dbraw/zinc/10/70/60/1067107060.db2.gz NJAFPCFPNUQNFD-VQIMIIECSA-N 0 0 454.527 4.505 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C2 ZINC001458680572 1067107647 /nfs/dbraw/zinc/10/76/47/1067107647.db2.gz PFYAINQWNSJBFC-FOGDFJRCSA-N 0 0 452.380 4.596 20 5 JJBDRN COc1cc(C)c(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001458712287 1067113517 /nfs/dbraw/zinc/11/35/17/1067113517.db2.gz KMBLTIZUFDHQMZ-UHFFFAOYSA-N 0 0 458.106 4.618 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451153356 1067151302 /nfs/dbraw/zinc/15/13/02/1067151302.db2.gz CRRVHJAZHUXWGP-MRXNPFEDSA-N 0 0 455.458 4.540 20 5 JJBDRN COc1cc(CSc2nncn2-c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001458823111 1067157213 /nfs/dbraw/zinc/15/72/13/1067157213.db2.gz PWWVYODFOWLPLO-UHFFFAOYSA-N 0 0 456.858 4.774 20 5 JJBDRN CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001545821894 1067162330 /nfs/dbraw/zinc/16/23/30/1067162330.db2.gz ODOFJTOSFKHGKY-UHFFFAOYSA-N 0 0 467.574 4.576 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1C)CCC2 ZINC001458836573 1067164866 /nfs/dbraw/zinc/16/48/66/1067164866.db2.gz ZVCOGSONFWNNCJ-UHFFFAOYSA-N 0 0 452.536 4.527 20 5 JJBDRN CN(C)c1ccc(COC(=O)c2ccc(Br)cc2Br)cc1[N+](=O)[O-] ZINC001458844367 1067169320 /nfs/dbraw/zinc/16/93/20/1067169320.db2.gz SFQWGTTZBPMJKZ-UHFFFAOYSA-N 0 0 458.106 4.543 20 5 JJBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc2ccccc2nc1Cl ZINC001458913604 1067194886 /nfs/dbraw/zinc/19/48/86/1067194886.db2.gz PJFHUTCKBVUEAV-UHFFFAOYSA-N 0 0 452.854 4.738 20 5 JJBDRN O=C(COc1ccc(Br)cc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1ccccc1 ZINC001458952136 1067206858 /nfs/dbraw/zinc/20/68/58/1067206858.db2.gz YVVNSHLJYJHWPZ-LJQANCHMSA-N 0 0 455.308 4.836 20 5 JJBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC001452196751 1067213735 /nfs/dbraw/zinc/21/37/35/1067213735.db2.gz UWIJICGMQREHBZ-UHFFFAOYSA-N 0 0 457.490 4.679 20 5 JJBDRN CCc1c(Br)cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1Br ZINC001458991083 1067222126 /nfs/dbraw/zinc/22/21/26/1067222126.db2.gz HCNDQGXICWKWAG-UHFFFAOYSA-N 0 0 456.134 4.921 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N[C@H](c2cccs2)C(C)(C)CO)cc1[N+](=O)[O-])c1ccccn1 ZINC001452422079 1067222764 /nfs/dbraw/zinc/22/27/64/1067222764.db2.gz KYCHVVFXVSZFTA-QVKFZJNVSA-N 0 0 454.552 4.714 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](c2cccs2)C(C)(C)CO)cc1[N+](=O)[O-])c1ccccn1 ZINC001452422084 1067222783 /nfs/dbraw/zinc/22/27/83/1067222783.db2.gz KYCHVVFXVSZFTA-VFNWGFHPSA-N 0 0 454.552 4.714 20 5 JJBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001459003966 1067227817 /nfs/dbraw/zinc/22/78/17/1067227817.db2.gz IOIUEXJCSVRQRT-UHFFFAOYSA-N 0 0 453.720 4.832 20 5 JJBDRN CC(C)(C)c1cc(Br)cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1O ZINC001452658677 1067241884 /nfs/dbraw/zinc/24/18/84/1067241884.db2.gz ULTOTINYHAOBLS-UHFFFAOYSA-N 0 0 459.300 4.798 20 5 JJBDRN C[C@@H](NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC001459063524 1067242377 /nfs/dbraw/zinc/24/23/77/1067242377.db2.gz VTCMRQDSILBPSI-GFCCVEGCSA-N 0 0 451.292 4.631 20 5 JJBDRN Cc1ccc(I)cc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001459117840 1067254525 /nfs/dbraw/zinc/25/45/25/1067254525.db2.gz FVTNBAASTVZHJJ-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001459159325 1067263624 /nfs/dbraw/zinc/26/36/24/1067263624.db2.gz LABBJMNGTOAHNS-KRWDZBQOSA-N 0 0 455.820 4.819 20 5 JJBDRN COc1cc(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC001459181296 1067266987 /nfs/dbraw/zinc/26/69/87/1067266987.db2.gz MWJVVXWXDCQWKG-UHFFFAOYSA-N 0 0 456.392 4.725 20 5 JJBDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001459203758 1067270596 /nfs/dbraw/zinc/27/05/96/1067270596.db2.gz ZFFVKROZONCPGZ-HNNXBMFYSA-N 0 0 455.736 4.778 20 5 JJBDRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001459228507 1067273761 /nfs/dbraw/zinc/27/37/61/1067273761.db2.gz QFEVMZYJUZXLKV-UHFFFAOYSA-N 0 0 459.550 4.506 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(cc[nH]c3=O)c2)cc1[N+](=O)[O-] ZINC001453067234 1067276086 /nfs/dbraw/zinc/27/60/86/1067276086.db2.gz MKVRBSTUNPAGLW-UHFFFAOYSA-N 0 0 459.483 4.642 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC001459280913 1067281960 /nfs/dbraw/zinc/28/19/60/1067281960.db2.gz OPQJRKONFIDCPT-UHFFFAOYSA-N 0 0 453.307 4.752 20 5 JJBDRN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC001546048394 1067288312 /nfs/dbraw/zinc/28/83/12/1067288312.db2.gz LNAPCJKOGVKZSX-YADARESESA-N 0 0 484.988 4.928 20 5 JJBDRN COc1cc(CN2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001459307979 1067289972 /nfs/dbraw/zinc/28/99/72/1067289972.db2.gz GMFLKOMPOVCXCC-UHFFFAOYSA-N 0 0 458.408 4.569 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)s1 ZINC001459316454 1067292248 /nfs/dbraw/zinc/29/22/48/1067292248.db2.gz WPQZEQUNRDHIGK-YWZLYKJASA-N 0 0 455.502 4.551 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001453285870 1067293925 /nfs/dbraw/zinc/29/39/25/1067293925.db2.gz IRJMJJMENIQUNM-QGZVFWFLSA-N 0 0 450.413 4.695 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC001453332736 1067298093 /nfs/dbraw/zinc/29/80/93/1067298093.db2.gz WNBAWPRUTRBBLC-QGZVFWFLSA-N 0 0 451.951 4.748 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC001453343238 1067299631 /nfs/dbraw/zinc/29/96/31/1067299631.db2.gz WYFZHVOXOYRDAI-INIZCTEOSA-N 0 0 451.951 4.748 20 5 JJBDRN CCOc1cc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC ZINC001459370627 1067305266 /nfs/dbraw/zinc/30/52/66/1067305266.db2.gz PRIOFZODKIJELC-FQEVSTJZSA-N 0 0 456.392 4.732 20 5 JJBDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001459390749 1067311291 /nfs/dbraw/zinc/31/12/91/1067311291.db2.gz HXFMYQREZISTMI-RUZDIDTESA-N 0 0 455.518 4.901 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)ccc1Br)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001459405737 1067314644 /nfs/dbraw/zinc/31/46/44/1067314644.db2.gz SKULLNXDWKQHLP-OAHLLOKOSA-N 0 0 458.190 4.508 20 5 JJBDRN C[C@@H]1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@@]1(C)CO ZINC001453683443 1067322066 /nfs/dbraw/zinc/32/20/66/1067322066.db2.gz CUDYWYSRZNLSCM-VGWWBMIOSA-N 0 0 451.548 4.612 20 5 JJBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC001453687149 1067322575 /nfs/dbraw/zinc/32/25/75/1067322575.db2.gz BTHXTJACTGYTIH-YEJXKQKISA-N 0 0 453.873 4.745 20 5 JJBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC001453687157 1067322638 /nfs/dbraw/zinc/32/26/38/1067322638.db2.gz BTHXTJACTGYTIH-ZSEKCTLFSA-N 0 0 453.873 4.745 20 5 JJBDRN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC001459528860 1067345381 /nfs/dbraw/zinc/34/53/81/1067345381.db2.gz PCYANMDINNZEEN-UHFFFAOYSA-N 0 0 452.736 4.613 20 5 JJBDRN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC001459573216 1067355263 /nfs/dbraw/zinc/35/52/63/1067355263.db2.gz VSOGNGAECVFCOT-DZGCQCFKSA-N 0 0 454.118 4.714 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N(Cc2cccnc2)c2cc(C)ccc2Cl)cc([N+](=O)[O-])c1 ZINC001459588690 1067358138 /nfs/dbraw/zinc/35/81/38/1067358138.db2.gz SORBHHIRHPLJSE-UHFFFAOYSA-N 0 0 453.882 4.975 20 5 JJBDRN CO[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1Br ZINC001459713134 1067392550 /nfs/dbraw/zinc/39/25/50/1067392550.db2.gz MGEHIOTZHBWTIO-HNNXBMFYSA-N 0 0 458.106 4.754 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(N(Cc2cccc([N+](=O)[O-])c2Br)C2CC2)CC1 ZINC001459717016 1067394146 /nfs/dbraw/zinc/39/41/46/1067394146.db2.gz FZJJBVQXHMJJDM-UHFFFAOYSA-N 0 0 454.365 4.721 20 5 JJBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1OCc1ccccc1Br ZINC001459729923 1067398237 /nfs/dbraw/zinc/39/82/37/1067398237.db2.gz JNMQXGWVGYCHPX-UHFFFAOYSA-N 0 0 455.308 4.909 20 5 JJBDRN CCOc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)ccc1[N+](=O)[O-] ZINC001459752629 1067406897 /nfs/dbraw/zinc/40/68/97/1067406897.db2.gz FQXNSRRYLOEEKZ-UHFFFAOYSA-N 0 0 455.898 4.869 20 5 JJBDRN CCOc1cc(N2CCN(C(=O)Cc3coc4c3ccc(Cl)c4C)CC2)ccc1[N+](=O)[O-] ZINC001459752555 1067406940 /nfs/dbraw/zinc/40/69/40/1067406940.db2.gz DFUZUMFMWWWCCU-UHFFFAOYSA-N 0 0 457.914 4.593 20 5 JJBDRN Cc1c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cccc1NC(=O)N(C)C ZINC001459766409 1067413902 /nfs/dbraw/zinc/41/39/02/1067413902.db2.gz QZDBEKRZUVTPJL-HOTGVXAUSA-N 0 0 453.543 4.731 20 5 JJBDRN COc1ccc(CN(CCc2ccccn2)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001459791693 1067424350 /nfs/dbraw/zinc/42/43/50/1067424350.db2.gz JNUSHIJDFUDJCJ-GOSISDBHSA-N 0 0 451.548 4.751 20 5 JJBDRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001459800986 1067429636 /nfs/dbraw/zinc/42/96/36/1067429636.db2.gz UMOONKYBRZMWPN-UHFFFAOYSA-N 0 0 458.518 4.759 20 5 JJBDRN CC1(C)CC(=O)c2cc(OC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2O1 ZINC001459812114 1067433858 /nfs/dbraw/zinc/43/38/58/1067433858.db2.gz PKFXEIUUFJJFPJ-UHFFFAOYSA-N 0 0 452.385 4.765 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c(C)c([N+](=O)[O-])c1 ZINC001459812537 1067434442 /nfs/dbraw/zinc/43/44/42/1067434442.db2.gz DEBMOFSALNTDNP-UHFFFAOYSA-N 0 0 453.398 4.879 20 5 JJBDRN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001459826861 1067441236 /nfs/dbraw/zinc/44/12/36/1067441236.db2.gz SYZWNLSHYJDNGF-CQSZACIVSA-N 0 0 451.445 4.829 20 5 JJBDRN O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1I ZINC001459853783 1067458258 /nfs/dbraw/zinc/45/82/58/1067458258.db2.gz DRNKUXDLZSQLIJ-CABCVRRESA-N 0 0 450.276 4.656 20 5 JJBDRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001459896669 1067478281 /nfs/dbraw/zinc/47/82/81/1067478281.db2.gz AGWLWXRGNJLDCE-HLAWJBBLSA-N 0 0 472.383 4.863 20 5 JJBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909703 1067485057 /nfs/dbraw/zinc/48/50/57/1067485057.db2.gz YJHRWHWTGUNTHQ-UKRRQHHQSA-N 0 0 456.572 4.656 20 5 JJBDRN C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001459952675 1067504691 /nfs/dbraw/zinc/50/46/91/1067504691.db2.gz PBRVVBHPCICGMM-GUYCJALGSA-N 0 0 450.276 4.813 20 5 JJBDRN CC1(C)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c2cc(Br)ccc21 ZINC001460006879 1067524250 /nfs/dbraw/zinc/52/42/50/1067524250.db2.gz FXRKJVPAUHRACH-UHFFFAOYSA-N 0 0 455.312 4.871 20 5 JJBDRN CC[C@H]1Cc2c(Br)cccc2CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460022034 1067531466 /nfs/dbraw/zinc/53/14/66/1067531466.db2.gz YYSAKARRYLKTMD-AWEZNQCLSA-N 0 0 452.736 4.786 20 5 JJBDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2)cc1 ZINC001460022267 1067531968 /nfs/dbraw/zinc/53/19/68/1067531968.db2.gz VLDRFNVEDKVNOM-UHFFFAOYSA-N 0 0 459.911 4.634 20 5 JJBDRN Cc1ccc([C@H](NCc2cc(I)cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC001460051821 1067539915 /nfs/dbraw/zinc/53/99/15/1067539915.db2.gz BHGCPYHVJYIVCE-FQEVSTJZSA-N 0 0 459.287 4.782 20 5 JJBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001460100597 1067555184 /nfs/dbraw/zinc/55/51/84/1067555184.db2.gz PIACLIYDZJQDNS-MZKGEVEHSA-N 0 0 455.367 4.561 20 5 JJBDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460135500 1067562063 /nfs/dbraw/zinc/56/20/63/1067562063.db2.gz BEIOLWGCKUTAHN-KZULUSFZSA-N 0 0 457.836 4.668 20 5 JJBDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460250745 1067591486 /nfs/dbraw/zinc/59/14/86/1067591486.db2.gz XFIRDKDXSRTSDV-YUNKPMOVSA-N 0 0 453.392 4.893 20 5 JJBDRN CC[C@H](C)n1c(SCC(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)nnc1-c1ccccc1 ZINC001460265011 1067593629 /nfs/dbraw/zinc/59/36/29/1067593629.db2.gz QDGHZEMBPKCHIG-AWEZNQCLSA-N 0 0 455.515 4.645 20 5 JJBDRN Nc1c(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001460285128 1067598691 /nfs/dbraw/zinc/59/86/91/1067598691.db2.gz HBOMVRWKDXZRMU-OAHLLOKOSA-N 0 0 454.324 4.798 20 5 JJBDRN O=C(N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001460465827 1067638973 /nfs/dbraw/zinc/63/89/73/1067638973.db2.gz YKQKXRGLPHMIJQ-XMSQKQJNSA-N 0 0 456.857 4.568 20 5 JJBDRN O=C(NCCSCc1ccnc(Cl)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001546116803 1067646708 /nfs/dbraw/zinc/64/67/08/1067646708.db2.gz JQNMKFSNLQZBOZ-UHFFFAOYSA-N 0 0 456.955 4.919 20 5 JJBDRN O=C(c1cc(Cl)ccc1Sc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001460712507 1067706911 /nfs/dbraw/zinc/70/69/11/1067706911.db2.gz UVSVAPWGTAVYNE-UHFFFAOYSA-N 0 0 454.939 4.757 20 5 JJBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](CCC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460774476 1067721158 /nfs/dbraw/zinc/72/11/58/1067721158.db2.gz WBCCQVZEDIOCDP-GOSISDBHSA-N 0 0 453.539 4.643 20 5 JJBDRN Cc1cc(Br)c(F)c(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC001460913445 1067746884 /nfs/dbraw/zinc/74/68/84/1067746884.db2.gz HZAVFQFMIBGPTC-AWEZNQCLSA-N 0 0 453.161 4.977 20 5 JJBDRN Cc1c(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cnn1-c1ccc(F)cc1F ZINC001460916334 1067747769 /nfs/dbraw/zinc/74/77/69/1067747769.db2.gz RGAGWPFABXRYNX-KRWDZBQOSA-N 0 0 458.318 4.540 20 5 JJBDRN Cc1c(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cnn1-c1ccc(F)cc1F ZINC001460916337 1067747789 /nfs/dbraw/zinc/74/77/89/1067747789.db2.gz RGAGWPFABXRYNX-QGZVFWFLSA-N 0 0 458.318 4.540 20 5 JJBDRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC001460962390 1067753825 /nfs/dbraw/zinc/75/38/25/1067753825.db2.gz RBNUQTMTKNVIQL-UHFFFAOYSA-N 0 0 459.699 4.747 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC001460995990 1067759815 /nfs/dbraw/zinc/75/98/15/1067759815.db2.gz ZPMPBMJDOAXQIV-UHFFFAOYSA-N 0 0 453.539 4.759 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1N1CCCCC1 ZINC001461005394 1067761230 /nfs/dbraw/zinc/76/12/30/1067761230.db2.gz JYIVBMCJEHWADF-UHFFFAOYSA-N 0 0 451.401 4.643 20 5 JJBDRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001461037030 1067767049 /nfs/dbraw/zinc/76/70/49/1067767049.db2.gz CJNNRMWNJXNJPI-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCC(c4cccc(F)c4F)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC001461148721 1067789513 /nfs/dbraw/zinc/78/95/13/1067789513.db2.gz JITCQAGGNQFDNC-UHFFFAOYSA-N 0 0 454.477 4.754 20 5 JJBDRN COC(=O)Cc1ccccc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001461187883 1067795660 /nfs/dbraw/zinc/79/56/60/1067795660.db2.gz MBALTZDETIPELY-UHFFFAOYSA-N 0 0 454.866 4.686 20 5 JJBDRN CC(C)[C@@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001461198718 1067797807 /nfs/dbraw/zinc/79/78/07/1067797807.db2.gz WCGWMCVBFFDXMB-SJLPKXTDSA-N 0 0 456.543 4.507 20 5 JJBDRN COc1cc(C(=O)Nc2cncc(OC(C)C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461224351 1067803964 /nfs/dbraw/zinc/80/39/64/1067803964.db2.gz WMJYHNZHLDSWTO-UHFFFAOYSA-N 0 0 458.858 4.879 20 5 JJBDRN COc1nc(Cl)c(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1C ZINC001461236466 1067806473 /nfs/dbraw/zinc/80/64/73/1067806473.db2.gz STDQGNZRTQNMBO-UHFFFAOYSA-N 0 0 455.273 4.865 20 5 JJBDRN O=C(OCc1ncc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001461251369 1067810030 /nfs/dbraw/zinc/81/00/30/1067810030.db2.gz ABMIGMRNJVKSGE-UHFFFAOYSA-N 0 0 454.708 4.753 20 5 JJBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461271832 1067815444 /nfs/dbraw/zinc/81/54/44/1067815444.db2.gz AZSLLGFGDVKTDR-VAMGGRTRSA-N 0 0 450.413 4.671 20 5 JJBDRN CCCCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC001461339133 1067833077 /nfs/dbraw/zinc/83/30/77/1067833077.db2.gz OPIIBFNYPQVDGS-ZDUSSCGKSA-N 0 0 457.474 4.792 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001461399022 1067846339 /nfs/dbraw/zinc/84/63/39/1067846339.db2.gz SQCYLERTLVQGLD-INIZCTEOSA-N 0 0 457.552 4.803 20 5 JJBDRN Cc1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])nn1-c1ccc(Br)cc1 ZINC001461451925 1067859948 /nfs/dbraw/zinc/85/99/48/1067859948.db2.gz QXBIKSLKVGEWNY-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1cccc([N+](=O)[O-])c1Br ZINC001461470433 1067865834 /nfs/dbraw/zinc/86/58/34/1067865834.db2.gz KIVGPRDSJNDJAU-LJQANCHMSA-N 0 0 453.720 4.532 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001461474128 1067867699 /nfs/dbraw/zinc/86/76/99/1067867699.db2.gz GDDPXTSVPACZAL-SSGKUCQKSA-N 0 0 465.550 4.608 20 5 JJBDRN CS(=O)(=O)c1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(F)(F)F)c1 ZINC001461488174 1067873592 /nfs/dbraw/zinc/87/35/92/1067873592.db2.gz PDJIBCKJERDHQL-UHFFFAOYSA-N 0 0 454.426 4.567 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC001461548560 1067886109 /nfs/dbraw/zinc/88/61/09/1067886109.db2.gz ZTDPNWFXRIAQGB-UHFFFAOYSA-N 0 0 450.289 4.634 20 5 JJBDRN CC[C@@H](C)NC(=O)c1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001461560839 1067888582 /nfs/dbraw/zinc/88/85/82/1067888582.db2.gz XSCBMPFZAZSPDZ-CYBMUJFWSA-N 0 0 455.433 4.685 20 5 JJBDRN COC(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC001461653689 1067910913 /nfs/dbraw/zinc/91/09/13/1067910913.db2.gz HTHDESUDQCSWCN-FQEVSTJZSA-N 0 0 456.907 4.884 20 5 JJBDRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001461661800 1067912471 /nfs/dbraw/zinc/91/24/71/1067912471.db2.gz PWYNMFSDCSLILP-DENIHFKCSA-N 0 0 471.435 4.871 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccc3ccccc3c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001461720905 1067925283 /nfs/dbraw/zinc/92/52/83/1067925283.db2.gz KTNBJLZFVBEMHR-SFHVURJKSA-N 0 0 453.394 4.612 20 5 JJBDRN O=[N+]([O-])c1cc(Br)ccc1CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC001461722821 1067925917 /nfs/dbraw/zinc/92/59/17/1067925917.db2.gz VSNFWIHJDVPELQ-QGZVFWFLSA-N 0 0 455.736 4.858 20 5 JJBDRN O=C(Nc1cc2ccc(Br)cc2nc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001461759663 1067932282 /nfs/dbraw/zinc/93/22/82/1067932282.db2.gz SOLKENPIQCTCRC-UHFFFAOYSA-N 0 0 450.632 4.540 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc2cccnc2c1Br ZINC001461787759 1067937267 /nfs/dbraw/zinc/93/72/67/1067937267.db2.gz BEPCYRWNXXFWOA-JTQLQIEISA-N 0 0 451.660 4.932 20 5 JJBDRN O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(Br)c([O-])c(Br)c2)C2CC2)cc1 ZINC001461867527 1067950529 /nfs/dbraw/zinc/95/05/29/1067950529.db2.gz NIBRDEJHCCJPSN-UHFFFAOYSA-N 0 0 456.134 4.990 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(F)c(Cl)cc2I)c1F ZINC001461947158 1067966824 /nfs/dbraw/zinc/96/68/24/1067966824.db2.gz UJXDPIHFQQTXOD-UHFFFAOYSA-N 0 0 452.582 4.692 20 5 JJBDRN CC(C)(C)OC(=O)COc1cccc(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1 ZINC001461949270 1067967516 /nfs/dbraw/zinc/96/75/16/1067967516.db2.gz QZPMPMYYZNMWSF-SFHVURJKSA-N 0 0 455.385 4.776 20 5 JJBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001461968190 1067971467 /nfs/dbraw/zinc/97/14/67/1067971467.db2.gz MTODASSWBDUOOS-PTNGSMBKSA-N 0 0 450.417 4.747 20 5 JJBDRN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001461973949 1067972612 /nfs/dbraw/zinc/97/26/12/1067972612.db2.gz HSYWZBAPBCRTGA-KGLIPLIRSA-N 0 0 452.157 4.816 20 5 JJBDRN COC(=O)[C@@](C)(NC(=O)c1ccc(SCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001462022225 1067982868 /nfs/dbraw/zinc/98/28/68/1067982868.db2.gz NMQIRRUVUISPSE-DEOSSOPVSA-N 0 0 450.516 4.705 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC001462146401 1068014862 /nfs/dbraw/zinc/01/48/62/1068014862.db2.gz NPSPSWFLSAQULL-ZWKOTPCHSA-N 0 0 476.327 4.990 20 5 JJBDRN O=C(NCc1cc(F)c(Br)cc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001462187061 1068024713 /nfs/dbraw/zinc/02/47/13/1068024713.db2.gz SFDAMUHECOEGGH-UHFFFAOYSA-N 0 0 454.252 4.689 20 5 JJBDRN CCCCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC001462259398 1068040241 /nfs/dbraw/zinc/04/02/41/1068040241.db2.gz ATSMGGLWDOWMOZ-UHFFFAOYSA-N 0 0 459.671 4.695 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@@H](c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC001462393061 1068065134 /nfs/dbraw/zinc/06/51/34/1068065134.db2.gz YCTBNDANBQCUBW-CQSZACIVSA-N 0 0 450.438 4.623 20 5 JJBDRN O=[N+]([O-])c1sc(CN2CCc3cc(F)cc(Br)c3C2)cc1Br ZINC001462479911 1068082524 /nfs/dbraw/zinc/08/25/24/1068082524.db2.gz LNSLFCHLVXVCMZ-UHFFFAOYSA-N 0 0 450.127 4.879 20 5 JJBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC001462490866 1068084428 /nfs/dbraw/zinc/08/44/28/1068084428.db2.gz FRXPRUMEEWYWON-UHFFFAOYSA-N 0 0 454.280 4.540 20 5 JJBDRN COc1cccc2c1OCCC[C@@H]2NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001462536696 1068093501 /nfs/dbraw/zinc/09/35/01/1068093501.db2.gz WOPLIYMWCJNPAH-QKLQHJQFSA-N 0 0 453.539 4.729 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001462560802 1068098344 /nfs/dbraw/zinc/09/83/44/1068098344.db2.gz BBWQXNRYOJRRCZ-QGZVFWFLSA-N 0 0 453.539 4.918 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)N2c3ccc(Br)cc3CCC2(C)C)cc1[N+](=O)[O-] ZINC001462591827 1068107122 /nfs/dbraw/zinc/10/71/22/1068107122.db2.gz ZZFDVNZVLGSOFT-UHFFFAOYSA-N 0 0 450.308 4.934 20 5 JJBDRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001462626561 1068116218 /nfs/dbraw/zinc/11/62/18/1068116218.db2.gz JDSBFZUDNMJYBW-UHFFFAOYSA-N 0 0 458.353 4.514 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC001462708329 1068138284 /nfs/dbraw/zinc/13/82/84/1068138284.db2.gz OBJQMNNIPPQOCC-LLVKDONJSA-N 0 0 455.920 4.565 20 5 JJBDRN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001462783890 1068166944 /nfs/dbraw/zinc/16/69/44/1068166944.db2.gz ROHSUXYCTGVCLH-UHFFFAOYSA-N 0 0 450.875 4.791 20 5 JJBDRN Cc1ccc(CN(CCCC(C)C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)o1 ZINC001462796774 1068170137 /nfs/dbraw/zinc/17/01/37/1068170137.db2.gz ZMDLFSVWNSSNGZ-UHFFFAOYSA-N 0 0 457.556 4.855 20 5 JJBDRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001462845494 1068187992 /nfs/dbraw/zinc/18/79/92/1068187992.db2.gz FFEOPHHGNLZZNY-ZDUSSCGKSA-N 0 0 459.337 4.967 20 5 JJBDRN Cc1ccnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C(=O)c1ccccc1F ZINC001462881189 1068201716 /nfs/dbraw/zinc/20/17/16/1068201716.db2.gz QGGPGQMAJSFDIC-UHFFFAOYSA-N 0 0 458.243 4.683 20 5 JJBDRN C[S@@](=O)(=NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1cccc(Br)c1 ZINC001462884152 1068202775 /nfs/dbraw/zinc/20/27/75/1068202775.db2.gz RGRKQNHNEOZQNP-SANMLTNESA-N 0 0 451.220 4.673 20 5 JJBDRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001462949163 1068225771 /nfs/dbraw/zinc/22/57/71/1068225771.db2.gz KNWLPJRQTRQOES-KRWDZBQOSA-N 0 0 458.511 4.565 20 5 JJBDRN CC(C)(C)OC(=O)[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001462954891 1068228768 /nfs/dbraw/zinc/22/87/68/1068228768.db2.gz SDCISAWFQGNGHF-GOSISDBHSA-N 0 0 454.907 4.679 20 5 JJBDRN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001462985012 1068240023 /nfs/dbraw/zinc/24/00/23/1068240023.db2.gz UAHQMZXFASBWPZ-UHFFFAOYSA-N 0 0 452.257 4.931 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC3(CCCC3)c3c2cccc3F)ccc1Br ZINC001463012095 1068250925 /nfs/dbraw/zinc/25/09/25/1068250925.db2.gz XLSACRFSQRFTQR-UHFFFAOYSA-N 0 0 455.305 4.517 20 5 JJBDRN COc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c([N+](=O)[O-])c1 ZINC001463053152 1068266926 /nfs/dbraw/zinc/26/69/26/1068266926.db2.gz ARXKLWQNRNUBQN-UHFFFAOYSA-N 0 0 458.458 4.756 20 5 JJBDRN CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC001463058338 1068269439 /nfs/dbraw/zinc/26/94/39/1068269439.db2.gz FWWWFUVDUKJYBC-UHFFFAOYSA-N 0 0 450.438 4.856 20 5 JJBDRN C[C@@H](CNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001463085693 1068282429 /nfs/dbraw/zinc/28/24/29/1068282429.db2.gz GQFAKDAOUKBXCT-ZDUSSCGKSA-N 0 0 459.428 4.605 20 5 JJBDRN CCOC(=O)c1cc2cc(S(=O)(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)ccc2s1 ZINC001463100174 1068286812 /nfs/dbraw/zinc/28/68/12/1068286812.db2.gz XUACVPUWBWJNKN-UHFFFAOYSA-N 0 0 455.897 4.716 20 5 JJBDRN O=C(CC1CCCCC1)Nc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC001463114418 1068291706 /nfs/dbraw/zinc/29/17/06/1068291706.db2.gz SZYXDUYWHUJHGO-UHFFFAOYSA-N 0 0 457.552 4.645 20 5 JJBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001463115202 1068292214 /nfs/dbraw/zinc/29/22/14/1068292214.db2.gz ULUKJICDDQUDSN-UHFFFAOYSA-N 0 0 459.351 4.522 20 5 JJBDRN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC001463117288 1068293297 /nfs/dbraw/zinc/29/32/97/1068293297.db2.gz PRLCUXKBJWKSTN-OAQYLSRUSA-N 0 0 458.511 4.622 20 5 JJBDRN Cc1c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001463166594 1068308278 /nfs/dbraw/zinc/30/82/78/1068308278.db2.gz JXFIAZCLTMFFCF-UHFFFAOYSA-N 0 0 455.396 4.967 20 5 JJBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC001463223527 1068325953 /nfs/dbraw/zinc/32/59/53/1068325953.db2.gz MHBAJMLYZYIYHH-UHFFFAOYSA-N 0 0 453.358 4.538 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)c1 ZINC001463299835 1068349464 /nfs/dbraw/zinc/34/94/64/1068349464.db2.gz YZFZUKXRWBQQRR-OAQYLSRUSA-N 0 0 454.548 4.927 20 5 JJBDRN Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC001463299947 1068349712 /nfs/dbraw/zinc/34/97/12/1068349712.db2.gz ZZYNPSPZCWSAMU-NRFANRHFSA-N 0 0 454.548 4.927 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC001463319094 1068354250 /nfs/dbraw/zinc/35/42/50/1068354250.db2.gz DJLMRFVSIFLBKA-IBGZPJMESA-N 0 0 452.319 4.673 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CCCSC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC001463363010 1068371946 /nfs/dbraw/zinc/37/19/46/1068371946.db2.gz XNWKUZADLXOAIP-SCLBCKFNSA-N 0 0 454.474 4.673 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)c1 ZINC001463453209 1068403035 /nfs/dbraw/zinc/40/30/35/1068403035.db2.gz RYVMBDBBYWMWJL-UHFFFAOYSA-N 0 0 450.538 4.659 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1C ZINC001463502627 1068421205 /nfs/dbraw/zinc/42/12/05/1068421205.db2.gz IAILWBUPKJYKSH-LJQANCHMSA-N 0 0 456.524 4.568 20 5 JJBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001463523904 1068428055 /nfs/dbraw/zinc/42/80/55/1068428055.db2.gz AEAQVSBWABJVRF-OAHLLOKOSA-N 0 0 456.364 4.727 20 5 JJBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001463523900 1068428084 /nfs/dbraw/zinc/42/80/84/1068428084.db2.gz AEAQVSBWABJVRF-HNNXBMFYSA-N 0 0 456.364 4.727 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])s1 ZINC001463596400 1068460165 /nfs/dbraw/zinc/46/01/65/1068460165.db2.gz BURGUMQMXBSLSI-UHFFFAOYSA-N 0 0 452.451 4.633 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 ZINC001463633509 1068476296 /nfs/dbraw/zinc/47/62/96/1068476296.db2.gz PNNHSQYUBNJYLO-LJQANCHMSA-N 0 0 459.321 4.698 20 5 JJBDRN C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc(Oc2cccnc2)cc1 ZINC001463662910 1068487103 /nfs/dbraw/zinc/48/71/03/1068487103.db2.gz JDVFELQUSNFKIE-LBPRGKRZSA-N 0 0 451.863 4.614 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001463698091 1068497914 /nfs/dbraw/zinc/49/79/14/1068497914.db2.gz YGVBOYLQNDCXTK-GOSISDBHSA-N 0 0 459.351 4.656 20 5 JJBDRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463724910 1068505288 /nfs/dbraw/zinc/50/52/88/1068505288.db2.gz DRPYYOBEVQJTAI-GFCCVEGCSA-N 0 0 457.836 4.704 20 5 JJBDRN Cc1csc(-c2cccc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)n1 ZINC001463734900 1068507617 /nfs/dbraw/zinc/50/76/17/1068507617.db2.gz YQWFKIZWRPABIV-UHFFFAOYSA-N 0 0 450.442 4.887 20 5 JJBDRN Cc1nc(-c2ccccc2)ncc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001463740558 1068508532 /nfs/dbraw/zinc/50/85/32/1068508532.db2.gz BGMNYERAUWNACL-UHFFFAOYSA-N 0 0 454.442 4.832 20 5 JJBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463742053 1068509305 /nfs/dbraw/zinc/50/93/05/1068509305.db2.gz XFBRFHWZIXYZKD-GFCCVEGCSA-N 0 0 453.343 4.504 20 5 JJBDRN CCCc1ccc(-c2nc(NC(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)sc2C)cc1 ZINC001463752543 1068513168 /nfs/dbraw/zinc/51/31/68/1068513168.db2.gz YJNHCDGHICADHY-UHFFFAOYSA-N 0 0 453.524 4.739 20 5 JJBDRN CN([C@@H]1CCCC[C@@H]1c1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463882095 1068555199 /nfs/dbraw/zinc/55/51/99/1068555199.db2.gz GOLJJAOYBXSBHS-RTBURBONSA-N 0 0 453.358 4.704 20 5 JJBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001463928773 1068568087 /nfs/dbraw/zinc/56/80/87/1068568087.db2.gz PFZOCZQYOMFZCJ-UHFFFAOYSA-N 0 0 459.256 4.524 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001464089931 1068611577 /nfs/dbraw/zinc/61/15/77/1068611577.db2.gz MDOIJXZBZNYWDP-KRWDZBQOSA-N 0 0 459.351 4.751 20 5 JJBDRN Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001464098096 1068614719 /nfs/dbraw/zinc/61/47/19/1068614719.db2.gz FVMUGAVPXVZQSG-HNNXBMFYSA-N 0 0 457.943 4.548 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2[N+](=O)[O-])C1 ZINC001464126672 1068624968 /nfs/dbraw/zinc/62/49/68/1068624968.db2.gz ADIHXUUMVORNAG-HDICACEKSA-N 0 0 452.555 4.724 20 5 JJBDRN Nc1c(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001464251497 1068675978 /nfs/dbraw/zinc/67/59/78/1068675978.db2.gz AHRHOFZJEOFVHV-UHFFFAOYSA-N 0 0 459.817 4.530 20 5 JJBDRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1F ZINC001464283618 1068690807 /nfs/dbraw/zinc/69/08/07/1068690807.db2.gz YHGCKHAKJYVJNW-UHFFFAOYSA-N 0 0 455.873 4.597 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001464289303 1068692772 /nfs/dbraw/zinc/69/27/72/1068692772.db2.gz NKZQKBKXMUMYJL-XXBNENTESA-N 0 0 450.535 4.718 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC001464337199 1068711267 /nfs/dbraw/zinc/71/12/67/1068711267.db2.gz ASROKAXPIVPEPC-QGZVFWFLSA-N 0 0 454.239 4.624 20 5 JJBDRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001464567305 1068784185 /nfs/dbraw/zinc/78/41/85/1068784185.db2.gz XHDMLNUQNIDVRL-AUUYWEPGSA-N 0 0 451.292 4.736 20 5 JJBDRN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001464581661 1068790831 /nfs/dbraw/zinc/79/08/31/1068790831.db2.gz CPOFPFSGXPRGBE-UHFFFAOYSA-N 0 0 453.495 4.974 20 5 JJBDRN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)cc2)cc1 ZINC001464659614 1068814839 /nfs/dbraw/zinc/81/48/39/1068814839.db2.gz WXOCCZSJRZAWAD-UHFFFAOYSA-N 0 0 456.458 4.620 20 5 JJBDRN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001464695431 1068827883 /nfs/dbraw/zinc/82/78/83/1068827883.db2.gz KBLUDDDECUWNRG-UHFFFAOYSA-N 0 0 457.683 4.586 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2[N+](=O)[O-])c(C)cc1Br ZINC001464715517 1068836098 /nfs/dbraw/zinc/83/60/98/1068836098.db2.gz ASJHMDGILPXFNQ-UHFFFAOYSA-N 0 0 454.220 4.761 20 5 JJBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@H]12 ZINC001164404512 718849481 /nfs/dbraw/zinc/84/94/81/718849481.db2.gz JLRDSQZKJASKQR-IRXDYDNUSA-N 0 0 456.836 4.666 20 5 JJBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@@H]12 ZINC001164404510 718849718 /nfs/dbraw/zinc/84/97/18/718849718.db2.gz JLRDSQZKJASKQR-DLBZAZTESA-N 0 0 456.836 4.666 20 5 JJBDRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccc([N+](=O)[O-])c5)c4)C[C@@H]3O2)n1 ZINC001164646617 719301909 /nfs/dbraw/zinc/30/19/09/719301909.db2.gz BFVKKYZAVRWCCM-JVPBZIDWSA-N 0 0 491.882 4.903 20 5 JJBDRN 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O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164896722 721488080 /nfs/dbraw/zinc/48/80/80/721488080.db2.gz QGSYQSJFAJMDGP-MRXNPFEDSA-N 0 0 499.909 4.585 20 5 JJBDRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C3)c1 ZINC001164797452 721600287 /nfs/dbraw/zinc/60/02/87/721600287.db2.gz AOYRBFIXXORSLK-UZLBHIALSA-N 0 0 452.889 4.715 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164909083 721740614 /nfs/dbraw/zinc/74/06/14/721740614.db2.gz AVPUCQNBNJHFOG-JPYJTQIMSA-N 0 0 499.905 4.610 20 5 JJBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])C2 ZINC001164909467 721765762 /nfs/dbraw/zinc/76/57/62/721765762.db2.gz AKYWOPAQIXEWJP-UHFFFAOYSA-N 0 0 463.925 4.979 20 5 JJBDRN COC(=O)CCN(C1CCCC1)C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001165051775 721988709 /nfs/dbraw/zinc/98/87/09/721988709.db2.gz YZVVLMKFAHKSJB-UHFFFAOYSA-N 0 0 454.861 4.562 20 5 JJBDRN 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O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001434867924 1064305598 /nfs/dbraw/zinc/30/55/98/1064305598.db2.gz CALAALKCDOCROD-UHFFFAOYSA-N 0 0 454.280 4.540 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC001434920535 1064348162 /nfs/dbraw/zinc/34/81/62/1064348162.db2.gz KHKDSCRVMYJYAP-FQEVSTJZSA-N 0 0 455.518 4.728 20 5 JJBDRN O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001434940549 1064363545 /nfs/dbraw/zinc/36/35/45/1064363545.db2.gz BOBBLUVRPZPGCX-AWEZNQCLSA-N 0 0 458.927 4.885 20 5 JJBDRN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359762649 1064376738 /nfs/dbraw/zinc/37/67/38/1064376738.db2.gz XMASKEYFSROAHM-RARDXLECSA-N 0 0 481.519 4.939 20 5 JJBDRN Cc1cc(C)c2c(c1)N(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC001435022564 1064440309 /nfs/dbraw/zinc/44/03/09/1064440309.db2.gz LNDSOXOTSCZRGV-VWLOTQADSA-N 0 0 453.539 4.931 20 5 JJBDRN CC(C)Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001359786838 1064440830 /nfs/dbraw/zinc/44/08/30/1064440830.db2.gz KUHFOUONZIZHBW-VWLOTQADSA-N 0 0 455.603 4.885 20 5 JJBDRN Cc1nc(CC(C)C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 ZINC001435028348 1064445547 /nfs/dbraw/zinc/44/55/47/1064445547.db2.gz XOOJRCZBHIWCNC-UHFFFAOYSA-N 0 0 456.490 4.539 20 5 JJBDRN CC(C)(Cc1ccccc1Cl)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001359808319 1064479782 /nfs/dbraw/zinc/47/97/82/1064479782.db2.gz WTAYVELCBIJLLI-UHFFFAOYSA-N 0 0 458.683 4.604 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC(C)(C)c1ccccn1 ZINC001359814822 1064493744 /nfs/dbraw/zinc/49/37/44/1064493744.db2.gz BKNPFYSLGSMKGF-UHFFFAOYSA-N 0 0 478.597 4.805 20 5 JJBDRN COCCSc1ccc([C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC001435106487 1064516608 /nfs/dbraw/zinc/51/66/08/1064516608.db2.gz HLSVATDNBAFNLZ-ZDUSSCGKSA-N 0 0 453.358 4.895 20 5 JJBDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001435125885 1064531936 /nfs/dbraw/zinc/53/19/36/1064531936.db2.gz FSHZQWRWSFOVRE-HNNXBMFYSA-N 0 0 458.467 4.575 20 5 JJBDRN O=C(CCC(=O)N1CCc2sccc2C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001435126181 1064532295 /nfs/dbraw/zinc/53/22/95/1064532295.db2.gz WVRRXMBPUAKQOW-UHFFFAOYSA-N 0 0 451.504 4.752 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC1CCC(F)(F)CC1 ZINC001359852587 1064540128 /nfs/dbraw/zinc/54/01/28/1064540128.db2.gz QJMCXGUONXUAJH-UHFFFAOYSA-N 0 0 462.545 4.537 20 5 JJBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001435145601 1064545947 /nfs/dbraw/zinc/54/59/47/1064545947.db2.gz YHVWQWJHKMMJJQ-ZDUSSCGKSA-N 0 0 452.736 4.530 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001435150430 1064550242 /nfs/dbraw/zinc/55/02/42/1064550242.db2.gz ZIZDYRSLMPMRMV-XJKCOSOUSA-N 0 0 450.276 4.606 20 5 JJBDRN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001435155800 1064553058 /nfs/dbraw/zinc/55/30/58/1064553058.db2.gz QDXBIQRIFVWUIV-UHFFFAOYSA-N 0 0 450.539 4.734 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC001359874744 1064565013 /nfs/dbraw/zinc/56/50/13/1064565013.db2.gz HPMOEUJHZHCHFA-QGZVFWFLSA-N 0 0 457.284 4.775 20 5 JJBDRN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435182182 1064573143 /nfs/dbraw/zinc/57/31/43/1064573143.db2.gz CKEZTDXFNDWTDG-CVEARBPZSA-N 0 0 450.520 4.600 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)s2)cc1 ZINC001435188810 1064578570 /nfs/dbraw/zinc/57/85/70/1064578570.db2.gz OLTYOPQEPDKBCD-CYBMUJFWSA-N 0 0 450.520 4.937 20 5 JJBDRN CCN(c1ccccc1)c1ccc(CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC001435193635 1064582382 /nfs/dbraw/zinc/58/23/82/1064582382.db2.gz WSTVAMWWHOBEQW-UHFFFAOYSA-N 0 0 456.506 4.572 20 5 JJBDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2sccc2C1 ZINC001359888464 1064585474 /nfs/dbraw/zinc/58/54/74/1064585474.db2.gz CZKXWNXYOAPOEV-HSZRJFAPSA-N 0 0 455.584 4.665 20 5 JJBDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001359889777 1064588390 /nfs/dbraw/zinc/58/83/90/1064588390.db2.gz PVWUMWWBQSKCJP-OFVILXPXSA-N 0 0 473.618 4.824 20 5 JJBDRN COc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001435202993 1064589482 /nfs/dbraw/zinc/58/94/82/1064589482.db2.gz VFHYKLDOZCBGIV-KRWDZBQOSA-N 0 0 457.508 4.989 20 5 JJBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435202763 1064589699 /nfs/dbraw/zinc/58/96/99/1064589699.db2.gz JPVQDPDIRIMXHZ-BUXKBTBVSA-N 0 0 453.333 4.949 20 5 JJBDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001359891229 1064591637 /nfs/dbraw/zinc/59/16/37/1064591637.db2.gz YSAZWWRUDSMSDD-OAQYLSRUSA-N 0 0 468.385 4.940 20 5 JJBDRN O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001435216559 1064597315 /nfs/dbraw/zinc/59/73/15/1064597315.db2.gz SDKQDSBHFKNWAC-UHFFFAOYSA-N 0 0 453.520 4.676 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001359899477 1064606080 /nfs/dbraw/zinc/60/60/80/1064606080.db2.gz BYJQRSQNPDMVBM-HNNXBMFYSA-N 0 0 454.866 4.978 20 5 JJBDRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001359901624 1064610808 /nfs/dbraw/zinc/61/08/08/1064610808.db2.gz KRBXRKXJFIQRFC-UHFFFAOYSA-N 0 0 455.348 4.667 20 5 JJBDRN CC(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001359901777 1064611252 /nfs/dbraw/zinc/61/12/52/1064611252.db2.gz CSUQJTMSPKPFCV-UHFFFAOYSA-N 0 0 469.977 4.665 20 5 JJBDRN CC(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001359902894 1064616248 /nfs/dbraw/zinc/61/62/48/1064616248.db2.gz WNPKRSIHXRPGLM-UHFFFAOYSA-N 0 0 463.464 4.525 20 5 JJBDRN 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CC(C)CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2sccc2C1 ZINC001359959000 1064730233 /nfs/dbraw/zinc/73/02/33/1064730233.db2.gz NGJYADQLMSGYBT-UHFFFAOYSA-N 0 0 455.584 4.930 20 5 JJBDRN CN(c1ccccc1)C1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001435385465 1064733772 /nfs/dbraw/zinc/73/37/72/1064733772.db2.gz OMTWPCKVRSMHCW-UHFFFAOYSA-N 0 0 453.486 4.833 20 5 JJBDRN CCCS(=O)(=O)c1ccccc1C(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC001435390237 1064735560 /nfs/dbraw/zinc/73/55/60/1064735560.db2.gz QCCQKNIOKAIYJU-UHFFFAOYSA-N 0 0 455.488 4.928 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC001359966225 1064741809 /nfs/dbraw/zinc/74/18/09/1064741809.db2.gz NQMWKAWYBCHROJ-UHFFFAOYSA-N 0 0 453.362 4.532 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC001435454572 1064766690 /nfs/dbraw/zinc/76/66/90/1064766690.db2.gz HPBAATOZGLHMNV-GOSISDBHSA-N 0 0 454.458 4.529 20 5 JJBDRN O=C(CSc1cccs1)Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001435459059 1064769102 /nfs/dbraw/zinc/76/91/02/1064769102.db2.gz JIGHKDWDPGQQOX-UHFFFAOYSA-N 0 0 453.545 4.586 20 5 JJBDRN CC(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001359994933 1064778677 /nfs/dbraw/zinc/77/86/77/1064778677.db2.gz MBRSDACQGODHOR-MRXNPFEDSA-N 0 0 473.965 4.674 20 5 JJBDRN O=C(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001435484087 1064783696 /nfs/dbraw/zinc/78/36/96/1064783696.db2.gz KTHJIDYTYLPIJI-INIZCTEOSA-N 0 0 456.861 4.583 20 5 JJBDRN CSc1cnn(-c2ccccc2)c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435490185 1064786913 /nfs/dbraw/zinc/78/69/13/1064786913.db2.gz BUJVFGJAUMCLTG-UHFFFAOYSA-N 0 0 452.414 4.696 20 5 JJBDRN Cc1c(Br)cc(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1[N+](=O)[O-] ZINC001435523650 1064806343 /nfs/dbraw/zinc/80/63/43/1064806343.db2.gz CIWVZSPAXKCWGT-UHFFFAOYSA-N 0 0 457.328 4.905 20 5 JJBDRN 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O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cn1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001360055228 1064884720 /nfs/dbraw/zinc/88/47/20/1064884720.db2.gz PINOLZCDLCJRER-UHFFFAOYSA-N 0 0 457.368 4.727 20 5 JJBDRN COc1ccc(CSCC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC001360056647 1064888561 /nfs/dbraw/zinc/88/85/61/1064888561.db2.gz FOYVCICUZSYJOU-HXUWFJFHSA-N 0 0 450.532 4.586 20 5 JJBDRN CC(C)COCCCn1c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C ZINC001360074081 1064919885 /nfs/dbraw/zinc/91/98/85/1064919885.db2.gz GODLOULYXHIMII-UHFFFAOYSA-N 0 0 459.591 4.594 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435672976 1064925931 /nfs/dbraw/zinc/92/59/31/1064925931.db2.gz JAPFIBICSDEHOY-UHFFFAOYSA-N 0 0 456.480 4.938 20 5 JJBDRN CN(C(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435676226 1064928693 /nfs/dbraw/zinc/92/86/93/1064928693.db2.gz ZPLUKFFGJUMAMN-BENRWUELSA-N 0 0 455.492 4.943 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC001435685438 1064933311 /nfs/dbraw/zinc/93/33/11/1064933311.db2.gz RPVVPEMVSSOIKP-HXUWFJFHSA-N 0 0 454.914 4.754 20 5 JJBDRN O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435691996 1064938486 /nfs/dbraw/zinc/93/84/86/1064938486.db2.gz UECKPIAVOBBNJM-PZJWPPBQSA-N 0 0 455.829 4.608 20 5 JJBDRN CC(C)CSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001360080773 1064938936 /nfs/dbraw/zinc/93/89/36/1064938936.db2.gz QVAPPHBSTBPQOD-UHFFFAOYSA-N 0 0 490.033 4.934 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001435696351 1064942929 /nfs/dbraw/zinc/94/29/29/1064942929.db2.gz KUABHGMTDFIADK-JTQLQIEISA-N 0 0 457.683 4.502 20 5 JJBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001435719686 1064954068 /nfs/dbraw/zinc/95/40/68/1064954068.db2.gz CABXMIHWVYZCJP-UHFFFAOYSA-N 0 0 457.328 4.747 20 5 JJBDRN 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ZINC001360115958 1064998958 /nfs/dbraw/zinc/99/89/58/1064998958.db2.gz PGLDNQPABVHYFA-GOSISDBHSA-N 0 0 495.584 4.577 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1CCC[C@@H]1CCCCO1 ZINC001360116003 1064999431 /nfs/dbraw/zinc/99/94/31/1064999431.db2.gz QXZOGLFHCYMGFI-QFIPXVFZSA-N 0 0 466.586 4.956 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1CCCc1nccs1 ZINC001360116065 1064999559 /nfs/dbraw/zinc/99/95/59/1064999559.db2.gz SQQFZRVGFBDCGG-UHFFFAOYSA-N 0 0 451.556 4.686 20 5 JJBDRN C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001435803002 1064999971 /nfs/dbraw/zinc/99/99/71/1064999971.db2.gz KPIVEXQAIWFKKS-LBPRGKRZSA-N 0 0 459.384 4.604 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F ZINC001360116422 1065000789 /nfs/dbraw/zinc/00/07/89/1065000789.db2.gz DPTDUBUUOFYQOT-QGZVFWFLSA-N 0 0 473.521 4.748 20 5 JJBDRN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001360117329 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1065053204 /nfs/dbraw/zinc/05/32/04/1065053204.db2.gz CASDZPQBOYZEMT-HXUWFJFHSA-N 0 0 457.408 4.593 20 5 JJBDRN CS(=O)(=O)c1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)ccc1Cl ZINC001435919181 1065063295 /nfs/dbraw/zinc/06/32/95/1065063295.db2.gz AYFVYZNIYNMFAU-UHFFFAOYSA-N 0 0 459.911 4.516 20 5 JJBDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001435926449 1065067126 /nfs/dbraw/zinc/06/71/26/1065067126.db2.gz WDMCNNMVVVMXPT-SNVBAGLBSA-N 0 0 457.708 4.985 20 5 JJBDRN CCN(C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC001435928342 1065067778 /nfs/dbraw/zinc/06/77/78/1065067778.db2.gz VMZSCIYNXCXNTI-UHFFFAOYSA-N 0 0 452.492 4.787 20 5 JJBDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)s1 ZINC001360190445 1065074565 /nfs/dbraw/zinc/07/45/65/1065074565.db2.gz XUNJIVLVXIWBQB-SNVBAGLBSA-N 0 0 454.339 4.994 20 5 JJBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)n1 ZINC001360237024 1065095149 /nfs/dbraw/zinc/09/51/49/1065095149.db2.gz UPXDUAUILJAZCC-UHFFFAOYSA-N 0 0 451.664 4.789 20 5 JJBDRN Cc1ccc(F)c2c1N(C(=O)c1cc([N+](=O)[O-])cc(I)c1C)CCC2 ZINC001360240189 1065095559 /nfs/dbraw/zinc/09/55/59/1065095559.db2.gz QXMMIXQHSSKRBP-UHFFFAOYSA-N 0 0 454.239 4.548 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001435992093 1065096797 /nfs/dbraw/zinc/09/67/97/1065096797.db2.gz DMKGOOQCGXCSNX-ZDUSSCGKSA-N 0 0 455.294 4.725 20 5 JJBDRN C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c2ccccc21 ZINC001436002028 1065102818 /nfs/dbraw/zinc/10/28/18/1065102818.db2.gz MUQCYWKCNXLTFJ-CQSZACIVSA-N 0 0 453.882 4.967 20 5 JJBDRN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1OC1CCCC1 ZINC001360270304 1065112259 /nfs/dbraw/zinc/11/22/59/1065112259.db2.gz AUOSOHRZPJFVBY-UHFFFAOYSA-N 0 0 453.539 4.845 20 5 JJBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001436015068 1065113736 /nfs/dbraw/zinc/11/37/36/1065113736.db2.gz FLOSMTRJOLYYIA-UHFFFAOYSA-N 0 0 452.894 4.559 20 5 JJBDRN CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(F)c2)C1 ZINC001436030035 1065126034 /nfs/dbraw/zinc/12/60/34/1065126034.db2.gz RIBQTJPYYQLFIZ-ZAGZISDZSA-N 0 0 455.486 4.568 20 5 JJBDRN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001360297435 1065131573 /nfs/dbraw/zinc/13/15/73/1065131573.db2.gz TWGFJNKJAXWRIZ-ZDUSSCGKSA-N 0 0 451.426 4.717 20 5 JJBDRN CSc1cccc(C(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC001360297548 1065131581 /nfs/dbraw/zinc/13/15/81/1065131581.db2.gz WPNUGMAKBXSXIR-UHFFFAOYSA-N 0 0 456.545 4.684 20 5 JJBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(c2cccc(Br)c2)CC1 ZINC001436040479 1065135036 /nfs/dbraw/zinc/13/50/36/1065135036.db2.gz NBMLOOUSHIFLRM-UHFFFAOYSA-N 0 0 455.255 4.979 20 5 JJBDRN COc1cc(C(=O)N[C@@H](C)c2ccccc2SC)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001436047539 1065141845 /nfs/dbraw/zinc/14/18/45/1065141845.db2.gz DBNSJFOOGWDIFT-ZDUSSCGKSA-N 0 0 459.549 4.852 20 5 JJBDRN CCOc1cc(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC001436050604 1065144708 /nfs/dbraw/zinc/14/47/08/1065144708.db2.gz IXEWLDGCWNTASO-MRXNPFEDSA-N 0 0 450.772 4.828 20 5 JJBDRN COc1ccc(CC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001436051045 1065145224 /nfs/dbraw/zinc/14/52/24/1065145224.db2.gz SILMESSUXRNFLX-UHFFFAOYSA-N 0 0 456.392 4.532 20 5 JJBDRN O=C(O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001360323284 1065160767 /nfs/dbraw/zinc/16/07/67/1065160767.db2.gz ZXFCNVMUSITDRS-QGZVFWFLSA-N 0 0 457.767 4.903 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001436076712 1065165097 /nfs/dbraw/zinc/16/50/97/1065165097.db2.gz MBXGALAXZZIYKW-QGZVFWFLSA-N 0 0 459.275 4.659 20 5 JJBDRN CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001436080352 1065167177 /nfs/dbraw/zinc/16/71/77/1065167177.db2.gz DXTCRYMHXXSUEI-CYBMUJFWSA-N 0 0 459.549 4.769 20 5 JJBDRN CC(C)O[C@@]1(c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CC2(C)C)CCOC1 ZINC001360329635 1065172293 /nfs/dbraw/zinc/17/22/93/1065172293.db2.gz BEPYIUAEZDDEPK-CPJSRVTESA-N 0 0 471.602 4.688 20 5 JJBDRN CC(C)O[C@@]1(c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CC2(C)C)CCOC1 ZINC001360329637 1065172355 /nfs/dbraw/zinc/17/23/55/1065172355.db2.gz BEPYIUAEZDDEPK-NLFFAJNJSA-N 0 0 471.602 4.688 20 5 JJBDRN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001436099364 1065179290 /nfs/dbraw/zinc/17/92/90/1065179290.db2.gz GRYGUEQFILEWKO-UHFFFAOYSA-N 0 0 456.296 4.686 20 5 JJBDRN O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001436123573 1065197092 /nfs/dbraw/zinc/19/70/92/1065197092.db2.gz NUWKCEFBKMAHIX-UHFFFAOYSA-N 0 0 451.382 4.761 20 5 JJBDRN CC(C)C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCc1ccccc1 ZINC001360368534 1065228431 /nfs/dbraw/zinc/22/84/31/1065228431.db2.gz GTCLNQJIRKPNRP-IBGZPJMESA-N 0 0 453.520 4.606 20 5 JJBDRN COC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC001436196306 1065243744 /nfs/dbraw/zinc/24/37/44/1065243744.db2.gz RLSLALRFCVHZDI-UHFFFAOYSA-N 0 0 451.435 4.504 20 5 JJBDRN COc1cc(OC)cc(Oc2cccc(CNC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001436199606 1065246927 /nfs/dbraw/zinc/24/69/27/1065246927.db2.gz KMIAYELVILEHLX-UHFFFAOYSA-N 0 0 458.417 4.813 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1Cl ZINC001436217082 1065258578 /nfs/dbraw/zinc/25/85/78/1065258578.db2.gz IAUJGQZOAKTRGT-UHFFFAOYSA-N 0 0 456.955 4.897 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1nc2c(cccc2Cl)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001436218558 1065259692 /nfs/dbraw/zinc/25/96/92/1065259692.db2.gz VWPKQGBEYVHATO-OAQYLSRUSA-N 0 0 459.890 4.503 20 5 JJBDRN O=C(Oc1cnc2ccc(Cl)cc2c1)c1ccc(I)c([N+](=O)[O-])c1 ZINC001436227794 1065266227 /nfs/dbraw/zinc/26/62/27/1065266227.db2.gz NJFYHNHPQJDMJQ-UHFFFAOYSA-N 0 0 454.607 4.620 20 5 JJBDRN Cc1cc(OCC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC001436228672 1065267046 /nfs/dbraw/zinc/26/70/46/1065267046.db2.gz QZXMNRXLHAIGBG-NRFANRHFSA-N 0 0 452.429 4.585 20 5 JJBDRN Cc1ccccc1[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001360405052 1065268251 /nfs/dbraw/zinc/26/82/51/1065268251.db2.gz GPUFBHPUBVVHHN-YWZLYKJASA-N 0 0 451.445 4.713 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC001436230388 1065268470 /nfs/dbraw/zinc/26/84/70/1065268470.db2.gz RCEWUXSBPGQUIE-KRWDZBQOSA-N 0 0 459.852 4.612 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC001436231601 1065269291 /nfs/dbraw/zinc/26/92/91/1065269291.db2.gz FHSSVUYSTDMWLT-UHFFFAOYSA-N 0 0 458.683 4.826 20 5 JJBDRN C[C@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(F)c(I)c1 ZINC001436250685 1065275120 /nfs/dbraw/zinc/27/51/20/1065275120.db2.gz SKLUSLRTWCXHFD-ZETCQYMHSA-N 0 0 451.138 4.535 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(Cc4ccccc4)CCOCC3)cc2[N+](=O)[O-])C1 ZINC001436254345 1065276121 /nfs/dbraw/zinc/27/61/21/1065276121.db2.gz FSKKDJMNBUFVFN-PMACEKPBSA-N 0 0 451.567 4.599 20 5 JJBDRN O=C(Nc1cccc2c(Br)ccnc12)c1ccc(Br)cc1[N+](=O)[O-] ZINC001436270263 1065281668 /nfs/dbraw/zinc/28/16/68/1065281668.db2.gz YXMGUUSVWJKHQM-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC001436270625 1065282227 /nfs/dbraw/zinc/28/22/27/1065282227.db2.gz FPCWGURJJYKULZ-CJNGLKHVSA-N 0 0 453.383 4.543 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001360424535 1065292610 /nfs/dbraw/zinc/29/26/10/1065292610.db2.gz ZUKMQGLMKGTSRN-PBFPGSCMSA-N 0 0 450.276 4.606 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001436311103 1065294467 /nfs/dbraw/zinc/29/44/67/1065294467.db2.gz XJELQGGBSAZNRD-IERDGZPVSA-N 0 0 456.564 4.729 20 5 JJBDRN CCOc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1[N+](=O)[O-] ZINC001360434466 1065314476 /nfs/dbraw/zinc/31/44/76/1065314476.db2.gz HZHOLQFUEFDZAS-UHFFFAOYSA-N 0 0 459.300 4.717 20 5 JJBDRN COc1cc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c([N+](=O)[O-])cc1F ZINC001436459087 1065323548 /nfs/dbraw/zinc/32/35/48/1065323548.db2.gz CCLOACOJYWUEFA-UHFFFAOYSA-N 0 0 457.683 4.620 20 5 JJBDRN Cc1cc2cc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)ccc2n(C)c1=O ZINC001436489265 1065333139 /nfs/dbraw/zinc/33/31/39/1065333139.db2.gz JWOMSEUNQMJJBL-MRXNPFEDSA-N 0 0 457.490 4.576 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001436494340 1065335021 /nfs/dbraw/zinc/33/50/21/1065335021.db2.gz ZDELKJFWJISRCA-NRFANRHFSA-N 0 0 459.546 4.528 20 5 JJBDRN O=C(N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1Cl ZINC001436521672 1065341447 /nfs/dbraw/zinc/34/14/47/1065341447.db2.gz UFOORWCFKRMOOW-DENIHFKCSA-N 0 0 456.857 4.568 20 5 JJBDRN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1Cl ZINC001360454031 1065349983 /nfs/dbraw/zinc/34/99/83/1065349983.db2.gz ZLPHLQFQZJMELH-MRXNPFEDSA-N 0 0 458.683 4.980 20 5 JJBDRN CCOC(=O)c1cc2cc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)ccc2s1 ZINC001545899430 1065356850 /nfs/dbraw/zinc/35/68/50/1065356850.db2.gz QPDGLNDVBRMTSG-UHFFFAOYSA-N 0 0 451.460 4.552 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ccc(C2CC2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001436582892 1065380998 /nfs/dbraw/zinc/38/09/98/1065380998.db2.gz IQEVHPCXSHXWSN-DEOSSOPVSA-N 0 0 457.502 4.668 20 5 JJBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001436598695 1065391477 /nfs/dbraw/zinc/39/14/77/1065391477.db2.gz NXFVERDIHYCAEQ-GOSISDBHSA-N 0 0 457.328 4.834 20 5 JJBDRN C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC001436599400 1065392945 /nfs/dbraw/zinc/39/29/45/1065392945.db2.gz JDIGULAWMVLMNC-ZCFIWIBFSA-N 0 0 452.099 4.811 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001436629047 1065406419 /nfs/dbraw/zinc/40/64/19/1065406419.db2.gz MPMTYMKLOAXKDD-BEFAXECRSA-N 0 0 451.951 4.890 20 5 JJBDRN Cc1cc(Cl)c2c(c1)CCCN2C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001436635086 1065409745 /nfs/dbraw/zinc/40/97/45/1065409745.db2.gz JLLQCKRVAZQRKD-UHFFFAOYSA-N 0 0 456.667 4.754 20 5 JJBDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001360498307 1065417469 /nfs/dbraw/zinc/41/74/69/1065417469.db2.gz QQXMKWFSYONVBF-QZTJIDSGSA-N 0 0 455.584 4.656 20 5 JJBDRN CSc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1[N+](=O)[O-] ZINC001436671113 1065421735 /nfs/dbraw/zinc/42/17/35/1065421735.db2.gz PORDFMIIEMGTOP-UHFFFAOYSA-N 0 0 450.538 4.659 20 5 JJBDRN Nc1c(C(=O)N2CCC[C@H]2Cc2ccccc2Br)cc2ccccc2c1[N+](=O)[O-] ZINC001436893643 1065466057 /nfs/dbraw/zinc/46/60/57/1065466057.db2.gz YONBPGOFTVUBJS-INIZCTEOSA-N 0 0 454.324 4.940 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC001436989438 1065489086 /nfs/dbraw/zinc/48/90/86/1065489086.db2.gz PREGXTVZICFKKI-ZDUSSCGKSA-N 0 0 454.708 4.540 20 5 JJBDRN COc1cc(C(=O)NCCCCSc2ccccc2Br)cc([N+](=O)[O-])c1C ZINC001360523341 1065498316 /nfs/dbraw/zinc/49/83/16/1065498316.db2.gz XLRNUDFKXVAMDB-UHFFFAOYSA-N 0 0 453.358 4.977 20 5 JJBDRN COc1cc(C(=O)NC2(c3ccccc3F)CCC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001437072905 1065506311 /nfs/dbraw/zinc/50/63/11/1065506311.db2.gz LRNBWFBPKMQFQU-UHFFFAOYSA-N 0 0 457.483 4.587 20 5 JJBDRN CC(C)CCOc1ccccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001437137014 1065511845 /nfs/dbraw/zinc/51/18/45/1065511845.db2.gz DOIUKNJRCFBPQM-UHFFFAOYSA-N 0 0 454.264 4.877 20 5 JJBDRN COC(=O)Cc1ccccc1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001437139063 1065512573 /nfs/dbraw/zinc/51/25/73/1065512573.db2.gz SKRXCSYTXOATBX-UHFFFAOYSA-N 0 0 450.516 4.700 20 5 JJBDRN Cc1nc2ccccc2n1Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Cl ZINC001360561792 1065551942 /nfs/dbraw/zinc/55/19/42/1065551942.db2.gz NMZZNYQSHRGZIV-UHFFFAOYSA-N 0 0 450.882 4.972 20 5 JJBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001360566358 1065557476 /nfs/dbraw/zinc/55/74/76/1065557476.db2.gz LWJRCKKWOFWBBO-UHFFFAOYSA-N 0 0 459.817 4.947 20 5 JJBDRN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001437526906 1065567704 /nfs/dbraw/zinc/56/77/04/1065567704.db2.gz YIPZMNNBXPWNSH-GOSISDBHSA-N 0 0 459.289 4.693 20 5 JJBDRN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC001360589181 1065593720 /nfs/dbraw/zinc/59/37/20/1065593720.db2.gz VFSCYZBCSRUZFG-SFHVURJKSA-N 0 0 456.524 4.647 20 5 JJBDRN Cc1cc(C[C@H](C)NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n(-c2ccccc2)n1 ZINC001545908981 1065595681 /nfs/dbraw/zinc/59/56/81/1065595681.db2.gz SQAYVRAAOKMXRF-NSHDSACASA-N 0 0 451.285 4.896 20 5 JJBDRN Cc1cc(C[C@@H](C)NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n(-c2ccccc2)n1 ZINC001545908980 1065595707 /nfs/dbraw/zinc/59/57/07/1065595707.db2.gz SQAYVRAAOKMXRF-LLVKDONJSA-N 0 0 451.285 4.896 20 5 JJBDRN Cc1c(CC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cccc1[N+](=O)[O-] ZINC001437776269 1065604659 /nfs/dbraw/zinc/60/46/59/1065604659.db2.gz RLILEHDSSZMJKS-UHFFFAOYSA-N 0 0 451.170 4.885 20 5 JJBDRN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001437873082 1065623198 /nfs/dbraw/zinc/62/31/98/1065623198.db2.gz QKUPUVTWMIAFBN-VWLOTQADSA-N 0 0 456.502 4.618 20 5 JJBDRN COc1cc(C(=O)Nc2cc3ccc(Br)cc3nc2Cl)c([N+](=O)[O-])cc1F ZINC001437953619 1065635286 /nfs/dbraw/zinc/63/52/86/1065635286.db2.gz YTUQNKDEINGZRN-UHFFFAOYSA-N 0 0 454.639 4.959 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cnc(Oc2ccccc2)nc1 ZINC001438097883 1065670676 /nfs/dbraw/zinc/67/06/76/1065670676.db2.gz JHOHUEYEZTXZJA-UHFFFAOYSA-N 0 0 450.398 4.927 20 5 JJBDRN O=C(CSc1ccccc1[N+](=O)[O-])Oc1cccc(OC(F)(F)F)c1Br ZINC001438157671 1065683487 /nfs/dbraw/zinc/68/34/87/1065683487.db2.gz RIKNXGUXDNEYMH-UHFFFAOYSA-N 0 0 452.204 4.954 20 5 JJBDRN COC[C@@H](C)N(C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)c1cc(Cl)ccc1C ZINC001438306321 1065706997 /nfs/dbraw/zinc/70/69/97/1065706997.db2.gz HRRLUROMIRWEJM-QGZVFWFLSA-N 0 0 456.930 4.792 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001438469365 1065723678 /nfs/dbraw/zinc/72/36/78/1065723678.db2.gz XZJVJOYLDKCYPW-SJORKVTESA-N 0 0 457.683 4.718 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001360674308 1065732526 /nfs/dbraw/zinc/73/25/26/1065732526.db2.gz IFTLWSKIXWSWBH-UHFFFAOYSA-N 0 0 456.503 4.732 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001438573679 1065733271 /nfs/dbraw/zinc/73/32/71/1065733271.db2.gz VLAWNGLPCKZIIC-UHFFFAOYSA-N 0 0 456.490 4.969 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001438599690 1065735460 /nfs/dbraw/zinc/73/54/60/1065735460.db2.gz YHBLCZQJMTVUJU-LJQANCHMSA-N 0 0 451.306 4.866 20 5 JJBDRN O=C(Nc1c(F)cc(Cl)cc1Br)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001438656423 1065740945 /nfs/dbraw/zinc/74/09/45/1065740945.db2.gz BDSKDZXYULUUOG-UHFFFAOYSA-N 0 0 457.618 4.727 20 5 JJBDRN CCOC(=O)c1cc(Br)ccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001360720963 1065746783 /nfs/dbraw/zinc/74/67/83/1065746783.db2.gz GCGXDZWPNITISK-UHFFFAOYSA-N 0 0 459.655 4.508 20 5 JJBDRN O=C(Nc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1)OCC(F)(F)F ZINC001360723440 1065750936 /nfs/dbraw/zinc/75/09/36/1065750936.db2.gz SGKKFUCFEQZWDD-KRWDZBQOSA-N 0 0 455.414 4.593 20 5 JJBDRN C[C@](O)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccsc1 ZINC001360724093 1065751539 /nfs/dbraw/zinc/75/15/39/1065751539.db2.gz JGJAECKWQFGJTN-NRFANRHFSA-N 0 0 495.527 4.991 20 5 JJBDRN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC001360725890 1065752633 /nfs/dbraw/zinc/75/26/33/1065752633.db2.gz CGTRDBPUSBRYJI-UHFFFAOYSA-N 0 0 451.704 4.746 20 5 JJBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001438908172 1065765039 /nfs/dbraw/zinc/76/50/39/1065765039.db2.gz NTJSMBCUPLDYMJ-LSDHHAIUSA-N 0 0 459.218 4.676 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001438913089 1065765503 /nfs/dbraw/zinc/76/55/03/1065765503.db2.gz XBUUHIAZMAMHAW-UHFFFAOYSA-N 0 0 451.910 4.790 20 5 JJBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001438912559 1065765606 /nfs/dbraw/zinc/76/56/06/1065765606.db2.gz XRIQNNGKCFBNLS-UHFFFAOYSA-N 0 0 453.161 4.941 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001439099688 1065785890 /nfs/dbraw/zinc/78/58/90/1065785890.db2.gz FAXPQETVDVRABE-HBMCJLEFSA-N 0 0 457.571 4.774 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1C ZINC001360747402 1065789065 /nfs/dbraw/zinc/78/90/65/1065789065.db2.gz QVPDMLAGEUWFFL-UHFFFAOYSA-N 0 0 450.474 4.784 20 5 JJBDRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001439386945 1065822163 /nfs/dbraw/zinc/82/21/63/1065822163.db2.gz BJYRRYCEERAKIK-UHFFFAOYSA-N 0 0 451.504 4.962 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1C(C)=O ZINC001439433135 1065827901 /nfs/dbraw/zinc/82/79/01/1065827901.db2.gz ZVAAKDHFMLCRQP-UHFFFAOYSA-N 0 0 453.314 4.551 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001439586561 1065844913 /nfs/dbraw/zinc/84/49/13/1065844913.db2.gz ZBZDTMFGRXEISC-KRWDZBQOSA-N 0 0 454.548 4.769 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439636305 1065851244 /nfs/dbraw/zinc/85/12/44/1065851244.db2.gz DSZAYHKLJKPZOU-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCc3cc(F)ccc3[N+](=O)[O-])n2c1 ZINC001439709502 1065863263 /nfs/dbraw/zinc/86/32/63/1065863263.db2.gz ZRIWCPKPCGYGLM-UHFFFAOYSA-N 0 0 450.445 4.745 20 5 JJBDRN Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001360771213 1065867956 /nfs/dbraw/zinc/86/79/56/1065867956.db2.gz WJLUCECOOCINEA-UHFFFAOYSA-N 0 0 453.520 4.506 20 5 JJBDRN CC(C)OC(=O)C(C)(C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001439992529 1065900487 /nfs/dbraw/zinc/90/04/87/1065900487.db2.gz WYWSIIJXXKWSFH-UHFFFAOYSA-N 0 0 459.549 4.816 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)Nc2ncc(Oc3ccccc3)cn2)cc1[N+](=O)[O-])c1ccccn1 ZINC001440165547 1065919098 /nfs/dbraw/zinc/91/90/98/1065919098.db2.gz SSGQHSVFGQBMOT-MRXNPFEDSA-N 0 0 456.462 4.998 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)Nc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC001440288322 1065928670 /nfs/dbraw/zinc/92/86/70/1065928670.db2.gz QZIXNJDAAKAQIU-ZDUSSCGKSA-N 0 0 454.870 4.840 20 5 JJBDRN COc1ccc2cc([C@@H](C)OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 ZINC001360820058 1065933122 /nfs/dbraw/zinc/93/31/22/1065933122.db2.gz PXJKBHXHRSJVGG-AUUYWEPGSA-N 0 0 454.504 4.727 20 5 JJBDRN CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC(C)(C)C1)c1ccccn1 ZINC001360821022 1065934343 /nfs/dbraw/zinc/93/43/43/1065934343.db2.gz PCSZJOXKGWESQP-UHFFFAOYSA-N 0 0 452.584 4.558 20 5 JJBDRN CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001440410972 1065939189 /nfs/dbraw/zinc/93/91/89/1065939189.db2.gz GDUKTUMRNJUFLH-CYBMUJFWSA-N 0 0 459.446 4.621 20 5 JJBDRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)CC1 ZINC001360831721 1065943373 /nfs/dbraw/zinc/94/33/73/1065943373.db2.gz ABJUTLMASQNNOW-UHFFFAOYSA-N 0 0 484.601 4.927 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)cc2[N+](=O)[O-])n1 ZINC001360831702 1065943567 /nfs/dbraw/zinc/94/35/67/1065943567.db2.gz HJMOOLTUZBTQPP-UHFFFAOYSA-N 0 0 456.549 4.773 20 5 JJBDRN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC001440560889 1065949693 /nfs/dbraw/zinc/94/96/93/1065949693.db2.gz CUNVNOQVXBZSTN-UHFFFAOYSA-N 0 0 459.911 4.620 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)n1 ZINC001360840685 1065949986 /nfs/dbraw/zinc/94/99/86/1065949986.db2.gz BPFDBRGYKUOYIC-QFIPXVFZSA-N 0 0 454.324 4.949 20 5 JJBDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)ccc2C)c1 ZINC001440576112 1065951369 /nfs/dbraw/zinc/95/13/69/1065951369.db2.gz GJTYSJIXZXDSKZ-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN COc1cc(CCNC(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC001440663237 1065960542 /nfs/dbraw/zinc/96/05/42/1065960542.db2.gz OHUKXVFBBGBGHS-HSZRJFAPSA-N 0 0 454.910 4.756 20 5 JJBDRN O=C(Nc1ccc(OC(=O)c2cc(F)cc(Br)c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001440667950 1065961230 /nfs/dbraw/zinc/96/12/30/1065961230.db2.gz RAVVTVMGIMYPHP-UHFFFAOYSA-N 0 0 459.227 4.968 20 5 JJBDRN CC(C)c1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001440741368 1065974580 /nfs/dbraw/zinc/97/45/80/1065974580.db2.gz XNKCXWNUDOPMBG-UHFFFAOYSA-N 0 0 457.483 4.910 20 5 JJBDRN Nc1c(Br)cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] ZINC001440863901 1065984675 /nfs/dbraw/zinc/98/46/75/1065984675.db2.gz SZHSBKJDGDURQC-UHFFFAOYSA-N 0 0 452.268 4.507 20 5 JJBDRN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001440902056 1065992793 /nfs/dbraw/zinc/99/27/93/1065992793.db2.gz SYRJXZWNAHRIKY-UHFFFAOYSA-N 0 0 459.256 4.524 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001441315688 1066025956 /nfs/dbraw/zinc/02/59/56/1066025956.db2.gz DRTLZLKZJHEKBH-SFHVURJKSA-N 0 0 458.292 4.676 20 5 JJBDRN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC001441329407 1066029612 /nfs/dbraw/zinc/02/96/12/1066029612.db2.gz WRQAOQQIGRIHBM-GOSISDBHSA-N 0 0 452.736 4.578 20 5 JJBDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC001360884307 1066038298 /nfs/dbraw/zinc/03/82/98/1066038298.db2.gz QICKWCNLSRAQHK-UHFFFAOYSA-N 0 0 458.467 4.881 20 5 JJBDRN Cc1nc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCCc2ccccn2)sc1C ZINC001360895635 1066048593 /nfs/dbraw/zinc/04/85/93/1066048593.db2.gz IGXYGUZCFDAHLG-UHFFFAOYSA-N 0 0 477.594 4.633 20 5 JJBDRN CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906672 1066061009 /nfs/dbraw/zinc/06/10/09/1066061009.db2.gz IYAFIMKUXMWNQK-QGZVFWFLSA-N 0 0 457.550 4.577 20 5 JJBDRN Cc1ccsc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001360920368 1066076454 /nfs/dbraw/zinc/07/64/54/1066076454.db2.gz UKSHCJSMLCGVIB-FQEVSTJZSA-N 0 0 455.584 4.717 20 5 JJBDRN Cc1ncsc1CCn1c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C ZINC001360926598 1066083574 /nfs/dbraw/zinc/08/35/74/1066083574.db2.gz UXQISOMCQOCVIC-UHFFFAOYSA-N 0 0 470.599 4.539 20 5 JJBDRN CCCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001360927748 1066083905 /nfs/dbraw/zinc/08/39/05/1066083905.db2.gz LQVMQXSKHPEZEY-JOCHJYFZSA-N 0 0 455.417 4.639 20 5 JJBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC001442102892 1066093371 /nfs/dbraw/zinc/09/33/71/1066093371.db2.gz VUTRVMIDNSETBW-UHFFFAOYSA-N 0 0 456.336 4.880 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCCC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001442112842 1066095697 /nfs/dbraw/zinc/09/56/97/1066095697.db2.gz GFUKVTBORAQWPI-UHFFFAOYSA-N 0 0 459.546 4.990 20 5 JJBDRN COc1cc(C(=O)NCc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001442117347 1066096588 /nfs/dbraw/zinc/09/65/88/1066096588.db2.gz ASUUENJQKLUQKN-UHFFFAOYSA-N 0 0 458.474 4.503 20 5 JJBDRN COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001360938433 1066097184 /nfs/dbraw/zinc/09/71/84/1066097184.db2.gz UVWUDUSVZOXRMT-LLVKDONJSA-N 0 0 453.314 4.572 20 5 JJBDRN COc1ccc(C2(CNC(=O)c3cc(Cl)c([N+](=O)[O-])cc3NC(C)=O)CCCCC2)cc1 ZINC001442133970 1066097251 /nfs/dbraw/zinc/09/72/51/1066097251.db2.gz WKCJJFOLLOWXJA-UHFFFAOYSA-N 0 0 459.930 4.847 20 5 JJBDRN CC(C)COC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC001442227307 1066104326 /nfs/dbraw/zinc/10/43/26/1066104326.db2.gz PNDUSTKASRQUMD-UHFFFAOYSA-N 0 0 450.289 4.743 20 5 JJBDRN CN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001442697632 1066152557 /nfs/dbraw/zinc/15/25/57/1066152557.db2.gz PJCYVEZZNHVRCI-QGZVFWFLSA-N 0 0 455.248 4.775 20 5 JJBDRN CC[C@]1(C)CC[C@@H](Cn2c(CC3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC001546056062 1066221897 /nfs/dbraw/zinc/22/18/97/1066221897.db2.gz ACMWHULCMCLOEX-WIOPSUGQSA-N 0 0 455.603 4.946 20 5 JJBDRN COc1cccc(Nc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cc2)c1 ZINC001454107721 1066246120 /nfs/dbraw/zinc/24/61/20/1066246120.db2.gz VRSXJOSYMLBXTP-UHFFFAOYSA-N 0 0 457.284 4.944 20 5 JJBDRN O=C(Oc1ccc(-c2cscn2)cc1)c1ccc([N+](=O)[O-])cc1I ZINC001361047843 1066276583 /nfs/dbraw/zinc/27/65/83/1066276583.db2.gz KVVHUEZRLAEDJI-UHFFFAOYSA-N 0 0 452.229 4.542 20 5 JJBDRN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1c2c(sc1-n1cccc1)CSCC2 ZINC001454442100 1066282807 /nfs/dbraw/zinc/28/28/07/1066282807.db2.gz SNIFVFKOTWGMIA-UHFFFAOYSA-N 0 0 451.932 4.959 20 5 JJBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC(Cc2ccccc2Br)C1 ZINC001454497331 1066293058 /nfs/dbraw/zinc/29/30/58/1066293058.db2.gz PTJRRMFBYNWXKD-UHFFFAOYSA-N 0 0 458.337 4.796 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CCC(Cc3nccs3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC001454556747 1066300866 /nfs/dbraw/zinc/30/08/66/1066300866.db2.gz RMIBLLVIGZYDLW-MRXNPFEDSA-N 0 0 451.552 4.714 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@@H]3[C@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC001454592172 1066306490 /nfs/dbraw/zinc/30/64/90/1066306490.db2.gz PBZMDCODFRTNSK-YLJYHZDGSA-N 0 0 455.561 4.849 20 5 JJBDRN Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC001361072070 1066312664 /nfs/dbraw/zinc/31/26/64/1066312664.db2.gz UQLNLVVOMKLHAH-INIZCTEOSA-N 0 0 498.609 4.717 20 5 JJBDRN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001361072975 1066313520 /nfs/dbraw/zinc/31/35/20/1066313520.db2.gz XFJKDNNMNUGFQD-UHFFFAOYSA-N 0 0 458.312 4.835 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC001454823238 1066335195 /nfs/dbraw/zinc/33/51/95/1066335195.db2.gz VIEPFQRWQAMQQC-IYBDPMFKSA-N 0 0 457.552 4.779 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001454876798 1066337614 /nfs/dbraw/zinc/33/76/14/1066337614.db2.gz DRCZJVDHMCKWAT-QFBILLFUSA-N 0 0 475.467 4.766 20 5 JJBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC001443632119 1066341057 /nfs/dbraw/zinc/34/10/57/1066341057.db2.gz LMQCUEKHTWUKFZ-UHFFFAOYSA-N 0 0 455.877 4.798 20 5 JJBDRN C[C@@]1(C(F)(F)F)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC001454968870 1066347636 /nfs/dbraw/zinc/34/76/36/1066347636.db2.gz ICVZROCWKWXMAA-IBGZPJMESA-N 0 0 457.836 4.654 20 5 JJBDRN CN(C)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c2ccccc2n1 ZINC001361111523 1066361447 /nfs/dbraw/zinc/36/14/47/1066361447.db2.gz VHLCJCYZNBPWIH-UHFFFAOYSA-N 0 0 455.518 4.751 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC001455117314 1066363720 /nfs/dbraw/zinc/36/37/20/1066363720.db2.gz ZMFOWYVNZUVVDU-LBPRGKRZSA-N 0 0 451.342 4.591 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001443892655 1066381961 /nfs/dbraw/zinc/38/19/61/1066381961.db2.gz OXLHGKJRVIHXIU-QGZVFWFLSA-N 0 0 454.329 4.754 20 5 JJBDRN C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccncc1Br ZINC001455458361 1066392897 /nfs/dbraw/zinc/39/28/97/1066392897.db2.gz PRFJCJDDFRRUIA-SNVBAGLBSA-N 0 0 458.262 4.608 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001455498880 1066398142 /nfs/dbraw/zinc/39/81/42/1066398142.db2.gz YJFDPEHYJPWMAI-IBGZPJMESA-N 0 0 456.543 4.766 20 5 JJBDRN CO[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001361133451 1066403809 /nfs/dbraw/zinc/40/38/09/1066403809.db2.gz RMDZXWCATBASBL-IVZQSRNASA-N 0 0 454.914 4.934 20 5 JJBDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)c1 ZINC001361141721 1066421940 /nfs/dbraw/zinc/42/19/40/1066421940.db2.gz REAFWGAKAXSNAG-HNNXBMFYSA-N 0 0 459.462 4.888 20 5 JJBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC001361142591 1066424222 /nfs/dbraw/zinc/42/42/22/1066424222.db2.gz BZRSFPWXJBXBJM-DLBZAZTESA-N 0 0 459.534 4.963 20 5 JJBDRN Cc1ccc2nc(COc3ccccc3C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC001361146692 1066432105 /nfs/dbraw/zinc/43/21/05/1066432105.db2.gz MNGGBSVEEMKLAA-UHFFFAOYSA-N 0 0 458.518 4.883 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001361146558 1066432215 /nfs/dbraw/zinc/43/22/15/1066432215.db2.gz IDBFRXAVNWLRGV-CYBMUJFWSA-N 0 0 455.736 4.917 20 5 JJBDRN CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001444325702 1066449177 /nfs/dbraw/zinc/44/91/77/1066449177.db2.gz KEJQTZXHXBDOJC-DLBZAZTESA-N 0 0 454.365 4.530 20 5 JJBDRN O=C(c1ccc(-c2cccs2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001455939325 1066456458 /nfs/dbraw/zinc/45/64/58/1066456458.db2.gz LVLDBKHNAYVVIK-UHFFFAOYSA-N 0 0 451.426 4.898 20 5 JJBDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001444468963 1066463105 /nfs/dbraw/zinc/46/31/05/1066463105.db2.gz XJYGDIKVCGHPNX-UHFFFAOYSA-N 0 0 459.955 4.882 20 5 JJBDRN O=C(c1cc(Cl)c(F)cc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361160831 1066466491 /nfs/dbraw/zinc/46/64/91/1066466491.db2.gz BNMMNEKYNBAMRY-UHFFFAOYSA-N 0 0 457.683 4.833 20 5 JJBDRN O=C(Nc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1)c1cccs1 ZINC001361161247 1066467100 /nfs/dbraw/zinc/46/71/00/1066467100.db2.gz JPPHZDQGGBIAQV-UHFFFAOYSA-N 0 0 451.504 4.592 20 5 JJBDRN CN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001455988135 1066467836 /nfs/dbraw/zinc/46/78/36/1066467836.db2.gz YOCCGCFYNFZYQY-KDOFPFPSSA-N 0 0 455.820 4.815 20 5 JJBDRN C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161700 1066467869 /nfs/dbraw/zinc/46/78/69/1066467869.db2.gz VVQSQMIRPIPZAQ-IFMALSPDSA-N 0 0 459.340 4.705 20 5 JJBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001444510646 1066470301 /nfs/dbraw/zinc/47/03/01/1066470301.db2.gz QQFAEJOJTAQNMT-CYBMUJFWSA-N 0 0 454.857 4.953 20 5 JJBDRN CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012812 1066472558 /nfs/dbraw/zinc/47/25/58/1066472558.db2.gz BVCNGBGCULVDCK-VFNWGFHPSA-N 0 0 458.946 4.632 20 5 JJBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001444561397 1066476452 /nfs/dbraw/zinc/47/64/52/1066476452.db2.gz DIPBSTHAPSAWEW-HXUWFJFHSA-N 0 0 457.939 4.958 20 5 JJBDRN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444644653 1066487477 /nfs/dbraw/zinc/48/74/77/1066487477.db2.gz VQVKOMDERQRNQB-SFHVURJKSA-N 0 0 452.898 4.549 20 5 JJBDRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001456057198 1066496563 /nfs/dbraw/zinc/49/65/63/1066496563.db2.gz QFDYAEHPXOAOJQ-QRQCRPRQSA-N 0 0 453.967 4.771 20 5 JJBDRN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC001444728360 1066498053 /nfs/dbraw/zinc/49/80/53/1066498053.db2.gz BKAZUGWFVOHWKI-SGTLLEGYSA-N 0 0 457.836 4.652 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC001444728357 1066498119 /nfs/dbraw/zinc/49/81/19/1066498119.db2.gz BKAZUGWFVOHWKI-KZULUSFZSA-N 0 0 457.836 4.652 20 5 JJBDRN CN(C[C@@H]1CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001444881204 1066516005 /nfs/dbraw/zinc/51/60/05/1066516005.db2.gz QHHLSBAOLQATGT-IBGZPJMESA-N 0 0 454.527 4.810 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001456137143 1066518599 /nfs/dbraw/zinc/51/85/99/1066518599.db2.gz XTBFSFNETPTBDR-FQEVSTJZSA-N 0 0 457.449 4.619 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c1C ZINC001456140666 1066520110 /nfs/dbraw/zinc/52/01/10/1066520110.db2.gz ZNTHIIUDWSFTJP-KJDSRRNHSA-N 0 0 453.539 4.567 20 5 JJBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001361196745 1066524932 /nfs/dbraw/zinc/52/49/32/1066524932.db2.gz CLHMVEVPZBZSBR-FQEVSTJZSA-N 0 0 450.882 4.527 20 5 JJBDRN CC(C)(C)c1ccccc1OCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001456186859 1066533042 /nfs/dbraw/zinc/53/30/42/1066533042.db2.gz LHTSCCSXPQQTCE-UHFFFAOYSA-N 0 0 453.461 4.908 20 5 JJBDRN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC001456212751 1066538627 /nfs/dbraw/zinc/53/86/27/1066538627.db2.gz NNTVGXLGCFFYRQ-UHFFFAOYSA-N 0 0 456.524 4.546 20 5 JJBDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC001445128455 1066540185 /nfs/dbraw/zinc/54/01/85/1066540185.db2.gz QVHXZOYGVBEPQQ-HSZRJFAPSA-N 0 0 450.491 4.900 20 5 JJBDRN CC(C)Nc1ccc(Br)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001445228845 1066546976 /nfs/dbraw/zinc/54/69/76/1066546976.db2.gz WWJVHZWTJFBYOC-UHFFFAOYSA-N 0 0 451.277 4.657 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001456272656 1066551932 /nfs/dbraw/zinc/55/19/32/1066551932.db2.gz ZHJCQBPGGRWQRL-CQSZACIVSA-N 0 0 453.401 4.657 20 5 JJBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001456326283 1066563233 /nfs/dbraw/zinc/56/32/33/1066563233.db2.gz CMQNYPXAESXWDB-ZDUSSCGKSA-N 0 0 452.736 4.530 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456348266 1066566808 /nfs/dbraw/zinc/56/68/08/1066566808.db2.gz ABPKJQGNPLKERQ-XJKCOSOUSA-N 0 0 450.276 4.606 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456348259 1066566827 /nfs/dbraw/zinc/56/68/27/1066566827.db2.gz ABPKJQGNPLKERQ-IOASZLSFSA-N 0 0 450.276 4.606 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cnc(Br)c(Br)c1 ZINC001456395047 1066577649 /nfs/dbraw/zinc/57/76/49/1066577649.db2.gz DUCNFSZJKDCREF-UHFFFAOYSA-N 0 0 450.470 4.696 20 5 JJBDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001361240668 1066582708 /nfs/dbraw/zinc/58/27/08/1066582708.db2.gz OZFHYBQPKKEZSN-HNNXBMFYSA-N 0 0 452.292 4.601 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001456434145 1066585029 /nfs/dbraw/zinc/58/50/29/1066585029.db2.gz UIZYUTLQAYAGSN-OAQYLSRUSA-N 0 0 456.882 4.793 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC001456440178 1066586817 /nfs/dbraw/zinc/58/68/17/1066586817.db2.gz KIRNHKVJBMSSCY-PBNKOMEISA-N 0 0 458.923 4.962 20 5 JJBDRN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001456453926 1066591558 /nfs/dbraw/zinc/59/15/58/1066591558.db2.gz ZUTRTLRASCPUMC-UHFFFAOYSA-N 0 0 458.755 4.766 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2[N+](=O)[O-])cc1 ZINC001445614216 1066595351 /nfs/dbraw/zinc/59/53/51/1066595351.db2.gz UEJXUJZBNXEBCN-QGZVFWFLSA-N 0 0 457.552 4.794 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC001445681955 1066602539 /nfs/dbraw/zinc/60/25/39/1066602539.db2.gz AECNSPQETOTLMY-QHCPKHFHSA-N 0 0 454.910 4.610 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Br)c(Br)c2)cc1[N+](=O)[O-] ZINC001361257924 1066606893 /nfs/dbraw/zinc/60/68/93/1066606893.db2.gz PZEWPVQJLBDNDX-LLVKDONJSA-N 0 0 456.134 4.848 20 5 JJBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC001445703821 1066607038 /nfs/dbraw/zinc/60/70/38/1066607038.db2.gz PMLTTYCRMCSRPR-CYBMUJFWSA-N 0 0 452.433 4.978 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCc2cc(F)ccc21 ZINC001361260443 1066610337 /nfs/dbraw/zinc/61/03/37/1066610337.db2.gz LRKKQZVFEZJWPG-QGZVFWFLSA-N 0 0 455.223 4.881 20 5 JJBDRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1OC ZINC001361267335 1066619364 /nfs/dbraw/zinc/61/93/64/1066619364.db2.gz IITNOYNQOUDPOL-UHFFFAOYSA-N 0 0 456.520 4.567 20 5 JJBDRN CS(=O)(=O)c1ccsc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001456541435 1066619977 /nfs/dbraw/zinc/61/99/77/1066619977.db2.gz GRXSVUXRMDZZAJ-UHFFFAOYSA-N 0 0 452.897 4.758 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(=O)c3cc4c(s3)CCCC4)cc2[N+](=O)[O-])C1 ZINC001456564809 1066626425 /nfs/dbraw/zinc/62/64/25/1066626425.db2.gz MQPOQYQZORBATQ-HOTGVXAUSA-N 0 0 455.580 4.630 20 5 JJBDRN Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC001361272792 1066627600 /nfs/dbraw/zinc/62/76/00/1066627600.db2.gz QBBRAXXOERNKAZ-UHFFFAOYSA-N 0 0 468.970 4.999 20 5 JJBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001456573319 1066629108 /nfs/dbraw/zinc/62/91/08/1066629108.db2.gz ZUXTYVYEOSTNDP-QRQCRPRQSA-N 0 0 456.930 4.616 20 5 JJBDRN Cc1nc(CC(F)(F)F)sc1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001456588255 1066634349 /nfs/dbraw/zinc/63/43/49/1066634349.db2.gz DNVYHRCZCSRRPL-UHFFFAOYSA-N 0 0 453.236 4.513 20 5 JJBDRN CC[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC001456593107 1066636194 /nfs/dbraw/zinc/63/61/94/1066636194.db2.gz DKJNKRLQIABFLX-OAHLLOKOSA-N 0 0 457.328 4.542 20 5 JJBDRN CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001456599308 1066638058 /nfs/dbraw/zinc/63/80/58/1066638058.db2.gz JQSJTMAOLGSGFS-JOCHJYFZSA-N 0 0 451.454 4.557 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001456608357 1066641438 /nfs/dbraw/zinc/64/14/38/1066641438.db2.gz ZXPDNHPVKDETLW-UHFFFAOYSA-N 0 0 456.705 4.674 20 5 JJBDRN CCC[C@H](C)N(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1nc(C)c(C(=O)OCC)s1 ZINC001456635031 1066652830 /nfs/dbraw/zinc/65/28/30/1066652830.db2.gz DRXWRCYATQFNJN-NSHDSACASA-N 0 0 453.492 4.520 20 5 JJBDRN O=C(Nc1nc2ccc3scnc3c2s1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001456680302 1066665119 /nfs/dbraw/zinc/66/51/19/1066665119.db2.gz AEVGNWAWAVGXLI-UHFFFAOYSA-N 0 0 453.274 4.968 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC001456726891 1066675276 /nfs/dbraw/zinc/67/52/76/1066675276.db2.gz MVDGSJYAMLCAGW-SFHVURJKSA-N 0 0 451.523 4.742 20 5 JJBDRN Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC001446281517 1066685247 /nfs/dbraw/zinc/68/52/47/1066685247.db2.gz OWOYXOMRFQZERX-UHFFFAOYSA-N 0 0 450.520 4.772 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001446383062 1066699925 /nfs/dbraw/zinc/69/99/25/1066699925.db2.gz LKRYOKYZAXMZOY-FQEVSTJZSA-N 0 0 457.412 4.912 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)s1 ZINC001492629603 1066701453 /nfs/dbraw/zinc/70/14/53/1066701453.db2.gz DKNRAVOQRUKAOX-CYBMUJFWSA-N 0 0 469.596 4.823 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C)[C@@H]2C)s1 ZINC001492629522 1066701497 /nfs/dbraw/zinc/70/14/97/1066701497.db2.gz CJHNJBPQXAGUMP-VNQPRFMTSA-N 0 0 458.613 4.752 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@@H](C)[C@@H]2C)s1 ZINC001492629521 1066701510 /nfs/dbraw/zinc/70/15/10/1066701510.db2.gz CJHNJBPQXAGUMP-KBMXLJTQSA-N 0 0 458.613 4.752 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@@H](C)[C@H]2C)s1 ZINC001492629519 1066701518 /nfs/dbraw/zinc/70/15/18/1066701518.db2.gz CJHNJBPQXAGUMP-BMFZPTHFSA-N 0 0 458.613 4.752 20 5 JJBDRN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)(C)C ZINC001456866412 1066710268 /nfs/dbraw/zinc/71/02/68/1066710268.db2.gz MJBIWFHAPFZROE-XMMPIXPASA-N 0 0 453.583 4.845 20 5 JJBDRN Cc1coc(C)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001492636571 1066721691 /nfs/dbraw/zinc/72/16/91/1066721691.db2.gz DGPXBSSOUMWWFW-DENIHFKCSA-N 0 0 467.570 4.999 20 5 JJBDRN COc1cc(C(=O)NC[C@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001456919635 1066722300 /nfs/dbraw/zinc/72/23/00/1066722300.db2.gz IRJSSTBDSKHCKJ-INIZCTEOSA-N 0 0 454.454 4.519 20 5 JJBDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1c(F)cccc1F ZINC001456960559 1066729815 /nfs/dbraw/zinc/72/98/15/1066729815.db2.gz PRJJSJUBMILQKY-QFIPXVFZSA-N 0 0 453.445 4.674 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC001456996365 1066738447 /nfs/dbraw/zinc/73/84/47/1066738447.db2.gz WWACKJDZOLFKPT-NRFANRHFSA-N 0 0 455.486 4.607 20 5 JJBDRN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cnc1N1CCCC[C@@H]1C ZINC001446790533 1066740603 /nfs/dbraw/zinc/74/06/03/1066740603.db2.gz FABKMCIXHLPRBB-LBPRGKRZSA-N 0 0 451.296 4.831 20 5 JJBDRN CC1(C)CCC[C@H](c2cccc(NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001457032196 1066748982 /nfs/dbraw/zinc/74/89/82/1066748982.db2.gz RMLZQVLTRHRHFY-SFHVURJKSA-N 0 0 459.568 4.586 20 5 JJBDRN COc1ccc(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(OC)c1 ZINC001446879648 1066752362 /nfs/dbraw/zinc/75/23/62/1066752362.db2.gz PYLROXMLUUGRFZ-UHFFFAOYSA-N 0 0 455.898 4.982 20 5 JJBDRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001457112489 1066764846 /nfs/dbraw/zinc/76/48/46/1066764846.db2.gz MIASGRFPOMYECQ-UHFFFAOYSA-N 0 0 457.943 4.546 20 5 JJBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447117332 1066776149 /nfs/dbraw/zinc/77/61/49/1066776149.db2.gz YVPYPHAAWVHLHC-INIZCTEOSA-N 0 0 456.667 4.830 20 5 JJBDRN Cc1nc(C)c(Cn2c([C@H]3CCCO3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC001492659782 1066776859 /nfs/dbraw/zinc/77/68/59/1066776859.db2.gz CCRAQBMQNJCLDX-LJQANCHMSA-N 0 0 456.572 4.574 20 5 JJBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC001457164184 1066777321 /nfs/dbraw/zinc/77/73/21/1066777321.db2.gz CETIIOGTCOEMAF-UHFFFAOYSA-N 0 0 450.392 4.691 20 5 JJBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001447189266 1066781328 /nfs/dbraw/zinc/78/13/28/1066781328.db2.gz YDXQFXWZMMIORW-UHFFFAOYSA-N 0 0 453.292 4.561 20 5 JJBDRN CC[C@@H]1OCC[C@H]1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001457201941 1066787745 /nfs/dbraw/zinc/78/77/45/1066787745.db2.gz MITPVDBVLRTIHU-DYVFJYSZSA-N 0 0 453.278 4.874 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)C1SCCS1 ZINC001457208963 1066790755 /nfs/dbraw/zinc/79/07/55/1066790755.db2.gz VQJZTBWNMZCJIM-UHFFFAOYSA-N 0 0 459.332 4.865 20 5 JJBDRN CC(C)c1nc([C@H]2CCCCN2C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC001457234568 1066795856 /nfs/dbraw/zinc/79/58/56/1066795856.db2.gz SZOZLHWIXFAECA-OAHLLOKOSA-N 0 0 455.437 4.676 20 5 JJBDRN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001457235065 1066795958 /nfs/dbraw/zinc/79/59/58/1066795958.db2.gz ZTSJSSXDVFYDLX-QFIPXVFZSA-N 0 0 451.523 4.890 20 5 JJBDRN CCCC[C@@H](NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)OC ZINC001447342897 1066796448 /nfs/dbraw/zinc/79/64/48/1066796448.db2.gz BEHPMCOHXYNSHG-OAHLLOKOSA-N 0 0 459.549 4.817 20 5 JJBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 ZINC001457268947 1066800267 /nfs/dbraw/zinc/80/02/67/1066800267.db2.gz UCDHZTYCQYHWNX-UHFFFAOYSA-N 0 0 451.664 4.638 20 5 JJBDRN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001457273439 1066801366 /nfs/dbraw/zinc/80/13/66/1066801366.db2.gz AESCRIQLPVOEKL-UHFFFAOYSA-N 0 0 458.312 4.660 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001447511827 1066817403 /nfs/dbraw/zinc/81/74/03/1066817403.db2.gz NWZWODWWBYWLMY-XMMPIXPASA-N 0 0 458.562 4.944 20 5 JJBDRN O=C(OCc1cc(F)cc(Br)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001457380764 1066819530 /nfs/dbraw/zinc/81/95/30/1066819530.db2.gz DLCCIUHUHSKZQW-UHFFFAOYSA-N 0 0 452.154 4.795 20 5 JJBDRN Cc1nc(CCn2c(Cc3ccncc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC001492689883 1066835523 /nfs/dbraw/zinc/83/55/23/1066835523.db2.gz FJJOWKBSSGHNGU-UHFFFAOYSA-N 0 0 477.594 4.595 20 5 JJBDRN Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC001492692231 1066837471 /nfs/dbraw/zinc/83/74/71/1066837471.db2.gz QINAXXCVYSCPEF-FGZHOGPDSA-N 0 0 498.653 4.791 20 5 JJBDRN CC(C)(NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001457492360 1066842306 /nfs/dbraw/zinc/84/23/06/1066842306.db2.gz GQJUVRRLKZSAND-UHFFFAOYSA-N 0 0 451.483 4.708 20 5 JJBDRN CCOCCOCc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 ZINC001457551577 1066859343 /nfs/dbraw/zinc/85/93/43/1066859343.db2.gz VUQDULACTGCQOE-UHFFFAOYSA-N 0 0 457.708 4.816 20 5 JJBDRN CC(C)CN(Cc1ccccc1Br)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001457566700 1066864117 /nfs/dbraw/zinc/86/41/17/1066864117.db2.gz LWSWJCRSNFTMOV-UHFFFAOYSA-N 0 0 457.328 4.841 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC001457624290 1066884477 /nfs/dbraw/zinc/88/44/77/1066884477.db2.gz CVHWEOBWTCALJQ-UHFFFAOYSA-N 0 0 455.492 4.774 20 5 JJBDRN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1Br ZINC001457634825 1066887974 /nfs/dbraw/zinc/88/79/74/1066887974.db2.gz VXOMGWCDDLHOHD-HXUWFJFHSA-N 0 0 451.280 4.753 20 5 JJBDRN O=C(Nc1cc(-c2ccccc2Br)no1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001457635539 1066888075 /nfs/dbraw/zinc/88/80/75/1066888075.db2.gz ZMPOZAZFPYMHOV-UHFFFAOYSA-N 0 0 454.183 4.866 20 5 JJBDRN CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001448016581 1066890514 /nfs/dbraw/zinc/89/05/14/1066890514.db2.gz IXAVNUXUAAUBEK-MRXNPFEDSA-N 0 0 457.328 4.747 20 5 JJBDRN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001546002768 1066900007 /nfs/dbraw/zinc/90/00/07/1066900007.db2.gz VMCOYPZROFKHRP-GFCCVEGCSA-N 0 0 456.886 4.639 20 5 JJBDRN O=C(Nc1cc(I)ccc1Cl)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001457753361 1066912375 /nfs/dbraw/zinc/91/23/75/1066912375.db2.gz PWNRAIIJGIXJCR-UHFFFAOYSA-N 0 0 456.667 4.913 20 5 JJBDRN O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001457770488 1066915133 /nfs/dbraw/zinc/91/51/33/1066915133.db2.gz OJOXTIJWVIWRSX-UHFFFAOYSA-N 0 0 451.389 4.557 20 5 JJBDRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC001448247870 1066915210 /nfs/dbraw/zinc/91/52/10/1066915210.db2.gz MZGJHOAVMHJFJA-HXUWFJFHSA-N 0 0 459.296 4.521 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC001457804613 1066924019 /nfs/dbraw/zinc/92/40/19/1066924019.db2.gz MCMHCKLRNMCEMV-UHFFFAOYSA-N 0 0 456.524 4.717 20 5 JJBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001457807623 1066925478 /nfs/dbraw/zinc/92/54/78/1066925478.db2.gz ZEEJJDVJWOQSGY-DOMZBBRYSA-N 0 0 455.736 4.916 20 5 JJBDRN CC[C@H](Cc1ccccc1Br)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001457807625 1066925509 /nfs/dbraw/zinc/92/55/09/1066925509.db2.gz ZEEJJDVJWOQSGY-SWLSCSKDSA-N 0 0 455.736 4.916 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448425666 1066926239 /nfs/dbraw/zinc/92/62/39/1066926239.db2.gz CKUKHVCHLAMBRU-HNNXBMFYSA-N 0 0 451.228 4.703 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(-c2ccccc2)nc1C(C)C ZINC001457828456 1066929402 /nfs/dbraw/zinc/92/94/02/1066929402.db2.gz DGZYWPSXGQYXTF-UHFFFAOYSA-N 0 0 454.552 4.572 20 5 JJBDRN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001457836983 1066931066 /nfs/dbraw/zinc/93/10/66/1066931066.db2.gz YILRKWDRTYBVBS-UHFFFAOYSA-N 0 0 459.380 4.518 20 5 JJBDRN Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC001492760808 1066933523 /nfs/dbraw/zinc/93/35/23/1066933523.db2.gz SHYPUMCZCZVYCP-UWJYYQICSA-N 0 0 451.575 4.772 20 5 JJBDRN Cc1ccc(-n2nc(C(=O)Nc3ccc([N+](=O)[O-])c(Br)c3)c3c2CCC3)c(C)c1 ZINC001457993363 1066954161 /nfs/dbraw/zinc/95/41/61/1066954161.db2.gz KJTKBCSSTMHHFC-UHFFFAOYSA-N 0 0 455.312 4.901 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001458050202 1066961177 /nfs/dbraw/zinc/96/11/77/1066961177.db2.gz PXHCOHBOBDKNAS-CYBMUJFWSA-N 0 0 456.362 4.561 20 5 JJBDRN O=[N+]([O-])c1c(N2CCN(Cc3ccc(Br)s3)CC2)cccc1C(F)(F)F ZINC001458063702 1066965391 /nfs/dbraw/zinc/96/53/91/1066965391.db2.gz ZHHLMGJGOUFOEU-UHFFFAOYSA-N 0 0 450.280 4.760 20 5 JJBDRN CN(Cc1cnn(Cc2ccccc2)c1)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001458081679 1066969968 /nfs/dbraw/zinc/96/99/68/1066969968.db2.gz MRXQZJCLPSLVOT-UHFFFAOYSA-N 0 0 452.312 4.787 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC001458097970 1066974494 /nfs/dbraw/zinc/97/44/94/1066974494.db2.gz WTZIBGXMKKOFAC-UHFFFAOYSA-N 0 0 450.488 4.680 20 5 JJBDRN O=[N+]([O-])c1cnc(NC[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)nc1 ZINC001458097387 1066974651 /nfs/dbraw/zinc/97/46/51/1066974651.db2.gz ASXOVJDDDMKELC-KRWDZBQOSA-N 0 0 450.351 4.965 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)s1 ZINC001458105158 1066977011 /nfs/dbraw/zinc/97/70/11/1066977011.db2.gz BBLFFXUVUGPGPB-UHFFFAOYSA-N 0 0 455.487 4.516 20 5 JJBDRN CC[C@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(OC)OC ZINC001449013332 1066977495 /nfs/dbraw/zinc/97/74/95/1066977495.db2.gz MQWZALBNCLOYGU-QCUIPMNBSA-N 0 0 455.536 4.649 20 5 JJBDRN C[C@H](CO)N(Cc1ccccc1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001449031596 1066978101 /nfs/dbraw/zinc/97/81/01/1066978101.db2.gz NJWGSNSVOZIPIC-QGZVFWFLSA-N 0 0 453.926 4.884 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cc1OC ZINC001458119158 1066981209 /nfs/dbraw/zinc/98/12/09/1066981209.db2.gz PICZQPOQNIEKBN-UHFFFAOYSA-N 0 0 459.462 4.707 20 5 JJBDRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001449146775 1066985417 /nfs/dbraw/zinc/98/54/17/1066985417.db2.gz IGBIXPBMGMLINB-INIZCTEOSA-N 0 0 450.308 4.512 20 5 JJBDRN CCOc1ccc([C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2cccc(Cl)c2)cc1 ZINC001458152817 1066989127 /nfs/dbraw/zinc/98/91/27/1066989127.db2.gz CKPHOJDGYLDTKJ-DEOSSOPVSA-N 0 0 453.926 4.989 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001458155588 1066990573 /nfs/dbraw/zinc/99/05/73/1066990573.db2.gz ANLCEGHPARBHJK-LBPRGKRZSA-N 0 0 459.549 4.816 20 5 JJBDRN CCC1(CC)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)c2ccccc21 ZINC001458158411 1066992125 /nfs/dbraw/zinc/99/21/25/1066992125.db2.gz IGDLPXINJWNNJI-UHFFFAOYSA-N 0 0 450.276 4.918 20 5 JJBDRN CC[C@H](c1ccc(Br)cc1)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001458164121 1066993706 /nfs/dbraw/zinc/99/37/06/1066993706.db2.gz BKOCWHNIJMIVGB-GOSISDBHSA-N 0 0 456.344 4.574 20 5 JJBDRN COc1ccc(CN(Cc2ccc(OC)cc2)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1 ZINC001458166210 1066993932 /nfs/dbraw/zinc/99/39/32/1066993932.db2.gz QATHFZASHIHGAP-UHFFFAOYSA-N 0 0 450.417 4.571 20 5 JJBDRN CC1(C)CN([C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC001458166586 1066993997 /nfs/dbraw/zinc/99/39/97/1066993997.db2.gz RYFLEBUANFSTTF-QGZVFWFLSA-N 0 0 458.868 4.926 20 5 JJBDRN C[C@H](c1ccc(Br)cc1)N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001458177919 1066997987 /nfs/dbraw/zinc/99/79/87/1066997987.db2.gz IERNCYPYLFKHMJ-GFCCVEGCSA-N 0 0 459.266 4.654 20 5 JJBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001458184360 1066999354 /nfs/dbraw/zinc/99/93/54/1066999354.db2.gz QRDHSCUWSMDQRU-NSHDSACASA-N 0 0 456.134 4.882 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H](C)[S@@]1=O ZINC001449336255 1067001188 /nfs/dbraw/zinc/00/11/88/1067001188.db2.gz YCVNYUIETULPHE-RDYUYVNCSA-N 0 0 452.985 4.771 20 5 JJBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001449355878 1067002630 /nfs/dbraw/zinc/00/26/30/1067002630.db2.gz JFQHJBKAPGJFTO-NRFANRHFSA-N 0 0 455.308 4.733 20 5 JJBDRN Cc1ccc(S(=O)(=O)NC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)c2ccccc2)c(C)c1 ZINC001458219018 1067006247 /nfs/dbraw/zinc/00/62/47/1067006247.db2.gz GXEULVOKKQZGFV-OAQYLSRUSA-N 0 0 457.527 4.791 20 5 JJBDRN COCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1 ZINC001449398171 1067006353 /nfs/dbraw/zinc/00/63/53/1067006353.db2.gz BOAHZKOSQSGAPR-QGZVFWFLSA-N 0 0 450.278 4.663 20 5 JJBDRN CO[C@H](C)c1nc(CN2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)cs1 ZINC001458229493 1067007808 /nfs/dbraw/zinc/00/78/08/1067007808.db2.gz JPOYVQCQUDYCKN-QGZVFWFLSA-N 0 0 453.568 4.533 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC001458234765 1067009396 /nfs/dbraw/zinc/00/93/96/1067009396.db2.gz XSYSLZGAGLNPNZ-UHFFFAOYSA-N 0 0 452.854 4.633 20 5 JJBDRN Cc1cc(N2CCCC[C@H]2C)ccc1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001458250956 1067012131 /nfs/dbraw/zinc/01/21/31/1067012131.db2.gz CTLFCUUQBDNCHF-GOSISDBHSA-N 0 0 458.584 4.810 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(I)cc1F ZINC001458297222 1067024715 /nfs/dbraw/zinc/02/47/15/1067024715.db2.gz QORCFOANZBMYIQ-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN CCOC(=O)c1ccnc(Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1[N+](=O)[O-] ZINC001458307281 1067025627 /nfs/dbraw/zinc/02/56/27/1067025627.db2.gz SDVNAWUBWIFPMA-UHFFFAOYSA-N 0 0 458.833 4.955 20 5 JJBDRN CNS(=O)(=O)c1ccc(NCC2(c3ccc(Cl)cc3Cl)CCCC2)c([N+](=O)[O-])c1 ZINC001458308177 1067026170 /nfs/dbraw/zinc/02/61/70/1067026170.db2.gz YOYOQFNFFCUJIM-UHFFFAOYSA-N 0 0 458.367 4.734 20 5 JJBDRN Cc1ccc(N2C[C@@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CCC2=O)cc1C ZINC001458319880 1067029577 /nfs/dbraw/zinc/02/95/77/1067029577.db2.gz OEYPIRAZPDLFKD-NBGIEHNGSA-N 0 0 459.502 4.682 20 5 JJBDRN Cc1cc(Br)cc2c1CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001458327917 1067031993 /nfs/dbraw/zinc/03/19/93/1067031993.db2.gz ZRROFCINMKDHPD-GFCCVEGCSA-N 0 0 453.720 4.671 20 5 JJBDRN O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC001458329183 1067032187 /nfs/dbraw/zinc/03/21/87/1067032187.db2.gz HHJDDFGRNJFAHO-UHFFFAOYSA-N 0 0 459.371 4.932 20 5 JJBDRN COc1cc(N[C@H](C)CCc2ccc(I)cc2)c([N+](=O)[O-])cc1OC ZINC001458356103 1067041200 /nfs/dbraw/zinc/04/12/00/1067041200.db2.gz AMPVFVPHRQMVGF-GFCCVEGCSA-N 0 0 456.280 4.650 20 5 JJBDRN CCc1ccc([C@@H]2CCCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])C2)cc1 ZINC001458368849 1067043645 /nfs/dbraw/zinc/04/36/45/1067043645.db2.gz NAWUGYPFYFIZLH-OAQYLSRUSA-N 0 0 457.596 4.716 20 5 JJBDRN CCc1ccc([C@H]2CCCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])C2)cc1 ZINC001458368847 1067043659 /nfs/dbraw/zinc/04/36/59/1067043659.db2.gz NAWUGYPFYFIZLH-NRFANRHFSA-N 0 0 457.596 4.716 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC001458372407 1067045041 /nfs/dbraw/zinc/04/50/41/1067045041.db2.gz ZSPOKGHUIFOCMN-UHFFFAOYSA-N 0 0 454.552 4.558 20 5 JJBDRN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398805 1067051896 /nfs/dbraw/zinc/05/18/96/1067051896.db2.gz ZBHOQXMYMRWMBI-UYAOXDASSA-N 0 0 459.428 4.603 20 5 JJBDRN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1OCCCO ZINC001458409208 1067054882 /nfs/dbraw/zinc/05/48/82/1067054882.db2.gz UNAOZTGOBDCWFA-NSHDSACASA-N 0 0 452.330 4.901 20 5 JJBDRN O=C(O[C@H](c1cc(Br)cs1)C(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001458431320 1067059032 /nfs/dbraw/zinc/05/90/32/1067059032.db2.gz ABOMWARSSIQIPK-GFCCVEGCSA-N 0 0 454.176 4.608 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)SC ZINC001545772815 1067062228 /nfs/dbraw/zinc/06/22/28/1067062228.db2.gz NHFIVBXDGVSSBH-NRFANRHFSA-N 0 0 498.657 4.825 20 5 JJBDRN COc1cc(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC001458475668 1067071487 /nfs/dbraw/zinc/07/14/87/1067071487.db2.gz IRTDXNPEPAFEAR-UHFFFAOYSA-N 0 0 452.414 4.712 20 5 JJBDRN CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001458488219 1067073461 /nfs/dbraw/zinc/07/34/61/1067073461.db2.gz NVEQGVDLTLIFEO-SFHVURJKSA-N 0 0 450.825 4.553 20 5 JJBDRN COc1cc(Br)ccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC001458488338 1067073673 /nfs/dbraw/zinc/07/36/73/1067073673.db2.gz DXQXKBWPICORAF-CQSZACIVSA-N 0 0 457.122 4.865 20 5 JJBDRN O=C(N[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001458498107 1067074960 /nfs/dbraw/zinc/07/49/60/1067074960.db2.gz QACGOFCAJPPKBW-RTBURBONSA-N 0 0 470.451 4.698 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(CCOCc4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC001458502618 1067076176 /nfs/dbraw/zinc/07/61/76/1067076176.db2.gz VBQNJKPCHSKEAU-BGYRXZFFSA-N 0 0 451.567 4.946 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001458501753 1067076280 /nfs/dbraw/zinc/07/62/80/1067076280.db2.gz LEAZIRSCTKQKPA-ZDUSSCGKSA-N 0 0 456.337 4.723 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC(O)(c2cccc(Br)c2)C1 ZINC001458508649 1067078408 /nfs/dbraw/zinc/07/84/08/1067078408.db2.gz HXGGTYJHVDIEKM-UHFFFAOYSA-N 0 0 451.626 4.737 20 5 JJBDRN Cc1ccc(Br)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC001458522696 1067080289 /nfs/dbraw/zinc/08/02/89/1067080289.db2.gz OQVPABGTDDQXRW-UHFFFAOYSA-N 0 0 457.122 4.503 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCN(CC(F)(F)F)[C@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC001458522731 1067080363 /nfs/dbraw/zinc/08/03/63/1067080363.db2.gz REIASKLARNLBFJ-OAHLLOKOSA-N 0 0 453.486 4.763 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1(c2ccc(F)cc2F)CCCCC1 ZINC001458544460 1067085104 /nfs/dbraw/zinc/08/51/04/1067085104.db2.gz WKVVWTWAXAPGED-UHFFFAOYSA-N 0 0 459.449 4.537 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C3CCC3)[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458546832 1067085799 /nfs/dbraw/zinc/08/57/99/1067085799.db2.gz JCHOQMTTZBOOOE-JPYJTQIMSA-N 0 0 459.568 4.630 20 5 JJBDRN C[C@H](O)C[C@H]1CCCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001546023991 1067086541 /nfs/dbraw/zinc/08/65/41/1067086541.db2.gz RIPFRSMKDDITIV-WKMQTEFXSA-N 0 0 451.548 4.897 20 5 JJBDRN CNc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001450542907 1067088271 /nfs/dbraw/zinc/08/82/71/1067088271.db2.gz PNDHMGHUTHMOSG-HNNXBMFYSA-N 0 0 450.470 4.827 20 5 JJBDRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001450542169 1067088605 /nfs/dbraw/zinc/08/86/05/1067088605.db2.gz FINGWQQXLNZJOG-SNVBAGLBSA-N 0 0 452.310 4.854 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC001458569236 1067089571 /nfs/dbraw/zinc/08/95/71/1067089571.db2.gz FKSXHQCAQQJLFR-HNNXBMFYSA-N 0 0 459.465 4.832 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2noc3ccccc32)c([N+](=O)[O-])c1 ZINC001458577237 1067090269 /nfs/dbraw/zinc/09/02/69/1067090269.db2.gz IXFNNPDHLRDKLC-UHFFFAOYSA-N 0 0 452.492 4.563 20 5 JJBDRN Cn1c(=O)c([N+](=O)[O-])c(NCc2cc(C(F)(F)F)ccc2Br)c2ccccc21 ZINC001458593385 1067091736 /nfs/dbraw/zinc/09/17/36/1067091736.db2.gz VQUHYSUENITGJR-UHFFFAOYSA-N 0 0 456.218 4.840 20 5 JJBDRN Nc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001458617911 1067096490 /nfs/dbraw/zinc/09/64/90/1067096490.db2.gz LJKATQVMUSLFFB-UHFFFAOYSA-N 0 0 452.106 4.862 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458621113 1067097104 /nfs/dbraw/zinc/09/71/04/1067097104.db2.gz HPSJNTQLSBQZDN-LBPRGKRZSA-N 0 0 458.729 4.671 20 5 JJBDRN CCC(CC)[C@H](CCn1c(-c2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001545798330 1067099645 /nfs/dbraw/zinc/09/96/45/1067099645.db2.gz JHZWMLLQPXXWJB-QHCPKHFHSA-N 0 0 464.570 4.652 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)cc1C ZINC001450686830 1067103135 /nfs/dbraw/zinc/10/31/35/1067103135.db2.gz NAZVQEHNUPBZBI-UHFFFAOYSA-N 0 0 453.520 4.882 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC001450982409 1067137963 /nfs/dbraw/zinc/13/79/63/1067137963.db2.gz BPJQQTLLPHSHQJ-KRWDZBQOSA-N 0 0 459.325 4.853 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458771810 1067138534 /nfs/dbraw/zinc/13/85/34/1067138534.db2.gz DMSMLLSIICIOEN-RDJZCZTQSA-N 0 0 458.433 4.881 20 5 JJBDRN CN1CC[C@H](CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)C1=O ZINC001458825222 1067158499 /nfs/dbraw/zinc/15/84/99/1067158499.db2.gz IXTFVBRMZCRSTQ-GFCCVEGCSA-N 0 0 450.442 4.523 20 5 JJBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001546030496 1067161433 /nfs/dbraw/zinc/16/14/33/1067161433.db2.gz JTOPQSCMXYVRGG-VIFPVBQESA-N 0 0 457.122 4.535 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001451519066 1067176137 /nfs/dbraw/zinc/17/61/37/1067176137.db2.gz AEMIUWVZFHYSGQ-JKDFXYPNSA-N 0 0 463.428 4.537 20 5 JJBDRN CN(CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1)C(=O)OC(C)(C)C ZINC001545838474 1067191343 /nfs/dbraw/zinc/19/13/43/1067191343.db2.gz PDZCXMMYHFLTPX-UHFFFAOYSA-N 0 0 459.465 4.723 20 5 JJBDRN CCc1sc(=O)n(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC001458951544 1067206369 /nfs/dbraw/zinc/20/63/69/1067206369.db2.gz VJQRHOQNAHCYEE-UHFFFAOYSA-N 0 0 450.463 4.748 20 5 JJBDRN O=C(COc1ccc(Br)cc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001458952131 1067206879 /nfs/dbraw/zinc/20/68/79/1067206879.db2.gz YVVNSHLJYJHWPZ-IBGZPJMESA-N 0 0 455.308 4.836 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001452265046 1067216737 /nfs/dbraw/zinc/21/67/37/1067216737.db2.gz CPMOKWBTGFOHKN-RBUKOAKNSA-N 0 0 474.941 4.601 20 5 JJBDRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001459003783 1067227230 /nfs/dbraw/zinc/22/72/30/1067227230.db2.gz ZGTOGFLYGAEOIR-OAHLLOKOSA-N 0 0 458.190 4.508 20 5 JJBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001459029904 1067233271 /nfs/dbraw/zinc/23/32/71/1067233271.db2.gz FYHRBSNEOSIWEE-KZULUSFZSA-N 0 0 453.720 4.542 20 5 JJBDRN Cn1c(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1C(F)F ZINC001459039840 1067236801 /nfs/dbraw/zinc/23/68/01/1067236801.db2.gz LCGMIFVUPNLEAR-CQSZACIVSA-N 0 0 453.858 4.786 20 5 JJBDRN CCCOc1ccc(COC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c(C)c1 ZINC001452610829 1067236956 /nfs/dbraw/zinc/23/69/56/1067236956.db2.gz NKFAXHMLMLSKIN-UHFFFAOYSA-N 0 0 451.317 4.634 20 5 JJBDRN COc1cccc(-c2nnc(COc3c4cc(Br)ccc4ncc3[N+](=O)[O-])o2)c1 ZINC001459043193 1067237894 /nfs/dbraw/zinc/23/78/94/1067237894.db2.gz ZXRVXMYIEACERL-UHFFFAOYSA-N 0 0 457.240 4.543 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)C1(c2ccc(F)cc2)CCCC1 ZINC001459075509 1067245923 /nfs/dbraw/zinc/24/59/23/1067245923.db2.gz QWSPFPSPSSCXQV-UHFFFAOYSA-N 0 0 455.223 4.756 20 5 JJBDRN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001452759618 1067248951 /nfs/dbraw/zinc/24/89/51/1067248951.db2.gz BOFZQXULQJUJIR-GOSISDBHSA-N 0 0 455.898 4.720 20 5 JJBDRN Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)nc1-c1ccc(Cl)cc1 ZINC001459098847 1067250148 /nfs/dbraw/zinc/25/01/48/1067250148.db2.gz FSPNRFGHCTZGFL-UHFFFAOYSA-N 0 0 454.895 4.634 20 5 JJBDRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001452896750 1067260810 /nfs/dbraw/zinc/26/08/10/1067260810.db2.gz LJBZRVGCZHNZSZ-LJQANCHMSA-N 0 0 457.502 4.539 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(COc2c(F)cccc2Br)c1 ZINC001459186119 1067267464 /nfs/dbraw/zinc/26/74/64/1067267464.db2.gz GAASIGSIOUMWDK-UHFFFAOYSA-N 0 0 452.017 4.680 20 5 JJBDRN CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)CCO2 ZINC001459221946 1067272841 /nfs/dbraw/zinc/27/28/41/1067272841.db2.gz NSNJLTUNSRBYQU-LLGFUMIMSA-N 0 0 453.539 4.729 20 5 JJBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996639 1067272913 /nfs/dbraw/zinc/27/29/13/1067272913.db2.gz WYSSEBLOAPTRJZ-UHFFFAOYSA-N 0 0 459.127 4.627 20 5 JJBDRN CCOC(=O)c1cnc2ccc(OC)cc2c1OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001459291936 1067284068 /nfs/dbraw/zinc/28/40/68/1067284068.db2.gz VPACWXWBSIZREQ-UHFFFAOYSA-N 0 0 450.369 4.926 20 5 JJBDRN CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 ZINC001453271753 1067293031 /nfs/dbraw/zinc/29/30/31/1067293031.db2.gz UFWAZBKLDFKRBD-UHFFFAOYSA-N 0 0 454.914 4.627 20 5 JJBDRN COc1cc(C)c([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2I)cc1C ZINC001459320678 1067293992 /nfs/dbraw/zinc/29/39/92/1067293992.db2.gz LPXKWKKDIXHYJJ-GFCCVEGCSA-N 0 0 455.248 4.743 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC001459336886 1067297981 /nfs/dbraw/zinc/29/79/81/1067297981.db2.gz PXZFTGDWNVDERY-QGZVFWFLSA-N 0 0 452.236 4.594 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)NCC(C)(C)c3cccc(Cl)c3F)cc2)c(C)c1[N+](=O)[O-] ZINC001459369854 1067305403 /nfs/dbraw/zinc/30/54/03/1067305403.db2.gz XEOUIWCPSGMFID-UHFFFAOYSA-N 0 0 458.921 4.957 20 5 JJBDRN O=C(NC[C@H](CO)CC1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001453448370 1067306733 /nfs/dbraw/zinc/30/67/33/1067306733.db2.gz SBHRAHNVYJFRCH-CQSZACIVSA-N 0 0 454.470 4.903 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@H](CO)CC1CC1 ZINC001453446428 1067306875 /nfs/dbraw/zinc/30/68/75/1067306875.db2.gz QMHKSUZLGGYGED-LSCADSNKSA-N 0 0 451.548 4.660 20 5 JJBDRN COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001459385585 1067309754 /nfs/dbraw/zinc/30/97/54/1067309754.db2.gz HDXHIQKPUBGBMF-CYBMUJFWSA-N 0 0 459.852 4.915 20 5 JJBDRN COc1cccc(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1OCc1ccccc1F ZINC001459411682 1067316074 /nfs/dbraw/zinc/31/60/74/1067316074.db2.gz GEWVNXSWRITDGO-NTCAYCPXSA-N 0 0 450.466 4.993 20 5 JJBDRN COC(=O)c1c[nH]c2cc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)ccc12 ZINC001453602175 1067317603 /nfs/dbraw/zinc/31/76/03/1067317603.db2.gz GMSUUIBEXQSHOX-GJZGRUSLSA-N 0 0 450.495 4.597 20 5 JJBDRN O=C(OCc1c(F)ccc(Br)c1F)c1cc([N+](=O)[O-])ccc1Br ZINC001459423394 1067321539 /nfs/dbraw/zinc/32/15/39/1067321539.db2.gz APVVPQFFJOKLPA-UHFFFAOYSA-N 0 0 451.017 4.755 20 5 JJBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1 ZINC001459436355 1067324780 /nfs/dbraw/zinc/32/47/80/1067324780.db2.gz HFQATXYUJCSLCF-UHFFFAOYSA-N 0 0 450.491 4.601 20 5 JJBDRN CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC001453898637 1067334864 /nfs/dbraw/zinc/33/48/64/1067334864.db2.gz OAQPUUDDHLREML-UHFFFAOYSA-N 0 0 455.902 4.586 20 5 JJBDRN C[C@H]1SCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1c1ccccc1 ZINC001459491533 1067337428 /nfs/dbraw/zinc/33/74/28/1067337428.db2.gz RHKNCUYLDVBAKG-VFNWGFHPSA-N 0 0 454.577 4.835 20 5 JJBDRN O=C(Nc1ccc(Cl)c2ccncc12)c1cc([N+](=O)[O-])ccc1I ZINC001459509768 1067341385 /nfs/dbraw/zinc/34/13/85/1067341385.db2.gz GSVIOBIIHYKEFF-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)c1 ZINC001459515499 1067342671 /nfs/dbraw/zinc/34/26/71/1067342671.db2.gz PFDRODOJMPBOEP-JOCHJYFZSA-N 0 0 458.440 4.624 20 5 JJBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001459586271 1067357368 /nfs/dbraw/zinc/35/73/68/1067357368.db2.gz SYJRRWHOKQKBKM-SWLSCSKDSA-N 0 0 459.218 4.584 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC001459586311 1067357381 /nfs/dbraw/zinc/35/73/81/1067357381.db2.gz LCOQVKNYHYERGB-UHFFFAOYSA-N 0 0 452.463 4.842 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc2c(cc1Br)CCC2 ZINC001459593817 1067359573 /nfs/dbraw/zinc/35/95/73/1067359573.db2.gz TYGDBXKQJFUEPC-UHFFFAOYSA-N 0 0 454.118 4.790 20 5 JJBDRN COc1ccc(CSCC(=O)Nc2cc3c(cc2Br)CCC3)cc1[N+](=O)[O-] ZINC001459594866 1067359700 /nfs/dbraw/zinc/35/97/00/1067359700.db2.gz WXSMNLAHXHTVQQ-UHFFFAOYSA-N 0 0 451.342 4.727 20 5 JJBDRN O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001459607012 1067361752 /nfs/dbraw/zinc/36/17/52/1067361752.db2.gz FWMQCTNMPSXVLW-UHFFFAOYSA-N 0 0 451.389 4.557 20 5 JJBDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC001459613371 1067364096 /nfs/dbraw/zinc/36/40/96/1067364096.db2.gz BWCBJUGEGALYFF-UHFFFAOYSA-N 0 0 458.755 4.946 20 5 JJBDRN Cc1nc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)sc1Cc1c(F)cccc1F ZINC001459638242 1067370058 /nfs/dbraw/zinc/37/00/58/1067370058.db2.gz PNVUTHMJQFRJHP-UHFFFAOYSA-N 0 0 455.446 4.667 20 5 JJBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658282 1067373225 /nfs/dbraw/zinc/37/32/25/1067373225.db2.gz WKUFSVYGFYAZOC-ROUUACIJSA-N 0 0 450.576 4.972 20 5 JJBDRN CC(C)(C)[C@@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ccccc21 ZINC001459681278 1067382137 /nfs/dbraw/zinc/38/21/37/1067382137.db2.gz LTYJJCVEPJOVOX-CQSZACIVSA-N 0 0 450.276 4.990 20 5 JJBDRN CCOc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3n2C(C)C)c([N+](=O)[O-])c1 ZINC001459726147 1067396724 /nfs/dbraw/zinc/39/67/24/1067396724.db2.gz BWURBZRMZUDPLI-NRFANRHFSA-N 0 0 451.527 4.700 20 5 JJBDRN Cc1nc(CCC(=O)NCCc2ccccc2[N+](=O)[O-])oc1-c1ccc(Br)cc1 ZINC001459730387 1067398449 /nfs/dbraw/zinc/39/84/49/1067398449.db2.gz OIHYBQUSZHSRJM-UHFFFAOYSA-N 0 0 458.312 4.612 20 5 JJBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001459730491 1067398685 /nfs/dbraw/zinc/39/86/85/1067398685.db2.gz POJOMHAQHUGBGW-OAQYLSRUSA-N 0 0 455.308 4.836 20 5 JJBDRN CC[C@@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001459760341 1067411391 /nfs/dbraw/zinc/41/13/91/1067411391.db2.gz UNWCRMXZCDXEDD-LJQANCHMSA-N 0 0 456.337 4.641 20 5 JJBDRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001459773362 1067416094 /nfs/dbraw/zinc/41/60/94/1067416094.db2.gz LGCVWEMHPBMXRZ-UHFFFAOYSA-N 0 0 450.282 4.539 20 5 JJBDRN COC(=O)c1c(C)c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1Br ZINC001459844011 1067450616 /nfs/dbraw/zinc/45/06/16/1067450616.db2.gz IGAWLCGIWRLXJD-UHFFFAOYSA-N 0 0 453.264 4.508 20 5 JJBDRN O=C(CN1CCc2c(Br)ccc(Cl)c2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001459903249 1067481438 /nfs/dbraw/zinc/48/14/38/1067481438.db2.gz MIQATPBRHYVUAR-UHFFFAOYSA-N 0 0 459.127 4.661 20 5 JJBDRN COc1ccc(CC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC001459977598 1067513151 /nfs/dbraw/zinc/51/31/51/1067513151.db2.gz ZECGWRXAMXKYTM-GOSISDBHSA-N 0 0 456.713 4.855 20 5 JJBDRN O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC001459991150 1067517885 /nfs/dbraw/zinc/51/78/85/1067517885.db2.gz MPOIYCIIJKTNNV-IBGZPJMESA-N 0 0 457.284 4.734 20 5 JJBDRN O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC001459991156 1067517981 /nfs/dbraw/zinc/51/79/81/1067517981.db2.gz MPOIYCIIJKTNNV-LJQANCHMSA-N 0 0 457.284 4.734 20 5 JJBDRN O=C(c1cc2sccc2nc1Cl)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460004702 1067523180 /nfs/dbraw/zinc/52/31/80/1067523180.db2.gz JGWJJYTYBNAIFR-UHFFFAOYSA-N 0 0 452.717 4.819 20 5 JJBDRN CC(C)c1ncc(CN(C)[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC001460003966 1067523244 /nfs/dbraw/zinc/52/32/44/1067523244.db2.gz RBJCJWFBIDKHFZ-OAQYLSRUSA-N 0 0 453.930 4.973 20 5 JJBDRN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008515 1067525252 /nfs/dbraw/zinc/52/52/52/1067525252.db2.gz WXMPMIDZHJSGKA-SFHVURJKSA-N 0 0 450.564 4.784 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCC(c4ccc(F)c(F)c4)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC001460022859 1067532004 /nfs/dbraw/zinc/53/20/04/1067532004.db2.gz XURWZOGRINKRHI-UHFFFAOYSA-N 0 0 454.477 4.754 20 5 JJBDRN O=C(NC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)OCc1ccccc1 ZINC001460048488 1067538694 /nfs/dbraw/zinc/53/86/94/1067538694.db2.gz ZFFGTSMGILGEEM-QGZVFWFLSA-N 0 0 451.445 4.752 20 5 JJBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001460082671 1067549503 /nfs/dbraw/zinc/54/95/03/1067549503.db2.gz QLRNPZARVPSHBB-KZULUSFZSA-N 0 0 458.729 4.517 20 5 JJBDRN CCN(C[C@@H](C)OC)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144600 1067563760 /nfs/dbraw/zinc/56/37/60/1067563760.db2.gz XGHOAPBJRJQMKI-IIBYNOLFSA-N 0 0 454.552 4.755 20 5 JJBDRN C[C@]1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1(Cl)Cl ZINC001460156752 1067566479 /nfs/dbraw/zinc/56/64/79/1067566479.db2.gz BODWCNVTJZJBBQ-MRXNPFEDSA-N 0 0 454.276 4.530 20 5 JJBDRN O=C(CN1CCC(c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460180705 1067572756 /nfs/dbraw/zinc/57/27/56/1067572756.db2.gz JXBFBRMTNRJIPS-UHFFFAOYSA-N 0 0 457.836 4.965 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)NCc3ccnc(C(F)(F)F)c3)cc2[N+](=O)[O-])n1 ZINC001460185670 1067574234 /nfs/dbraw/zinc/57/42/34/1067574234.db2.gz DNJGUKFXUNSFLO-UHFFFAOYSA-N 0 0 454.455 4.855 20 5 JJBDRN CC[C@H](C)n1c2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2nc1C(F)(F)F ZINC001460263975 1067593514 /nfs/dbraw/zinc/59/35/14/1067593514.db2.gz ILQKEPHGRHQJFE-JTQLQIEISA-N 0 0 450.373 4.915 20 5 JJBDRN CC[C@@H](C)n1c2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2nc1C(F)(F)F ZINC001460263979 1067593520 /nfs/dbraw/zinc/59/35/20/1067593520.db2.gz ILQKEPHGRHQJFE-SNVBAGLBSA-N 0 0 450.373 4.915 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001460392441 1067625280 /nfs/dbraw/zinc/62/52/80/1067625280.db2.gz CQCCNJKAHARLMU-MRXNPFEDSA-N 0 0 457.836 4.749 20 5 JJBDRN O=C(OCc1cc(Br)cnc1Cl)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001460404269 1067627769 /nfs/dbraw/zinc/62/77/69/1067627769.db2.gz NKXYVPYWHLFJBZ-UHFFFAOYSA-N 0 0 454.689 4.886 20 5 JJBDRN Cc1c(NC(=O)[C@H](C)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cccc1[N+](=O)[O-] ZINC001460510108 1067646732 /nfs/dbraw/zinc/64/67/32/1067646732.db2.gz KELIHJUVUZPWER-KRWDZBQOSA-N 0 0 455.559 4.616 20 5 JJBDRN O=C(Nc1nccc2cc(Br)ccc21)c1c(Br)cccc1[N+](=O)[O-] ZINC001460508879 1067646740 /nfs/dbraw/zinc/64/67/40/1067646740.db2.gz VUOIRYAZWVHFDP-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN COc1cc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001460579933 1067660475 /nfs/dbraw/zinc/66/04/75/1067660475.db2.gz HYMVJMGBGFLPPH-OAHLLOKOSA-N 0 0 451.454 4.794 20 5 JJBDRN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001460591427 1067664225 /nfs/dbraw/zinc/66/42/25/1067664225.db2.gz ACQXAIZTKDDKMB-SJLPKXTDSA-N 0 0 464.421 4.944 20 5 JJBDRN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(=O)N2CCCCC2)c1 ZINC001460600959 1067666906 /nfs/dbraw/zinc/66/69/06/1067666906.db2.gz VXPIAORGZMCWGZ-UHFFFAOYSA-N 0 0 451.504 4.701 20 5 JJBDRN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(Cc2cccc(F)c2)CCOCC1 ZINC001460600816 1067666969 /nfs/dbraw/zinc/66/69/69/1067666969.db2.gz VLDCQLCYUHFDGO-UHFFFAOYSA-N 0 0 456.495 4.940 20 5 JJBDRN O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001460643078 1067683173 /nfs/dbraw/zinc/68/31/73/1067683173.db2.gz LSRVYFSTDFAAIM-UHFFFAOYSA-N 0 0 458.392 4.901 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001460690537 1067702414 /nfs/dbraw/zinc/70/24/14/1067702414.db2.gz LPESSOZAFBBXNF-TZIWHRDSSA-N 0 0 453.539 4.822 20 5 JJBDRN CCOC(=O)c1c(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 ZINC001460721550 1067709528 /nfs/dbraw/zinc/70/95/28/1067709528.db2.gz BYTGDEQYPCMDMW-KKUMJFAQSA-N 0 0 459.568 4.636 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[C@H]1c1ccc(F)cc1 ZINC001460744448 1067714130 /nfs/dbraw/zinc/71/41/30/1067714130.db2.gz JKHBYSSADMXXLK-HNAYVOBHSA-N 0 0 479.455 4.535 20 5 JJBDRN C[C@@H](c1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1)C(F)(F)F ZINC001460754022 1067716867 /nfs/dbraw/zinc/71/68/67/1067716867.db2.gz APBAVCACAZKTFG-WFASDCNBSA-N 0 0 456.442 4.670 20 5 JJBDRN CCOC(=O)[C@@]1(F)CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1CC ZINC001460755373 1067717177 /nfs/dbraw/zinc/71/71/77/1067717177.db2.gz PSEGZUHQVVIMDF-ITSWEJNFSA-N 0 0 477.920 4.541 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3F)cc2[N+](=O)[O-])cc1 ZINC001460790843 1067723934 /nfs/dbraw/zinc/72/39/34/1067723934.db2.gz YXECAAHQEKQPOD-UHFFFAOYSA-N 0 0 450.455 4.626 20 5 JJBDRN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2ncc(Br)cn2)c(Br)c1 ZINC001460806390 1067727787 /nfs/dbraw/zinc/72/77/87/1067727787.db2.gz IGGWPUUSVQVCLO-OAHLLOKOSA-N 0 0 456.138 4.637 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001460810630 1067728172 /nfs/dbraw/zinc/72/81/72/1067728172.db2.gz VTEBDDTYJYEGEN-CRAIPNDOSA-N 0 0 450.276 4.608 20 5 JJBDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001460832208 1067731466 /nfs/dbraw/zinc/73/14/66/1067731466.db2.gz OJWLHFKBOUEMKO-MSOLQXFVSA-N 0 0 459.568 4.786 20 5 JJBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2cc(Br)c(F)cc2C1 ZINC001460873330 1067739733 /nfs/dbraw/zinc/73/97/33/1067739733.db2.gz AAPGMJKKRYZTTN-SNVBAGLBSA-N 0 0 456.699 4.535 20 5 JJBDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cc(F)cc(Br)c1F ZINC001460911085 1067746662 /nfs/dbraw/zinc/74/66/62/1067746662.db2.gz AGFWIWOKDNGWAH-ZDUSSCGKSA-N 0 0 457.124 4.808 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1 ZINC001460914057 1067746976 /nfs/dbraw/zinc/74/69/76/1067746976.db2.gz JDFSABZSROZRDL-HNNXBMFYSA-N 0 0 458.368 4.509 20 5 JJBDRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)co1 ZINC001460918949 1067748120 /nfs/dbraw/zinc/74/81/20/1067748120.db2.gz YDYVPUBKFCJPSA-OZSKJFCKSA-N 0 0 458.364 4.715 20 5 JJBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCSC[C@@H]1C1CCC1 ZINC001461029344 1067765175 /nfs/dbraw/zinc/76/51/75/1067765175.db2.gz ASFZXYWWQLFZPD-LJQANCHMSA-N 0 0 457.518 4.574 20 5 JJBDRN COc1cc(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461109855 1067783817 /nfs/dbraw/zinc/78/38/17/1067783817.db2.gz ZPQPLLPGIGXLLA-YJBOKZPZSA-N 0 0 459.568 4.927 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001461274715 1067816121 /nfs/dbraw/zinc/81/61/21/1067816121.db2.gz SABIMNQXRYVSAP-VAMGGRTRSA-N 0 0 492.313 4.643 20 5 JJBDRN CC(C)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001461288933 1067819096 /nfs/dbraw/zinc/81/90/96/1067819096.db2.gz VRDLMAOCZVYHCO-QFIPXVFZSA-N 0 0 450.539 4.903 20 5 JJBDRN C[C@H](C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001461305323 1067823958 /nfs/dbraw/zinc/82/39/58/1067823958.db2.gz PJCQXYTUGAXMTP-JTQLQIEISA-N 0 0 459.218 4.905 20 5 JJBDRN C[C@@H](C(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001461305324 1067824152 /nfs/dbraw/zinc/82/41/52/1067824152.db2.gz PJCQXYTUGAXMTP-SNVBAGLBSA-N 0 0 459.218 4.905 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3Br)CCC2)cc1SC ZINC001461308499 1067825244 /nfs/dbraw/zinc/82/52/44/1067825244.db2.gz WQTXMCKAZUPMSG-UHFFFAOYSA-N 0 0 451.342 4.897 20 5 JJBDRN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001461320822 1067827633 /nfs/dbraw/zinc/82/76/33/1067827633.db2.gz HIMNLOFNXYRYGV-HSZRJFAPSA-N 0 0 457.914 4.560 20 5 JJBDRN CSc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC001461429446 1067853931 /nfs/dbraw/zinc/85/39/31/1067853931.db2.gz BVQYWJWGZDFPPH-KPZWWZAWSA-N 0 0 451.342 4.681 20 5 JJBDRN Cc1ccc(-n2nc(Br)cc2C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001461451212 1067859938 /nfs/dbraw/zinc/85/99/38/1067859938.db2.gz MHLPOMRUUIULIQ-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN O=C(Nc1cc(OC(F)(F)F)c(F)cc1Br)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001461627178 1067904934 /nfs/dbraw/zinc/90/49/34/1067904934.db2.gz FTROYDQJTWXKGN-UHFFFAOYSA-N 0 0 459.096 4.926 20 5 JJBDRN Cn1cc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c2ccccc21 ZINC001461640175 1067907677 /nfs/dbraw/zinc/90/76/77/1067907677.db2.gz QTFCADJOKUYHQC-UHFFFAOYSA-N 0 0 458.305 4.552 20 5 JJBDRN C[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(I)cc1 ZINC001461698614 1067920910 /nfs/dbraw/zinc/92/09/10/1067920910.db2.gz CTDYOEDFFGVEMX-CYBMUJFWSA-N 0 0 450.276 4.672 20 5 JJBDRN O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC[C@H]1CC1CCC1 ZINC001461745369 1067929463 /nfs/dbraw/zinc/92/94/63/1067929463.db2.gz MZVQHIFXORLTST-IBGZPJMESA-N 0 0 458.536 4.547 20 5 JJBDRN O=C(Nc1cc(Br)cc(Br)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001461841792 1067944874 /nfs/dbraw/zinc/94/48/74/1067944874.db2.gz DKFMGCKXVNEBBQ-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(C4CCCCC4)c3)cc2[N+](=O)[O-])CC1 ZINC001461858757 1067948781 /nfs/dbraw/zinc/94/87/81/1067948781.db2.gz ONMHVJGHKRNBRN-UHFFFAOYSA-N 0 0 450.539 4.563 20 5 JJBDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001461942378 1067965667 /nfs/dbraw/zinc/96/56/67/1067965667.db2.gz VBYLCINTOZFOOB-INIZCTEOSA-N 0 0 451.323 4.536 20 5 JJBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001461968193 1067971308 /nfs/dbraw/zinc/97/13/08/1067971308.db2.gz MTODASSWBDUOOS-RVDMUPIBSA-N 0 0 450.417 4.747 20 5 JJBDRN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001461971040 1067972038 /nfs/dbraw/zinc/97/20/38/1067972038.db2.gz NGYQALKVOKRPMO-UHFFFAOYSA-N 0 0 453.974 4.939 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(OCc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC001461998531 1067977607 /nfs/dbraw/zinc/97/76/07/1067977607.db2.gz MNIVSIXMRGEHCD-DEOSSOPVSA-N 0 0 459.502 4.726 20 5 JJBDRN CSc1cccc(C(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001462040428 1067987380 /nfs/dbraw/zinc/98/73/80/1067987380.db2.gz UKVAUPUVJGDPBE-UHFFFAOYSA-N 0 0 457.552 4.540 20 5 JJBDRN O=[N+]([O-])c1sc(CN2CCc3cc(Br)cc(F)c3C2)cc1Br ZINC001462067404 1067995182 /nfs/dbraw/zinc/99/51/82/1067995182.db2.gz FILPDTBQVRLUKV-UHFFFAOYSA-N 0 0 450.127 4.879 20 5 JJBDRN Cc1c(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001462229556 1068033938 /nfs/dbraw/zinc/03/39/38/1068033938.db2.gz SFAGLOKPTAYGDS-QFIPXVFZSA-N 0 0 457.893 4.514 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)NCC3(c4cccc(Cl)c4)CCC3)cc2)c(C)c1[N+](=O)[O-] ZINC001462235342 1068035391 /nfs/dbraw/zinc/03/53/91/1068035391.db2.gz QCDIMAQZWAYMSO-UHFFFAOYSA-N 0 0 452.942 4.962 20 5 JJBDRN CC[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001462293900 1068045680 /nfs/dbraw/zinc/04/56/80/1068045680.db2.gz JZEITJYNVCPLNN-HNNXBMFYSA-N 0 0 455.433 4.700 20 5 JJBDRN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](c2ccc(Br)c(Cl)c2)C(F)(F)F)n1 ZINC001462328397 1068052234 /nfs/dbraw/zinc/05/22/34/1068052234.db2.gz NAZFTDYSQZNLHL-GFCCVEGCSA-N 0 0 456.602 4.688 20 5 JJBDRN O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001462493049 1068084718 /nfs/dbraw/zinc/08/47/18/1068084718.db2.gz NBJGHDXJJOXJHZ-UHFFFAOYSA-N 0 0 457.280 4.845 20 5 JJBDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC001462586780 1068105243 /nfs/dbraw/zinc/10/52/43/1068105243.db2.gz IFNVZALQFHREIM-JTQLQIEISA-N 0 0 450.339 4.707 20 5 JJBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2sccc2Br)c(Cc2ccccc2)c1 ZINC001462752037 1068155829 /nfs/dbraw/zinc/15/58/29/1068155829.db2.gz GZZJZZORXLPICM-UHFFFAOYSA-N 0 0 454.323 4.777 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462756659 1068157037 /nfs/dbraw/zinc/15/70/37/1068157037.db2.gz XHFIFYJTBHWIOC-OAQYLSRUSA-N 0 0 458.561 4.612 20 5 JJBDRN Cc1cc(C)c(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C ZINC001462773470 1068163741 /nfs/dbraw/zinc/16/37/41/1068163741.db2.gz GMCYAUBGOMITMB-UHFFFAOYSA-N 0 0 454.504 4.848 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC001462787937 1068167560 /nfs/dbraw/zinc/16/75/60/1068167560.db2.gz KAGQBJCRWPJXPP-LBPRGKRZSA-N 0 0 453.314 4.794 20 5 JJBDRN O=C(NCc1cc(Br)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001462793596 1068169109 /nfs/dbraw/zinc/16/91/09/1068169109.db2.gz JXROWALUZUBNKY-UHFFFAOYSA-N 0 0 452.736 4.931 20 5 JJBDRN O=C(NCCc1ccc2c(c1)OCCCO2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001462813390 1068174462 /nfs/dbraw/zinc/17/44/62/1068174462.db2.gz JBUBSRJXHSDERD-UHFFFAOYSA-N 0 0 450.516 4.880 20 5 JJBDRN COc1ccc(C2(CNS(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CCCCC2)cc1 ZINC001462897445 1068207657 /nfs/dbraw/zinc/20/76/57/1068207657.db2.gz NNFWGGUZBNDQCJ-UHFFFAOYSA-N 0 0 456.923 4.576 20 5 JJBDRN CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC001462902818 1068209918 /nfs/dbraw/zinc/20/99/18/1068209918.db2.gz PMBVHFOCNFHVES-UHFFFAOYSA-N 0 0 457.346 4.506 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1oc2ccccc2c1Br ZINC001462911669 1068212199 /nfs/dbraw/zinc/21/21/99/1068212199.db2.gz UVOUKKJHFNSBQO-UHFFFAOYSA-N 0 0 453.314 4.703 20 5 JJBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1F ZINC001462930265 1068218176 /nfs/dbraw/zinc/21/81/76/1068218176.db2.gz XLIQRBVOTHRZSP-UHFFFAOYSA-N 0 0 452.257 4.931 20 5 JJBDRN Cc1c(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)ccc1I ZINC001462937474 1068221321 /nfs/dbraw/zinc/22/13/21/1068221321.db2.gz RZIWTRJMRRELSI-UHFFFAOYSA-N 0 0 450.276 4.877 20 5 JJBDRN Cc1cc(F)c(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(F)c1 ZINC001462988437 1068241071 /nfs/dbraw/zinc/24/10/71/1068241071.db2.gz AAXHVGLMZZYOHV-UHFFFAOYSA-N 0 0 457.399 4.733 20 5 JJBDRN COc1ccc2oc([C@@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2c1 ZINC001463046191 1068263770 /nfs/dbraw/zinc/26/37/70/1068263770.db2.gz KFZPGSWOUHJROV-LLVKDONJSA-N 0 0 458.414 4.716 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463059987 1068269822 /nfs/dbraw/zinc/26/98/22/1068269822.db2.gz AARGBYFPGROGHC-ZUOKHONESA-N 0 0 457.449 4.523 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463059959 1068269927 /nfs/dbraw/zinc/26/99/27/1068269927.db2.gz AARGBYFPGROGHC-RBZFPXEDSA-N 0 0 457.449 4.523 20 5 JJBDRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC001463065739 1068274054 /nfs/dbraw/zinc/27/40/54/1068274054.db2.gz YMSOIOFIZZJTJL-SFHVURJKSA-N 0 0 451.951 4.938 20 5 JJBDRN C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463083865 1068281992 /nfs/dbraw/zinc/28/19/92/1068281992.db2.gz CAPRMNHLNNGRMT-LWNYNHHKSA-N 0 0 459.749 4.686 20 5 JJBDRN C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001463084306 1068282064 /nfs/dbraw/zinc/28/20/64/1068282064.db2.gz FCSWYTYLSXGZHE-OVWKYPIYSA-N 0 0 459.749 4.686 20 5 JJBDRN C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463086147 1068282607 /nfs/dbraw/zinc/28/26/07/1068282607.db2.gz MDHPGKIWWJVEMO-VMDBXTETSA-N 0 0 459.749 4.686 20 5 JJBDRN C[C@@H](C(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001463092993 1068283997 /nfs/dbraw/zinc/28/39/97/1068283997.db2.gz KAXQCVMCGLDWLO-OAHLLOKOSA-N 0 0 451.539 4.627 20 5 JJBDRN CC[S@@](=O)(=NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001463112121 1068291240 /nfs/dbraw/zinc/29/12/40/1068291240.db2.gz VRRKMTNVAXXPKM-LJAQVGFWSA-N 0 0 450.822 4.877 20 5 JJBDRN COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)cc1[N+](=O)[O-] ZINC001463141635 1068300779 /nfs/dbraw/zinc/30/07/79/1068300779.db2.gz ZFESGOOUEMDIRB-UHFFFAOYSA-N 0 0 456.476 4.642 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1C ZINC001463158422 1068306785 /nfs/dbraw/zinc/30/67/85/1068306785.db2.gz ROZHHLLVZDHMRO-UHFFFAOYSA-N 0 0 451.548 4.817 20 5 JJBDRN C[C@H]1Cc2cc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc(Cl)c2O1 ZINC001463188508 1068314177 /nfs/dbraw/zinc/31/41/77/1068314177.db2.gz UYSSVOPSARPBHF-HNNXBMFYSA-N 0 0 458.923 4.967 20 5 JJBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001463198488 1068317722 /nfs/dbraw/zinc/31/77/22/1068317722.db2.gz VBGPAGDTRBGYKD-SFHVURJKSA-N 0 0 456.568 4.711 20 5 JJBDRN Cc1ccc(S(=O)(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1[N+](=O)[O-] ZINC001463200365 1068318220 /nfs/dbraw/zinc/31/82/20/1068318220.db2.gz AXPTYXPXGUYDRP-UHFFFAOYSA-N 0 0 457.455 4.524 20 5 JJBDRN CCC(CC)(CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001463212033 1068322081 /nfs/dbraw/zinc/32/20/81/1068322081.db2.gz KERQNEKRBPABCO-UHFFFAOYSA-N 0 0 459.337 4.533 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC001463245165 1068332830 /nfs/dbraw/zinc/33/28/30/1068332830.db2.gz BDXVIVFOTKNMEH-QHCPKHFHSA-N 0 0 453.564 4.969 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N1CC2(CCCC2)c2ccccc21 ZINC001463249502 1068334452 /nfs/dbraw/zinc/33/44/52/1068334452.db2.gz JUXLVUBDUGZVHN-UHFFFAOYSA-N 0 0 455.305 4.517 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2F)C2CCCC2)c(Br)c1 ZINC001463280211 1068343191 /nfs/dbraw/zinc/34/31/91/1068343191.db2.gz AXZLFAAMPPUIFV-GOSISDBHSA-N 0 0 457.321 4.706 20 5 JJBDRN Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 ZINC001463320829 1068354910 /nfs/dbraw/zinc/35/49/10/1068354910.db2.gz HVXQLNAIZVSVSG-QGZVFWFLSA-N 0 0 453.358 4.808 20 5 JJBDRN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001463354449 1068368621 /nfs/dbraw/zinc/36/86/21/1068368621.db2.gz AHSNAOFPDIIADH-CLOONOSVSA-N 0 0 450.560 4.546 20 5 JJBDRN CCOC(=O)c1cn(CC)nc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001463367375 1068374280 /nfs/dbraw/zinc/37/42/80/1068374280.db2.gz OFFZADWIIKGKRT-UHFFFAOYSA-N 0 0 454.508 4.700 20 5 JJBDRN COc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)cc1 ZINC001463384594 1068379609 /nfs/dbraw/zinc/37/96/09/1068379609.db2.gz XDAHETATBDJPKO-UHFFFAOYSA-N 0 0 454.504 4.749 20 5 JJBDRN COC(=O)c1ccc(C)c2c1CCCN2C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001463400205 1068385035 /nfs/dbraw/zinc/38/50/35/1068385035.db2.gz YBSNIAWAUZZQBG-UHFFFAOYSA-N 0 0 451.523 4.519 20 5 JJBDRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001463407793 1068386356 /nfs/dbraw/zinc/38/63/56/1068386356.db2.gz ZFESSLIPMNXEMQ-LLVKDONJSA-N 0 0 452.319 4.758 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC001463413688 1068390116 /nfs/dbraw/zinc/39/01/16/1068390116.db2.gz RVBAODMYXJARRK-UHFFFAOYSA-N 0 0 459.351 4.602 20 5 JJBDRN Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001463532112 1068429957 /nfs/dbraw/zinc/42/99/57/1068429957.db2.gz WFBCLGRVLCZMAU-CQSZACIVSA-N 0 0 456.364 4.894 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)Oc2cnc3ccc(Br)cc3c2)cc1[N+](=O)[O-] ZINC001463537732 1068433059 /nfs/dbraw/zinc/43/30/59/1068433059.db2.gz DKQSVORVYISFSH-UHFFFAOYSA-N 0 0 457.689 4.635 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cnc2c(Br)cccc2c1 ZINC001463584368 1068456866 /nfs/dbraw/zinc/45/68/66/1068456866.db2.gz UCZNFJPSNSAQOW-UHFFFAOYSA-N 0 0 457.689 4.635 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2)cc1[N+](=O)[O-] ZINC001463588841 1068458288 /nfs/dbraw/zinc/45/82/88/1068458288.db2.gz IUVYZXPFCAELFA-RBUKOAKNSA-N 0 0 457.533 4.508 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001463606508 1068464123 /nfs/dbraw/zinc/46/41/23/1068464123.db2.gz JRZKQACOKUEJSN-GFCCVEGCSA-N 0 0 456.904 4.602 20 5 JJBDRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001463623216 1068470787 /nfs/dbraw/zinc/47/07/87/1068470787.db2.gz CHOCHXPEELHLHT-RBUKOAKNSA-N 0 0 471.922 4.791 20 5 JJBDRN CC(C)N(c1cnc2ccccc2c1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001463626070 1068472097 /nfs/dbraw/zinc/47/20/97/1068472097.db2.gz OOADNLQOTGVGJC-UHFFFAOYSA-N 0 0 450.314 4.509 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 ZINC001463633501 1068476384 /nfs/dbraw/zinc/47/63/84/1068476384.db2.gz PNNHSQYUBNJYLO-IBGZPJMESA-N 0 0 459.321 4.698 20 5 JJBDRN Cc1csc(-c2ccc(S(=O)(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)n1 ZINC001463648300 1068480147 /nfs/dbraw/zinc/48/01/47/1068480147.db2.gz MYSINCCSCIJWQO-UHFFFAOYSA-N 0 0 457.455 4.524 20 5 JJBDRN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC001463655326 1068483205 /nfs/dbraw/zinc/48/32/05/1068483205.db2.gz TUUQUPAHFGJMNC-QMMMGPOBSA-N 0 0 459.229 4.840 20 5 JJBDRN COCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001463690617 1068494897 /nfs/dbraw/zinc/49/48/97/1068494897.db2.gz GCKOOBCQWMTLNT-AWEZNQCLSA-N 0 0 453.731 4.611 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1[N+](=O)[O-] ZINC001463694306 1068495942 /nfs/dbraw/zinc/49/59/42/1068495942.db2.gz QXNHZEQLYMNTAL-UHFFFAOYSA-N 0 0 459.749 4.677 20 5 JJBDRN CCc1c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cnn1-c1ccccc1 ZINC001463741509 1068509333 /nfs/dbraw/zinc/50/93/33/1068509333.db2.gz IZGIQUDRDQCEMC-UHFFFAOYSA-N 0 0 456.458 4.814 20 5 JJBDRN O=C(Nc1ccc(OC(=O)c2cc(Br)ccc2O)cc1)c1cccc([N+](=O)[O-])c1 ZINC001463744453 1068510316 /nfs/dbraw/zinc/51/03/16/1068510316.db2.gz WZRYTZMHZOPLQE-UHFFFAOYSA-N 0 0 457.236 4.534 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC001463797387 1068528051 /nfs/dbraw/zinc/52/80/51/1068528051.db2.gz QHWUDYRKSUYXSN-MQMHXKEQSA-N 0 0 459.749 4.544 20 5 JJBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)C(c1ccccc1)c1ccccc1 ZINC001463802257 1068530159 /nfs/dbraw/zinc/53/01/59/1068530159.db2.gz IEZVNGBJQZDXGY-CQSZACIVSA-N 0 0 454.324 4.890 20 5 JJBDRN Cn1ccnc1[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 ZINC001463818001 1068535166 /nfs/dbraw/zinc/53/51/66/1068535166.db2.gz AAURLNOFRDLFSV-HNNXBMFYSA-N 0 0 457.676 4.947 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001463847080 1068546561 /nfs/dbraw/zinc/54/65/61/1068546561.db2.gz SMWATCONSXVSOK-HNNXBMFYSA-N 0 0 455.323 4.694 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001463879652 1068554618 /nfs/dbraw/zinc/55/46/18/1068554618.db2.gz IGKROEQMQQKLAG-UHFFFAOYSA-N 0 0 459.911 4.620 20 5 JJBDRN Cc1ccc(CN(CC(C)C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC001463937918 1068570540 /nfs/dbraw/zinc/57/05/40/1068570540.db2.gz CFWHOJZGYHIMHQ-UHFFFAOYSA-N 0 0 455.374 4.821 20 5 JJBDRN 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2cccnc2)n1CCC1(F)CCC1 ZINC001360116384 1065000723 /nfs/dbraw/zinc/00/07/23/1065000723.db2.gz CVUYSZRXNCFFIH-UHFFFAOYSA-N 0 0 452.534 4.869 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360116531 1065001109 /nfs/dbraw/zinc/00/11/09/1065001109.db2.gz IEFPRHQJKAXPGX-RCZVLFRGSA-N 0 0 471.602 4.784 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1 ZINC001360116740 1065001819 /nfs/dbraw/zinc/00/18/19/1065001819.db2.gz OPDUFKSAJUBOCA-QFIPXVFZSA-N 0 0 466.611 4.873 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 ZINC001360130988 1065026333 /nfs/dbraw/zinc/02/63/33/1065026333.db2.gz HSCRBSQKBCEURG-DBXWQHBBSA-N 0 0 454.546 4.615 20 5 JJBDRN Cc1cccc(COc2ccc(CNC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001435879781 1065040513 /nfs/dbraw/zinc/04/05/13/1065040513.db2.gz PXTYFGRBXXDHSZ-UHFFFAOYSA-N 0 0 456.502 4.813 20 5 JJBDRN Cc1c(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC001435898462 1065051435 /nfs/dbraw/zinc/05/14/35/1065051435.db2.gz VELZISJZUPNLKB-UXHICEINSA-N 0 0 473.957 4.824 20 5 JJBDRN Cc1cc2nc(C)c(CCC(=O)Nc3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c(C)n2n1 ZINC001435923581 1065065793 /nfs/dbraw/zinc/06/57/93/1065065793.db2.gz IRMAVBDNPOEJLI-UHFFFAOYSA-N 0 0 459.506 4.713 20 5 JJBDRN CSc1ccc(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC001435934108 1065070772 /nfs/dbraw/zinc/07/07/72/1065070772.db2.gz JHVMYRJKAWKWCM-FQEVSTJZSA-N 0 0 450.516 4.574 20 5 JJBDRN COc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cn2)CCC3)cc1[N+](=O)[O-] ZINC001435950553 1065077980 /nfs/dbraw/zinc/07/79/80/1065077980.db2.gz ZSKDQPMPRWMIIM-UHFFFAOYSA-N 0 0 457.895 4.685 20 5 JJBDRN Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001360203077 1065079115 /nfs/dbraw/zinc/07/91/15/1065079115.db2.gz SOYNSTPFBLWUQU-VIFPVBQESA-N 0 0 454.701 4.935 20 5 JJBDRN Cc1c(CC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC001435962840 1065084415 /nfs/dbraw/zinc/08/44/15/1065084415.db2.gz YZNCHFKOKMNLIA-HXUWFJFHSA-N 0 0 454.324 4.703 20 5 JJBDRN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001435964843 1065084744 /nfs/dbraw/zinc/08/47/44/1065084744.db2.gz VTENMISSBLXWGF-FUHWJXTLSA-N 0 0 451.589 4.720 20 5 JJBDRN C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c2ccccc21 ZINC001436002026 1065102833 /nfs/dbraw/zinc/10/28/33/1065102833.db2.gz MUQCYWKCNXLTFJ-AWEZNQCLSA-N 0 0 453.882 4.967 20 5 JJBDRN Cc1c(Br)cc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC001360276939 1065118711 /nfs/dbraw/zinc/11/87/11/1065118711.db2.gz VRKIVYKJBPBLIR-UHFFFAOYSA-N 0 0 453.720 4.755 20 5 JJBDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001360289475 1065126785 /nfs/dbraw/zinc/12/67/85/1065126785.db2.gz GAHCYTKBLUVZLU-CYBMUJFWSA-N 0 0 454.389 4.725 20 5 JJBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1c(F)ccc(Br)c1F ZINC001436032656 1065129283 /nfs/dbraw/zinc/12/92/83/1065129283.db2.gz IRERPCANOXMPCN-UHFFFAOYSA-N 0 0 458.258 4.939 20 5 JJBDRN Cn1cc(C(=O)Oc2cc(F)c(Br)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436040358 1065134992 /nfs/dbraw/zinc/13/49/92/1065134992.db2.gz KUVRPNYCWGWJIJ-UHFFFAOYSA-N 0 0 454.639 4.770 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc1SC ZINC001436053995 1065147460 /nfs/dbraw/zinc/14/74/60/1065147460.db2.gz AENGKOKWJKUAOF-SNVBAGLBSA-N 0 0 453.314 4.516 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001436108138 1065184350 /nfs/dbraw/zinc/18/43/50/1065184350.db2.gz FEXGNJJETSNLLV-LBPRGKRZSA-N 0 0 459.127 4.673 20 5 JJBDRN CCNc1ccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1[N+](=O)[O-] ZINC001436133906 1065205903 /nfs/dbraw/zinc/20/59/03/1065205903.db2.gz CZAZJQXPGYVIRJ-UHFFFAOYSA-N 0 0 459.256 4.591 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC001360356104 1065206042 /nfs/dbraw/zinc/20/60/42/1065206042.db2.gz NROJYLUIPZXOAB-UHFFFAOYSA-N 0 0 466.586 4.684 20 5 JJBDRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001436137303 1065208035 /nfs/dbraw/zinc/20/80/35/1065208035.db2.gz YGBDNOAFKCGVIS-UHFFFAOYSA-N 0 0 450.632 4.812 20 5 JJBDRN COc1ccccc1-c1csc(C2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001436136906 1065208181 /nfs/dbraw/zinc/20/81/81/1065208181.db2.gz GGEJSGINNKPHRZ-UHFFFAOYSA-N 0 0 453.520 4.512 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)c1 ZINC001436152083 1065217215 /nfs/dbraw/zinc/21/72/15/1065217215.db2.gz XHPHINQSGHTCSP-UHFFFAOYSA-N 0 0 450.358 4.954 20 5 JJBDRN COC(=O)c1c(C)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC001436157225 1065219959 /nfs/dbraw/zinc/21/99/59/1065219959.db2.gz YASXKYPBKLPEMO-LLVKDONJSA-N 0 0 453.314 4.572 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCN(c4ccccc4F)CC3)cc2[N+](=O)[O-])C1 ZINC001436164574 1065224337 /nfs/dbraw/zinc/22/43/37/1065224337.db2.gz GHUOWPVGHMQZOF-RTBURBONSA-N 0 0 454.546 4.569 20 5 JJBDRN COc1cc(C(=O)NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1OC(F)F ZINC001436194669 1065242927 /nfs/dbraw/zinc/24/29/27/1065242927.db2.gz MQSXTDAQRCPKSJ-UHFFFAOYSA-N 0 0 458.417 4.714 20 5 JJBDRN COCCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001436197923 1065245351 /nfs/dbraw/zinc/24/53/51/1065245351.db2.gz PCIACPDSGCTCBG-CQSZACIVSA-N 0 0 455.736 4.951 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)c1 ZINC001436206016 1065251231 /nfs/dbraw/zinc/25/12/31/1065251231.db2.gz PCHKVSQDQJFZBO-UHFFFAOYSA-N 0 0 451.327 4.850 20 5 JJBDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001436218726 1065260023 /nfs/dbraw/zinc/26/00/23/1065260023.db2.gz XSIJLROYVTWYQB-UHFFFAOYSA-N 0 0 452.536 4.994 20 5 JJBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001360402904 1065266432 /nfs/dbraw/zinc/26/64/32/1065266432.db2.gz RNEFHDPGOHOPPF-ZDUSSCGKSA-N 0 0 452.736 4.530 20 5 JJBDRN CC[C@@H](C(=O)OC)N(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001360408364 1065271343 /nfs/dbraw/zinc/27/13/43/1065271343.db2.gz LNHBEGOVTPCAOV-UEXGIBASSA-N 0 0 453.539 4.676 20 5 JJBDRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1OC ZINC000021137243 1065275329 /nfs/dbraw/zinc/27/53/29/1065275329.db2.gz PJNRRGWIAAARLD-UHFFFAOYSA-N 0 0 496.574 4.736 20 5 JJBDRN CCOc1cc(C(=O)N[C@H](CCOC)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC001436259311 1065278272 /nfs/dbraw/zinc/27/82/72/1065278272.db2.gz KNPBCVWSVWNFQX-MRXNPFEDSA-N 0 0 456.417 4.529 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001436306586 1065293314 /nfs/dbraw/zinc/29/33/14/1065293314.db2.gz CNFWUJWFTATOBQ-LJQANCHMSA-N 0 0 452.511 4.759 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001436345033 1065299968 /nfs/dbraw/zinc/29/99/68/1065299968.db2.gz PFAVSFVSUXFBBG-WIYYLYMNSA-N 0 0 457.502 4.505 20 5 JJBDRN O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC001360430484 1065306079 /nfs/dbraw/zinc/30/60/79/1065306079.db2.gz PFRUBZQQZYGTEK-UHFFFAOYSA-N 0 0 454.118 4.581 20 5 JJBDRN Cc1ccc(COC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1[N+](=O)[O-] ZINC001436398932 1065309788 /nfs/dbraw/zinc/30/97/88/1065309788.db2.gz UQPZVBQQCBPHFB-UHFFFAOYSA-N 0 0 459.252 4.868 20 5 JJBDRN COc1ccc(-n2ccnc2SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000021492086 1065317184 /nfs/dbraw/zinc/31/71/84/1065317184.db2.gz SUMPSMLCQAGTKW-UHFFFAOYSA-N 0 0 467.532 4.643 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC001436494341 1065335051 /nfs/dbraw/zinc/33/50/51/1065335051.db2.gz ZDELKJFWJISRCA-OAQYLSRUSA-N 0 0 459.546 4.528 20 5 JJBDRN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC001436508637 1065338320 /nfs/dbraw/zinc/33/83/20/1065338320.db2.gz FOSAWYWNGYQCQZ-AWEZNQCLSA-N 0 0 452.492 4.556 20 5 JJBDRN CC(C)(NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccc1[N+](=O)[O-] ZINC001436524156 1065343029 /nfs/dbraw/zinc/34/30/29/1065343029.db2.gz PUQLWJRIORCRSS-UHFFFAOYSA-N 0 0 458.312 4.996 20 5 JJBDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC001436529590 1065346616 /nfs/dbraw/zinc/34/66/16/1065346616.db2.gz UTBIVQROEUJWHS-IAGOWNOFSA-N 0 0 450.539 4.845 20 5 JJBDRN C[C@H]1CN(c2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCO1 ZINC001360453555 1065348736 /nfs/dbraw/zinc/34/87/36/1065348736.db2.gz MISRZHZDFSVBIU-ZDUSSCGKSA-N 0 0 455.458 4.570 20 5 JJBDRN O=C(CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC001436540917 1065351872 /nfs/dbraw/zinc/35/18/72/1065351872.db2.gz QWUANBFDTWXFRT-UHFFFAOYSA-N 0 0 450.200 4.679 20 5 JJBDRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNC(=O)OC(C)(C)C ZINC001360454983 1065354189 /nfs/dbraw/zinc/35/41/89/1065354189.db2.gz WREJXCQAPXKWBK-MRXNPFEDSA-N 0 0 470.530 4.559 20 5 JJBDRN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@H]1CCOC(C)(C)C1 ZINC001436558665 1065361278 /nfs/dbraw/zinc/36/12/78/1065361278.db2.gz ZDDGYRGIBDUTLC-KRWDZBQOSA-N 0 0 457.493 4.636 20 5 JJBDRN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(Br)cc1F ZINC001436559306 1065361877 /nfs/dbraw/zinc/36/18/77/1065361877.db2.gz FUEUYKVHOGURJA-AWEZNQCLSA-N 0 0 453.311 4.934 20 5 JJBDRN C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ncccc1F ZINC001360460567 1065362607 /nfs/dbraw/zinc/36/26/07/1065362607.db2.gz CHGWLXAIHLERQJ-HNNXBMFYSA-N 0 0 468.514 4.725 20 5 JJBDRN COc1cc(C(=O)N2CC[C@@H](n3cc(C)cn3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001436565555 1065366601 /nfs/dbraw/zinc/36/66/01/1065366601.db2.gz DBSFHMIXWLIMTH-QGZVFWFLSA-N 0 0 456.886 4.641 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001436599005 1065392152 /nfs/dbraw/zinc/39/21/52/1065392152.db2.gz QLSOAQHYTHBAFM-KRWDZBQOSA-N 0 0 458.312 4.801 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC001360472369 1065392287 /nfs/dbraw/zinc/39/22/87/1065392287.db2.gz DCMUYCJOTGBHFB-JGCGQSQUSA-N 0 0 455.511 4.501 20 5 JJBDRN COc1ccc(CSCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC001360479825 1065398295 /nfs/dbraw/zinc/39/82/95/1065398295.db2.gz FVLWAUDVWHEROA-PMERELPUSA-N 0 0 450.582 4.523 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001436629051 1065406581 /nfs/dbraw/zinc/40/65/81/1065406581.db2.gz MPMTYMKLOAXKDD-HNAYVOBHSA-N 0 0 451.951 4.890 20 5 JJBDRN COc1cccc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1[N+](=O)[O-] ZINC001436638151 1065411473 /nfs/dbraw/zinc/41/14/73/1065411473.db2.gz NJBWRYPCRUWRFH-UHFFFAOYSA-N 0 0 455.511 4.970 20 5 JJBDRN Cn1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc2cc(Cl)c(Cl)cc21 ZINC001436691222 1065423393 /nfs/dbraw/zinc/42/33/93/1065423393.db2.gz REYWSAQNAXZMTD-UHFFFAOYSA-N 0 0 450.101 4.865 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502483 1065428315 /nfs/dbraw/zinc/42/83/15/1065428315.db2.gz VIYRIYFQKJBBSY-XMMPIXPASA-N 0 0 459.481 4.956 20 5 JJBDRN CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)s1 ZINC001436716265 1065428585 /nfs/dbraw/zinc/42/85/85/1065428585.db2.gz XIVWNERSPOEKEU-UHFFFAOYSA-N 0 0 451.570 4.572 20 5 JJBDRN C[C@@H](Cc1cccs1)Cn1c([C@H]2CCCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001360502724 1065429089 /nfs/dbraw/zinc/42/90/89/1065429089.db2.gz BHHUBSJLDPDXPQ-LAUBAEHRSA-N 0 0 455.584 4.657 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001436738752 1065433860 /nfs/dbraw/zinc/43/38/60/1065433860.db2.gz KARJEPFIZMNDDC-RBDMOPTHSA-N 0 0 455.942 4.614 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001360506433 1065443877 /nfs/dbraw/zinc/44/38/77/1065443877.db2.gz FTEBBUYKUVILFB-MOPGFXCFSA-N 0 0 459.930 4.900 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506435 1065443961 /nfs/dbraw/zinc/44/39/61/1065443961.db2.gz FTEBBUYKUVILFB-RBUKOAKNSA-N 0 0 459.930 4.900 20 5 JJBDRN O=C(Oc1ccc(Br)c(C(F)(F)F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001436807375 1065444277 /nfs/dbraw/zinc/44/42/77/1065444277.db2.gz SQOOWSKXJGELDE-UHFFFAOYSA-N 0 0 456.174 4.781 20 5 JJBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)c1csnn1 ZINC001436821246 1065447709 /nfs/dbraw/zinc/44/77/09/1065447709.db2.gz GQQBIELZNYHIRH-INIZCTEOSA-N 0 0 452.536 4.823 20 5 JJBDRN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001436904781 1065467932 /nfs/dbraw/zinc/46/79/32/1065467932.db2.gz QVKBCONXQBDERY-PKOBYXMFSA-N 0 0 454.523 4.756 20 5 JJBDRN CCC1(CC)CCc2nc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)sc2C1 ZINC001437003872 1065492194 /nfs/dbraw/zinc/49/21/94/1065492194.db2.gz FCUMDFUEVPLFIG-UHFFFAOYSA-N 0 0 458.540 4.673 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437155443 1065516161 /nfs/dbraw/zinc/51/61/61/1065516161.db2.gz WXJQVLOZJALXTD-LSTHTHJFSA-N 0 0 459.587 4.707 20 5 JJBDRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001437177833 1065516572 /nfs/dbraw/zinc/51/65/72/1065516572.db2.gz CBZYAIQTPUKLFS-HDICACEKSA-N 0 0 452.555 4.810 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1[N+](=O)[O-] ZINC001437228046 1065523206 /nfs/dbraw/zinc/52/32/06/1065523206.db2.gz WXUQXVSCPJFFCN-UHFFFAOYSA-N 0 0 459.275 4.732 20 5 JJBDRN C[C@@H]1CN(c2cc(F)cc(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC001437285136 1065530629 /nfs/dbraw/zinc/53/06/29/1065530629.db2.gz RJKIKOLXKWJUKC-BETUJISGSA-N 0 0 453.923 4.732 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nccc(-c2sccc2Br)n1 ZINC001437305288 1065535018 /nfs/dbraw/zinc/53/50/18/1065535018.db2.gz QUMBTZAAXJAPAZ-UHFFFAOYSA-N 0 0 453.705 4.806 20 5 JJBDRN COC(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)cc1 ZINC001360566285 1065556857 /nfs/dbraw/zinc/55/68/57/1065556857.db2.gz JFRLLGPMIBXKFC-UHFFFAOYSA-N 0 0 458.829 4.896 20 5 JJBDRN O=C(Nc1ccc(CCCc2ccccc2)cc1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001360567416 1065558634 /nfs/dbraw/zinc/55/86/34/1065558634.db2.gz GXVDZNBHIVWHGB-UHFFFAOYSA-N 0 0 457.486 4.676 20 5 JJBDRN C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001437513150 1065565623 /nfs/dbraw/zinc/56/56/23/1065565623.db2.gz VGNSAKLQZGPOEK-QHRIQVFBSA-N 0 0 451.292 4.589 20 5 JJBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1coc(-c2ccc(Br)cc2F)n1 ZINC001437525746 1065566651 /nfs/dbraw/zinc/56/66/51/1065566651.db2.gz IGNZOSVTPRASLG-UHFFFAOYSA-N 0 0 457.215 4.952 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccnc(C(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])C1 ZINC001437551591 1065572196 /nfs/dbraw/zinc/57/21/96/1065572196.db2.gz RPVBAPQHIXVOKR-IYBDPMFKSA-N 0 0 454.527 4.680 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001437553879 1065573205 /nfs/dbraw/zinc/57/32/05/1065573205.db2.gz VMRRYDBSXNDTBU-TZIWHRDSSA-N 0 0 453.539 4.735 20 5 JJBDRN CC(C)c1ccc(C(C)(C)NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC001437635073 1065587089 /nfs/dbraw/zinc/58/70/89/1065587089.db2.gz VCTSRGHIXKYTCF-UHFFFAOYSA-N 0 0 452.292 4.988 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001437687464 1065591403 /nfs/dbraw/zinc/59/14/03/1065591403.db2.gz PLWOHVQBWNNBDR-HXUWFJFHSA-N 0 0 455.511 4.772 20 5 JJBDRN CC[C@@H](CCc1ccccc1)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001437731582 1065596872 /nfs/dbraw/zinc/59/68/72/1065596872.db2.gz VOIMDKZCQOWDNH-CPJSRVTESA-N 0 0 455.555 4.862 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2[N+](=O)[O-])C1 ZINC001437789766 1065606789 /nfs/dbraw/zinc/60/67/89/1065606789.db2.gz AFAYWLUNSGMUKQ-KDURUIRLSA-N 0 0 453.659 4.595 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3ccc([Si](C)(C)C)cc3)cc2[N+](=O)[O-])C1 ZINC001437789774 1065606850 /nfs/dbraw/zinc/60/68/50/1065606850.db2.gz AFAYWLUNSGMUKQ-OALUTQOASA-N 0 0 453.659 4.595 20 5 JJBDRN COc1ccc(C(C)(C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1F ZINC001437841535 1065618421 /nfs/dbraw/zinc/61/84/21/1065618421.db2.gz NAOVRIWOJCULAU-OAHLLOKOSA-N 0 0 452.486 4.976 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1[N+](=O)[O-] ZINC001437841765 1065618485 /nfs/dbraw/zinc/61/84/85/1065618485.db2.gz LIMGCHPLYOLZSD-SFHVURJKSA-N 0 0 458.490 4.564 20 5 JJBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001437945082 1065633501 /nfs/dbraw/zinc/63/35/01/1065633501.db2.gz FOUKPPOLSKOVCK-AWEZNQCLSA-N 0 0 453.358 4.839 20 5 JJBDRN O=C(Oc1ccc2cccnc2c1Br)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001438005931 1065645942 /nfs/dbraw/zinc/64/59/42/1065645942.db2.gz QERGNXLXGKUWSW-UHFFFAOYSA-N 0 0 452.058 4.887 20 5 JJBDRN C[C@H](N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2=CCCCC2)CC1)C(F)(F)F ZINC001360632016 1065683171 /nfs/dbraw/zinc/68/31/71/1065683171.db2.gz GTPPUQUUMJJDOV-KRWDZBQOSA-N 0 0 478.519 4.817 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1[N+](=O)[O-])c1ccccn1 ZINC001438167171 1065684221 /nfs/dbraw/zinc/68/42/21/1065684221.db2.gz WDWQWNBUTCZCBC-HOTGVXAUSA-N 0 0 459.506 4.885 20 5 JJBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc(F)c(Cl)cc1I ZINC001438167947 1065685148 /nfs/dbraw/zinc/68/51/48/1065685148.db2.gz VBZGDJGEUMDQBN-UHFFFAOYSA-N 0 0 452.582 4.692 20 5 JJBDRN COC(=O)[C@@](C)(NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001438222386 1065700182 /nfs/dbraw/zinc/70/01/82/1065700182.db2.gz IISBDNGJNGSIMH-VWLOTQADSA-N 0 0 450.491 4.971 20 5 JJBDRN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2F)n1 ZINC001438278095 1065705886 /nfs/dbraw/zinc/70/58/86/1065705886.db2.gz GXYOKDLRIAXYRR-UHFFFAOYSA-N 0 0 454.439 4.563 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC001438362801 1065716368 /nfs/dbraw/zinc/71/63/68/1065716368.db2.gz ZJNGUIYCPYIDTQ-FZKQIMNGSA-N 0 0 456.392 4.808 20 5 JJBDRN COc1cccc(-n2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)nc3ccccc32)c1 ZINC001360678913 1065734642 /nfs/dbraw/zinc/73/46/42/1065734642.db2.gz VYLSJYGVTYXNOC-UHFFFAOYSA-N 0 0 454.389 4.796 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1cc(Cl)cc(Br)c1 ZINC001438870634 1065761075 /nfs/dbraw/zinc/76/10/75/1065761075.db2.gz YEDOBVQEXTUKKC-UHFFFAOYSA-N 0 0 450.091 4.705 20 5 JJBDRN CC(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001360735264 1065763424 /nfs/dbraw/zinc/76/34/24/1065763424.db2.gz FJKCZZFOZSXZLJ-GFCCVEGCSA-N 0 0 454.285 4.835 20 5 JJBDRN COc1cccc([C@H]2CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2(C)C)c1 ZINC001438964658 1065772146 /nfs/dbraw/zinc/77/21/46/1065772146.db2.gz JYHMCBQBUAWZDR-MRXNPFEDSA-N 0 0 450.438 4.622 20 5 JJBDRN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1[N+](=O)[O-] ZINC001439029925 1065778687 /nfs/dbraw/zinc/77/86/87/1065778687.db2.gz DJDIHLUZLNCNPG-UKRRQHHQSA-N 0 0 450.322 4.631 20 5 JJBDRN CN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1(Cc2ccccc2)CCCC1 ZINC001439095936 1065784788 /nfs/dbraw/zinc/78/47/88/1065784788.db2.gz VPSCRAAAZGYSNR-UHFFFAOYSA-N 0 0 451.552 4.502 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001439103674 1065786970 /nfs/dbraw/zinc/78/69/70/1065786970.db2.gz MTHFZOTVTMMAQV-GOSISDBHSA-N 0 0 451.951 4.938 20 5 JJBDRN CC(C)[C@H]1CCC[C@](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)(C(F)(F)F)CC1 ZINC001439133031 1065791086 /nfs/dbraw/zinc/79/10/86/1065791086.db2.gz STAJHTDGRYNZFA-HRAATJIYSA-N 0 0 457.493 4.699 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cc(Br)c2ccccc2c1 ZINC001439190237 1065796044 /nfs/dbraw/zinc/79/60/44/1065796044.db2.gz ARUXIPBHLTUSKO-UHFFFAOYSA-N 0 0 458.268 4.668 20 5 JJBDRN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001439278655 1065810321 /nfs/dbraw/zinc/81/03/21/1065810321.db2.gz OTUUGEJGQXYJRK-UHFFFAOYSA-N 0 0 450.442 4.700 20 5 JJBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001360758902 1065826987 /nfs/dbraw/zinc/82/69/87/1065826987.db2.gz HTSYSRQJGWWHRY-UHFFFAOYSA-N 0 0 456.218 4.908 20 5 JJBDRN CN(CC(=O)Nc1ccccc1COC(C)(C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001439449858 1065830239 /nfs/dbraw/zinc/83/02/39/1065830239.db2.gz JBAIIIPAEMLZLD-UHFFFAOYSA-N 0 0 450.333 4.747 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1OC ZINC001439543369 1065839677 /nfs/dbraw/zinc/83/96/77/1065839677.db2.gz CAHRGGFWIWFRSA-CQSZACIVSA-N 0 0 452.429 4.828 20 5 JJBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439635871 1065850386 /nfs/dbraw/zinc/85/03/86/1065850386.db2.gz DFXVLSAVWBCBEH-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN COc1cc(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)c([N+](=O)[O-])cc1F ZINC001439803142 1065880731 /nfs/dbraw/zinc/88/07/31/1065880731.db2.gz ZOBOOZDJWAULAS-UHFFFAOYSA-N 0 0 453.142 4.656 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001360779311 1065886344 /nfs/dbraw/zinc/88/63/44/1065886344.db2.gz JURHOVZXXXLYSA-UHFFFAOYSA-N 0 0 451.292 4.503 20 5 JJBDRN C[C@@H](OCCCn1c(CC(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC001360779988 1065888342 /nfs/dbraw/zinc/88/83/42/1065888342.db2.gz CYXJXQQVCMATSX-HXUWFJFHSA-N 0 0 495.628 4.981 20 5 JJBDRN COc1cc(Br)cc2sc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC001440041591 1065905778 /nfs/dbraw/zinc/90/57/78/1065905778.db2.gz DBPZZNHEKIHBLE-QMMMGPOBSA-N 0 0 454.277 4.857 20 5 JJBDRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001440079545 1065910126 /nfs/dbraw/zinc/91/01/26/1065910126.db2.gz UZYWLQCJNNDWSI-UHFFFAOYSA-N 0 0 455.792 4.662 20 5 JJBDRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(C)(C)C2)C1 ZINC001360801450 1065912256 /nfs/dbraw/zinc/91/22/56/1065912256.db2.gz DUNJBAUBGDUJNG-GOSISDBHSA-N 0 0 482.629 4.668 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1c(F)cc(Br)cc1F ZINC001360803956 1065915357 /nfs/dbraw/zinc/91/53/57/1065915357.db2.gz JQOBXLLMDNMLAU-UHFFFAOYSA-N 0 0 451.017 4.755 20 5 JJBDRN O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001360809531 1065923366 /nfs/dbraw/zinc/92/33/66/1065923366.db2.gz IXCCZLLQIUGHGA-RUZDIDTESA-N 0 0 456.502 4.528 20 5 JJBDRN CC1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001360811050 1065924317 /nfs/dbraw/zinc/92/43/17/1065924317.db2.gz DXDUQSKQQLPCKF-UHFFFAOYSA-N 0 0 490.486 4.811 20 5 JJBDRN CC[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(Br)c1 ZINC001360815473 1065928471 /nfs/dbraw/zinc/92/84/71/1065928471.db2.gz ZECKAWKMLGMJIS-HNNXBMFYSA-N 0 0 457.328 4.542 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc2[N+](=O)[O-])C1 ZINC001440366063 1065933158 /nfs/dbraw/zinc/93/31/58/1065933158.db2.gz BYLCVBSHIUPRBE-MFEFFIJZSA-N 0 0 458.990 4.763 20 5 JJBDRN Cc1ccccc1[C@H](C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001440414687 1065939667 /nfs/dbraw/zinc/93/96/67/1065939667.db2.gz VXFIWDUJAUBAOO-KRWDZBQOSA-N 0 0 453.520 4.755 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])cc2)cc1 ZINC001440520716 1065946761 /nfs/dbraw/zinc/94/67/61/1065946761.db2.gz QEUJPDXUAOLVCF-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCC2)C1 ZINC001360835006 1065946937 /nfs/dbraw/zinc/94/69/37/1065946937.db2.gz MRIDYQOVKJEYRO-GOSISDBHSA-N 0 0 484.601 4.785 20 5 JJBDRN Cc1ccc(NCCCNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c([N+](=O)[O-])c1 ZINC001360843303 1065951951 /nfs/dbraw/zinc/95/19/51/1065951951.db2.gz NYNOAHCEXPSMKZ-UHFFFAOYSA-N 0 0 450.973 4.903 20 5 JJBDRN O=C(Nc1ccc(OC(=O)[C@@H]2CCc3cccc(O)c32)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001440665206 1065960683 /nfs/dbraw/zinc/96/06/83/1065960683.db2.gz JGVWXUDLBXDZGC-QGZVFWFLSA-N 0 0 452.850 4.842 20 5 JJBDRN CCc1[nH]c(=O)c(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1C ZINC001440667957 1065961391 /nfs/dbraw/zinc/96/13/91/1065961391.db2.gz RIHCVSYKGKBWDV-UHFFFAOYSA-N 0 0 455.854 4.691 20 5 JJBDRN CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001360851381 1065964274 /nfs/dbraw/zinc/96/42/74/1065964274.db2.gz JAPUCSWGQBYZHB-CVEARBPZSA-N 0 0 476.375 4.547 20 5 JJBDRN C[C@@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC001440729051 1065971375 /nfs/dbraw/zinc/97/13/75/1065971375.db2.gz SUNCNVHOJAISKG-ZCFIWIBFSA-N 0 0 451.079 4.876 20 5 JJBDRN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001440733127 1065972055 /nfs/dbraw/zinc/97/20/55/1065972055.db2.gz IZNBLTOWLMQPDK-SFHVURJKSA-N 0 0 452.736 4.578 20 5 JJBDRN CC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1 ZINC001440807949 1065980540 /nfs/dbraw/zinc/98/05/40/1065980540.db2.gz GEODPNHKFIXXAO-UHFFFAOYSA-N 0 0 452.898 4.749 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001441048249 1066003882 /nfs/dbraw/zinc/00/38/82/1066003882.db2.gz KOFKKWXTJFTWSR-INIZCTEOSA-N 0 0 456.667 4.830 20 5 JJBDRN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001441241386 1066019235 /nfs/dbraw/zinc/01/92/35/1066019235.db2.gz MRCWCPMOAHCKOB-INIZCTEOSA-N 0 0 456.713 4.727 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001441288698 1066022853 /nfs/dbraw/zinc/02/28/53/1066022853.db2.gz KZZBSAOKWPSOJO-AUUYWEPGSA-N 0 0 451.951 4.821 20 5 JJBDRN CC1=C(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001360885169 1066039945 /nfs/dbraw/zinc/03/99/45/1066039945.db2.gz VWRYAKRCRXMTQA-UHFFFAOYSA-N 0 0 482.585 4.799 20 5 JJBDRN CCCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1cccc(F)c1 ZINC001360901787 1066055521 /nfs/dbraw/zinc/05/55/21/1066055521.db2.gz AZGHIMMUOQDDAM-UHFFFAOYSA-N 0 0 452.486 4.556 20 5 JJBDRN Cc1nc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(Cl)=C(Cl)C2)sc1C ZINC001360902244 1066055779 /nfs/dbraw/zinc/05/57/79/1066055779.db2.gz DGVXWFWTEKLQAK-UHFFFAOYSA-N 0 0 465.366 4.874 20 5 JJBDRN O=C(c1nccc2c(Br)cccc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001360901978 1066055799 /nfs/dbraw/zinc/05/57/99/1066055799.db2.gz HKWGOABEYIDGIJ-UHFFFAOYSA-N 0 0 456.296 4.589 20 5 JJBDRN Cc1ccc2c(CC(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)coc2c1 ZINC001441731279 1066064705 /nfs/dbraw/zinc/06/47/05/1066064705.db2.gz AIFSETXJEYAOIC-HXUWFJFHSA-N 0 0 450.491 4.820 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1cc(C2CC2)cnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001441736905 1066065618 /nfs/dbraw/zinc/06/56/18/1066065618.db2.gz LVJKJMZMFGBJEE-GOSISDBHSA-N 0 0 457.914 4.762 20 5 JJBDRN Cc1cccc(C)c1OCCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441741854 1066066601 /nfs/dbraw/zinc/06/66/01/1066066601.db2.gz WZEHEYYIPHNPMR-NRFANRHFSA-N 0 0 454.523 4.609 20 5 JJBDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001360917476 1066073017 /nfs/dbraw/zinc/07/30/17/1066073017.db2.gz QWWJXVZQUKDVBS-UHFFFAOYSA-N 0 0 455.711 4.883 20 5 JJBDRN COc1cc(C(=O)NC[C@@H](C)Cn2ccnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001441897619 1066080056 /nfs/dbraw/zinc/08/00/56/1066080056.db2.gz UXYABJHJKSDVIQ-CQSZACIVSA-N 0 0 458.902 4.620 20 5 JJBDRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001360925341 1066081000 /nfs/dbraw/zinc/08/10/00/1066081000.db2.gz ANCHGEDAFKQWAA-UHFFFAOYSA-N 0 0 457.408 4.872 20 5 JJBDRN O=C(NCC1(c2ccc(Br)cc2)CCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001442092227 1066092620 /nfs/dbraw/zinc/09/26/20/1066092620.db2.gz WYJUDHWROVMDPG-UHFFFAOYSA-N 0 0 455.255 4.810 20 5 JJBDRN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Br ZINC001360936178 1066096075 /nfs/dbraw/zinc/09/60/75/1066096075.db2.gz NGEHCVSPFRTTRI-UHFFFAOYSA-N 0 0 456.749 4.816 20 5 JJBDRN COC(=O)c1ccc(Br)c(C)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001360938434 1066097056 /nfs/dbraw/zinc/09/70/56/1066097056.db2.gz UVWUDUSVZOXRMT-NSHDSACASA-N 0 0 453.314 4.572 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F ZINC001360959184 1066116220 /nfs/dbraw/zinc/11/62/20/1066116220.db2.gz RHESVFPYLVBIBL-AWEZNQCLSA-N 0 0 454.401 4.530 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360959756 1066117620 /nfs/dbraw/zinc/11/76/20/1066117620.db2.gz ORHJVNVTEXZTAV-PKOBYXMFSA-N 0 0 496.568 4.543 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360959755 1066117654 /nfs/dbraw/zinc/11/76/54/1066117654.db2.gz ORHJVNVTEXZTAV-MJGOQNOKSA-N 0 0 496.568 4.543 20 5 JJBDRN Cc1cc([C@](C)(O)Cn2c(C(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC001360997659 1066176418 /nfs/dbraw/zinc/17/64/18/1066176418.db2.gz LZLSZAOYBYCNPZ-XMMPIXPASA-N 0 0 453.543 4.596 20 5 JJBDRN Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(I)c([N+](=O)[O-])c2)o1 ZINC001361013039 1066198035 /nfs/dbraw/zinc/19/80/35/1066198035.db2.gz YLKCJCDDADIYMX-OAHLLOKOSA-N 0 0 454.264 4.858 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC001442940464 1066244533 /nfs/dbraw/zinc/24/45/33/1066244533.db2.gz OGOFCCPSXBKWEG-OAQYLSRUSA-N 0 0 459.502 4.536 20 5 JJBDRN O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001443086572 1066263900 /nfs/dbraw/zinc/26/39/00/1066263900.db2.gz BKIHELQNQLZQFN-UHFFFAOYSA-N 0 0 451.280 4.831 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)NCC(=O)c2cc(Cl)ccc2F)cc1[N+](=O)[O-])c1ccccn1 ZINC001454407152 1066279487 /nfs/dbraw/zinc/27/94/87/1066279487.db2.gz FLKQPXPARFXQRI-CYBMUJFWSA-N 0 0 456.861 4.568 20 5 JJBDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001443291732 1066290447 /nfs/dbraw/zinc/29/04/47/1066290447.db2.gz BWSKQTOTJYRPHM-UTKZUKDTSA-N 0 0 459.568 4.793 20 5 JJBDRN Cc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2cccnc2)C(C)C)no1 ZINC001361054849 1066291451 /nfs/dbraw/zinc/29/14/51/1066291451.db2.gz IQLWOVAUZVALQS-QFIPXVFZSA-N 0 0 461.526 4.621 20 5 JJBDRN CC[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546063842 1066310156 /nfs/dbraw/zinc/31/01/56/1066310156.db2.gz DPAPANSSMMXFHR-OAQYLSRUSA-N 0 0 475.475 4.531 20 5 JJBDRN CC[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc(Br)cn2)C1 ZINC001546063864 1066310214 /nfs/dbraw/zinc/31/02/14/1066310214.db2.gz DWRDPDVEWDRFSF-OAQYLSRUSA-N 0 0 488.390 4.529 20 5 JJBDRN COC(=O)CCSc1cc(Cl)ccc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001454632100 1066312691 /nfs/dbraw/zinc/31/26/91/1066312691.db2.gz DYPPQZBKLLKJOP-UHFFFAOYSA-N 0 0 452.916 4.619 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC001443487668 1066317350 /nfs/dbraw/zinc/31/73/50/1066317350.db2.gz HXBJUPAHGZJRNQ-DEOSSOPVSA-N 0 0 454.527 4.762 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001454773980 1066333053 /nfs/dbraw/zinc/33/30/53/1066333053.db2.gz ZRWPKEOKUAHVDC-UHFFFAOYSA-N 0 0 452.511 4.503 20 5 JJBDRN CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001454879659 1066337678 /nfs/dbraw/zinc/33/76/78/1066337678.db2.gz OLKZGBJGTDBFRE-KRWDZBQOSA-N 0 0 450.413 4.600 20 5 JJBDRN CC(C)COc1ccc(C(C)(C)NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)cc1 ZINC001443630096 1066340187 /nfs/dbraw/zinc/34/01/87/1066340187.db2.gz MLZYQVXSADKKFN-UHFFFAOYSA-N 0 0 450.333 4.639 20 5 JJBDRN COc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1Br ZINC001455045060 1066355215 /nfs/dbraw/zinc/35/52/15/1066355215.db2.gz FSPJFVPQEUMNTL-UHFFFAOYSA-N 0 0 455.334 4.624 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545961392 1066356582 /nfs/dbraw/zinc/35/65/82/1066356582.db2.gz UXURDSYNGSLHPC-YQVWRLOYSA-N 0 0 472.590 4.639 20 5 JJBDRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001443830089 1066373138 /nfs/dbraw/zinc/37/31/38/1066373138.db2.gz MHSZVNNZXAQPAI-JOCHJYFZSA-N 0 0 451.914 4.766 20 5 JJBDRN Nc1c(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001443876589 1066379902 /nfs/dbraw/zinc/37/99/02/1066379902.db2.gz DYWAQVHJBUESBP-KRWDZBQOSA-N 0 0 456.905 4.517 20 5 JJBDRN Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001455351873 1066384403 /nfs/dbraw/zinc/38/44/03/1066384403.db2.gz ULTMXPXLCAJXNF-UHFFFAOYSA-N 0 0 452.536 4.708 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC001455389014 1066385467 /nfs/dbraw/zinc/38/54/67/1066385467.db2.gz BNGNJOPWNNQRBL-UHFFFAOYSA-N 0 0 455.845 4.732 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 ZINC001455417340 1066388071 /nfs/dbraw/zinc/38/80/71/1066388071.db2.gz PTZOBZWAWVZWMR-WKILWMFISA-N 0 0 459.930 4.710 20 5 JJBDRN CC(C)(O)[C@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC001455448170 1066391289 /nfs/dbraw/zinc/39/12/89/1066391289.db2.gz QCOANJFVCRMOQU-KJCUYJGMSA-N 0 0 451.548 4.755 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001455498884 1066398040 /nfs/dbraw/zinc/39/80/40/1066398040.db2.gz YJFDPEHYJPWMAI-LJQANCHMSA-N 0 0 456.543 4.766 20 5 JJBDRN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455674281 1066422358 /nfs/dbraw/zinc/42/23/58/1066422358.db2.gz DEHXEKRUYSLIQE-GOSISDBHSA-N 0 0 458.518 4.578 20 5 JJBDRN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001444263265 1066438452 /nfs/dbraw/zinc/43/84/52/1066438452.db2.gz FTLRDBUDWBQPFM-IBGZPJMESA-N 0 0 459.325 4.635 20 5 JJBDRN CCCCCN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001444354562 1066453870 /nfs/dbraw/zinc/45/38/70/1066453870.db2.gz ATUXITAOLJOCCH-UHFFFAOYSA-N 0 0 452.338 4.850 20 5 JJBDRN O=C(CCOCC(F)(F)F)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001444390829 1066457404 /nfs/dbraw/zinc/45/74/04/1066457404.db2.gz ZBCSOVKSPVKPTI-UHFFFAOYSA-N 0 0 450.772 4.765 20 5 JJBDRN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001455978802 1066465788 /nfs/dbraw/zinc/46/57/88/1066465788.db2.gz SIGXGILKWMDVHH-UHFFFAOYSA-N 0 0 451.870 4.672 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC001361161589 1066467785 /nfs/dbraw/zinc/46/77/85/1066467785.db2.gz RDXLEJGPECCIDP-RZUBCFFCSA-N 0 0 451.567 4.756 20 5 JJBDRN O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC001456003053 1066470275 /nfs/dbraw/zinc/47/02/75/1066470275.db2.gz FAPCUEVCKMHHMU-UHFFFAOYSA-N 0 0 451.523 4.862 20 5 JJBDRN Cc1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)c1C ZINC001444514095 1066471597 /nfs/dbraw/zinc/47/15/97/1066471597.db2.gz ZEPKAPIOIZZVNQ-SFHVURJKSA-N 0 0 450.276 4.794 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccnn3Cc3ccccc3F)cc2[N+](=O)[O-])C1 ZINC001456011283 1066471772 /nfs/dbraw/zinc/47/17/72/1066471772.db2.gz SCJZZBYHRPQOOU-CALCHBBNSA-N 0 0 451.502 4.713 20 5 JJBDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001456015548 1066473966 /nfs/dbraw/zinc/47/39/66/1066473966.db2.gz DKWPCVDURUIVEV-UHFFFAOYSA-N 0 0 459.568 4.569 20 5 JJBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001456071394 1066502712 /nfs/dbraw/zinc/50/27/12/1066502712.db2.gz BIAORIJUJOUOCH-GOSISDBHSA-N 0 0 456.974 4.815 20 5 JJBDRN CCN(CC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC001444770154 1066503120 /nfs/dbraw/zinc/50/31/20/1066503120.db2.gz QJVYNLUYIWFYLO-MRXNPFEDSA-N 0 0 451.589 4.571 20 5 JJBDRN Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2Cc2cccc(C(F)(F)F)n2)o1 ZINC001361187362 1066512148 /nfs/dbraw/zinc/51/21/48/1066512148.db2.gz ODRTVUDLOSHJFD-UHFFFAOYSA-N 0 0 486.454 4.896 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(Br)cc1 ZINC001456121948 1066514676 /nfs/dbraw/zinc/51/46/76/1066514676.db2.gz JTFOICFYZWJLQD-UHFFFAOYSA-N 0 0 456.134 4.743 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456127999 1066516210 /nfs/dbraw/zinc/51/62/10/1066516210.db2.gz XBEGKFPQUVBIJH-HXUWFJFHSA-N 0 0 453.539 4.945 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001444964153 1066523568 /nfs/dbraw/zinc/52/35/68/1066523568.db2.gz BADLZTBQYCXUDL-PIGZYNQJSA-N 0 0 454.239 4.562 20 5 JJBDRN COc1cc(C(=O)Nc2cccnc2NC(C)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001546080235 1066525753 /nfs/dbraw/zinc/52/57/53/1066525753.db2.gz GHGDZXBKIOLUIN-UHFFFAOYSA-N 0 0 456.842 4.655 20 5 JJBDRN COc1cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001456219009 1066540011 /nfs/dbraw/zinc/54/00/11/1066540011.db2.gz LARJUVLXZYIPPA-UHFFFAOYSA-N 0 0 452.511 4.757 20 5 JJBDRN COc1cc(F)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1OC ZINC001456251309 1066546548 /nfs/dbraw/zinc/54/65/48/1066546548.db2.gz XIPCABBXIQGYDM-HNNXBMFYSA-N 0 0 453.470 4.854 20 5 JJBDRN COc1cc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c([N+](=O)[O-])cc1OC(F)F ZINC001456253958 1066547367 /nfs/dbraw/zinc/54/73/67/1066547367.db2.gz RNLGXGRADHSDPA-UHFFFAOYSA-N 0 0 450.423 4.592 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc21 ZINC001456265103 1066549367 /nfs/dbraw/zinc/54/93/67/1066549367.db2.gz FSWXDIYJZNWDND-OAHLLOKOSA-N 0 0 457.552 4.976 20 5 JJBDRN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001456266013 1066549825 /nfs/dbraw/zinc/54/98/25/1066549825.db2.gz MQKZWGLHUIMHOU-UHFFFAOYSA-N 0 0 453.455 4.720 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2C1 ZINC001456285394 1066555178 /nfs/dbraw/zinc/55/51/78/1066555178.db2.gz ZEKWOJLIYAEJQQ-UHFFFAOYSA-N 0 0 452.511 4.715 20 5 JJBDRN O=C(NCCc1ccc(Br)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001456286911 1066555686 /nfs/dbraw/zinc/55/56/86/1066555686.db2.gz RQAOXNGYXQQFDH-UHFFFAOYSA-N 0 0 455.308 4.909 20 5 JJBDRN COc1cc(C(=O)N[C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001456303795 1066559714 /nfs/dbraw/zinc/55/97/14/1066559714.db2.gz VYVDYJODQSQPMR-JOCHJYFZSA-N 0 0 453.520 4.828 20 5 JJBDRN COc1ccc(-c2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2)cc1 ZINC001456329884 1066563806 /nfs/dbraw/zinc/56/38/06/1066563806.db2.gz KAPOKKICLHVDIX-UHFFFAOYSA-N 0 0 455.308 4.892 20 5 JJBDRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001456346067 1066566386 /nfs/dbraw/zinc/56/63/86/1066566386.db2.gz UYIMKDGHCURZSY-OAQYLSRUSA-N 0 0 451.548 4.515 20 5 JJBDRN Cc1c[nH]c(C2(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)CCOCC2)n1 ZINC001456369211 1066572520 /nfs/dbraw/zinc/57/25/20/1066572520.db2.gz SCTNFMYLCZDGAR-UHFFFAOYSA-N 0 0 456.886 4.508 20 5 JJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456392578 1066576597 /nfs/dbraw/zinc/57/65/97/1066576597.db2.gz NTFXMHXWBZLWEW-INIZCTEOSA-N 0 0 456.545 4.688 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1nc(Br)ccc1Br ZINC001456397841 1066578031 /nfs/dbraw/zinc/57/80/31/1066578031.db2.gz IYHMDCNTCXUXCC-UHFFFAOYSA-N 0 0 450.470 4.696 20 5 JJBDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001361240669 1066582568 /nfs/dbraw/zinc/58/25/68/1066582568.db2.gz OZFHYBQPKKEZSN-OAHLLOKOSA-N 0 0 452.292 4.601 20 5 JJBDRN Cc1cccc(OC[C@H](O)CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC001445534879 1066584314 /nfs/dbraw/zinc/58/43/14/1066584314.db2.gz OGLJZIDBMDJGSQ-GOSISDBHSA-N 0 0 456.882 4.519 20 5 JJBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001456486037 1066596423 /nfs/dbraw/zinc/59/64/23/1066596423.db2.gz DEEGFPCQOYOTKV-UHFFFAOYSA-N 0 0 457.408 4.725 20 5 JJBDRN Cc1nn(-c2ccc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1Br ZINC001361252360 1066599900 /nfs/dbraw/zinc/59/99/00/1066599900.db2.gz HMVLMDXYXORKKG-CYBMUJFWSA-N 0 0 457.328 4.959 20 5 JJBDRN C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456503066 1066603775 /nfs/dbraw/zinc/60/37/75/1066603775.db2.gz XINPYHBTSRJFGZ-OAHLLOKOSA-N 0 0 452.898 4.706 20 5 JJBDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC001445695400 1066605761 /nfs/dbraw/zinc/60/57/61/1066605761.db2.gz CMYHMKFBUSDZPX-ZDUSSCGKSA-N 0 0 452.433 4.978 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001361257951 1066606964 /nfs/dbraw/zinc/60/69/64/1066606964.db2.gz QGKUASNVMZIMSY-IQGLISFBSA-N 0 0 453.539 4.659 20 5 JJBDRN O=C(Nc1ccccc1CC(F)(F)F)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456511203 1066607128 /nfs/dbraw/zinc/60/71/28/1066607128.db2.gz YVSFOQWSAJKUKO-UHFFFAOYSA-N 0 0 450.154 4.557 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)Cc2ccc(Br)c(Br)c2)cc1[N+](=O)[O-] ZINC001361257925 1066607110 /nfs/dbraw/zinc/60/71/10/1066607110.db2.gz PZEWPVQJLBDNDX-NSHDSACASA-N 0 0 456.134 4.848 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001456536430 1066616772 /nfs/dbraw/zinc/61/67/72/1066616772.db2.gz RQVAMLCKKWMGBY-UHFFFAOYSA-N 0 0 459.481 4.583 20 5 JJBDRN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 ZINC001456582851 1066631686 /nfs/dbraw/zinc/63/16/86/1066631686.db2.gz GPXZAEUZZFLGOH-GOSISDBHSA-N 0 0 450.276 4.875 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2cc(C)nc3cc(Br)ccc32)c([N+](=O)[O-])c1 ZINC001456622810 1066648329 /nfs/dbraw/zinc/64/83/29/1066648329.db2.gz JSHIJLLVUBQFMV-UHFFFAOYSA-N 0 0 457.328 4.754 20 5 JJBDRN CCC[C@@H](C)N(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1nc(C)c(C(=O)OCC)s1 ZINC001456635026 1066652782 /nfs/dbraw/zinc/65/27/82/1066652782.db2.gz DRXWRCYATQFNJN-LLVKDONJSA-N 0 0 453.492 4.520 20 5 JJBDRN CC1=CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccsc2Br)C1 ZINC001492609502 1066671214 /nfs/dbraw/zinc/67/12/14/1066671214.db2.gz VXUWXGLSZACWRF-UHFFFAOYSA-N 0 0 460.357 4.882 20 5 JJBDRN CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)nc1C ZINC001446237379 1066677287 /nfs/dbraw/zinc/67/72/87/1066677287.db2.gz ABSDVEIYRVLJEC-UHFFFAOYSA-N 0 0 452.898 4.696 20 5 JJBDRN CC[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001456751547 1066681281 /nfs/dbraw/zinc/68/12/81/1066681281.db2.gz UVOCSLHQZPGAJK-KRWDZBQOSA-N 0 0 452.292 4.686 20 5 JJBDRN CC[C@H](Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545984965 1066696436 /nfs/dbraw/zinc/69/64/36/1066696436.db2.gz SRRAUVBZNFZNQO-LJQANCHMSA-N 0 0 484.601 4.926 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001456812036 1066698550 /nfs/dbraw/zinc/69/85/50/1066698550.db2.gz JKZWYGZIELLCJD-UHFFFAOYSA-N 0 0 450.341 4.952 20 5 JJBDRN Cc1c(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001446390214 1066700957 /nfs/dbraw/zinc/70/09/57/1066700957.db2.gz HEIFZSQGQGZBPM-LLVKDONJSA-N 0 0 458.418 4.615 20 5 JJBDRN Cc1cnc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)s1 ZINC001492629604 1066701410 /nfs/dbraw/zinc/70/14/10/1066701410.db2.gz DKNRAVOQRUKAOX-ZDUSSCGKSA-N 0 0 469.596 4.823 20 5 JJBDRN C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001446400607 1066702608 /nfs/dbraw/zinc/70/26/08/1066702608.db2.gz UAUUBTNPHBNXFB-ZIAGYGMSSA-N 0 0 454.470 4.998 20 5 JJBDRN Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001492631911 1066709449 /nfs/dbraw/zinc/70/94/49/1066709449.db2.gz UEMGNRDZRJHCCX-HNNXBMFYSA-N 0 0 454.600 4.906 20 5 JJBDRN COc1cc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1C ZINC001456895718 1066716463 /nfs/dbraw/zinc/71/64/63/1066716463.db2.gz NZHFKSXTWRDFFD-UHFFFAOYSA-N 0 0 453.358 4.975 20 5 JJBDRN CC(C)Oc1cc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)ccn1 ZINC001446572504 1066722938 /nfs/dbraw/zinc/72/29/38/1066722938.db2.gz VRQVCKPBFKPMKU-UHFFFAOYSA-N 0 0 454.914 4.973 20 5 JJBDRN CCCc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F ZINC001457017338 1066743836 /nfs/dbraw/zinc/74/38/36/1066743836.db2.gz DHJXNQLPDRVLMN-CQSZACIVSA-N 0 0 458.465 4.819 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC001457020341 1066745489 /nfs/dbraw/zinc/74/54/89/1066745489.db2.gz RSVWIBIIZZIQRI-UHFFFAOYSA-N 0 0 454.078 4.557 20 5 JJBDRN Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C)n2)c1 ZINC001492645761 1066747060 /nfs/dbraw/zinc/74/70/60/1066747060.db2.gz IEPTWLFXMDWZRE-UHFFFAOYSA-N 0 0 454.581 4.867 20 5 JJBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1C(F)(F)F ZINC001457112164 1066764890 /nfs/dbraw/zinc/76/48/90/1066764890.db2.gz PBEJYSVHWAFYRP-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001447085207 1066771907 /nfs/dbraw/zinc/77/19/07/1066771907.db2.gz WPZMAQHRRAVSTM-QMMMGPOBSA-N 0 0 450.656 4.842 20 5 JJBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447117334 1066776292 /nfs/dbraw/zinc/77/62/92/1066776292.db2.gz YVPYPHAAWVHLHC-MRXNPFEDSA-N 0 0 456.667 4.830 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc([N+](=O)[O-])c1 ZINC001457204170 1066788743 /nfs/dbraw/zinc/78/87/43/1066788743.db2.gz IPTRDJSCTIPSDR-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001457222519 1066793484 /nfs/dbraw/zinc/79/34/84/1066793484.db2.gz LDJPPCIELQNUPY-UHFFFAOYSA-N 0 0 450.289 4.634 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001447406736 1066805221 /nfs/dbraw/zinc/80/52/21/1066805221.db2.gz VNQXWXZTADFLDY-UHFFFAOYSA-N 0 0 458.729 4.673 20 5 JJBDRN O=C(Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1)c1ccc([N+](=O)[O-])s1 ZINC001457317622 1066809249 /nfs/dbraw/zinc/80/92/49/1066809249.db2.gz WBJFHEGLUDXCKZ-UHFFFAOYSA-N 0 0 454.439 4.719 20 5 JJBDRN Cc1cc(C)c2c(c1)CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)C2 ZINC001457367111 1066818284 /nfs/dbraw/zinc/81/82/84/1066818284.db2.gz INQIRBHAGDXCCD-VWLOTQADSA-N 0 0 453.539 4.536 20 5 JJBDRN Cc1[nH]nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1-c1ccc(Br)cc1 ZINC001457416969 1066826565 /nfs/dbraw/zinc/82/65/65/1066826565.db2.gz KXFQBAQGGDKZBI-UHFFFAOYSA-N 0 0 451.227 4.786 20 5 JJBDRN Cc1nc(CCn2c(CC3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC001492692131 1066837579 /nfs/dbraw/zinc/83/75/79/1066837579.db2.gz UEUSVUPGTOABRL-UHFFFAOYSA-N 0 0 454.600 4.606 20 5 JJBDRN CCOC(=O)C[C@@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447692885 1066843480 /nfs/dbraw/zinc/84/34/80/1066843480.db2.gz WZSJLTJVHLWCJK-WIZMWCRPSA-N 0 0 453.520 4.593 20 5 JJBDRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001447790781 1066858374 /nfs/dbraw/zinc/85/83/74/1066858374.db2.gz BMCJOCWGZGHWOA-UHFFFAOYSA-N 0 0 450.294 4.560 20 5 JJBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cccc([N+](=O)[O-])c4Br)CC3)c2c1 ZINC001457566456 1066863941 /nfs/dbraw/zinc/86/39/41/1066863941.db2.gz NMCYOWDVSPIDDY-UHFFFAOYSA-N 0 0 458.312 4.867 20 5 JJBDRN CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n[nH]c1-c1ccncc1 ZINC001457573247 1066867803 /nfs/dbraw/zinc/86/78/03/1066867803.db2.gz GPUZYCPEPHLYAJ-UHFFFAOYSA-N 0 0 450.680 4.611 20 5 JJBDRN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)cc1[N+](=O)[O-] ZINC001457592874 1066874145 /nfs/dbraw/zinc/87/41/45/1066874145.db2.gz KIBRZWRRTRWABH-UHFFFAOYSA-N 0 0 450.447 4.611 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)cc1[N+](=O)[O-] ZINC001457621240 1066882623 /nfs/dbraw/zinc/88/26/23/1066882623.db2.gz UZDLTJGNNZSYHE-UHFFFAOYSA-N 0 0 457.943 4.727 20 5 JJBDRN O=C(c1cc(Br)cc(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001457712904 1066902526 /nfs/dbraw/zinc/90/25/26/1066902526.db2.gz ROTUWQVWKKYZRZ-UHFFFAOYSA-N 0 0 454.118 4.925 20 5 JJBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001457713662 1066902577 /nfs/dbraw/zinc/90/25/77/1066902577.db2.gz ONZIJDDWTKESAS-MSOLQXFVSA-N 0 0 455.268 4.682 20 5 JJBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001457713663 1066902932 /nfs/dbraw/zinc/90/29/32/1066902932.db2.gz ONZIJDDWTKESAS-QZTJIDSGSA-N 0 0 455.268 4.682 20 5 JJBDRN CNc1nccc(C(=O)N(Cc2ccco2)Cc2ccc(C)cc2Br)c1[N+](=O)[O-] ZINC001448255689 1066915253 /nfs/dbraw/zinc/91/52/53/1066915253.db2.gz WOMWYIKPYVTABK-UHFFFAOYSA-N 0 0 459.300 4.538 20 5 JJBDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001457801463 1066923652 /nfs/dbraw/zinc/92/36/52/1066923652.db2.gz DNQTZCBKUBOFJU-GFCCVEGCSA-N 0 0 456.134 4.871 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC001448425668 1066926270 /nfs/dbraw/zinc/92/62/70/1066926270.db2.gz CKUKHVCHLAMBRU-OAHLLOKOSA-N 0 0 451.228 4.703 20 5 JJBDRN Nc1c(Br)cc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC001448475291 1066930781 /nfs/dbraw/zinc/93/07/81/1066930781.db2.gz MJGHPFVBRLRPDF-UHFFFAOYSA-N 0 0 456.699 4.694 20 5 JJBDRN Cc1nnc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(Cc2ccco2)C(C)C)s1 ZINC001492765810 1066937720 /nfs/dbraw/zinc/93/77/20/1066937720.db2.gz SNHINNAAIATKAN-UHFFFAOYSA-N 0 0 467.555 4.654 20 5 JJBDRN Cc1nnc(CCn2c(Cc3ccsc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC001492768947 1066942759 /nfs/dbraw/zinc/94/27/59/1066942759.db2.gz NLQJPTKZGWFROT-UHFFFAOYSA-N 0 0 483.623 4.656 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001457952910 1066947159 /nfs/dbraw/zinc/94/71/59/1066947159.db2.gz KGAQIQQMCJNAPJ-KRWDZBQOSA-N 0 0 454.548 4.769 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC001457965269 1066949097 /nfs/dbraw/zinc/94/90/97/1066949097.db2.gz AASADRKOGCKZRS-ZAUVIXRXSA-N 0 0 459.768 4.803 20 5 JJBDRN COc1cccc(COc2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C)c1 ZINC001457984738 1066951907 /nfs/dbraw/zinc/95/19/07/1066951907.db2.gz PRESZQKMGZKVSR-UHFFFAOYSA-N 0 0 458.474 4.929 20 5 JJBDRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001448721777 1066953549 /nfs/dbraw/zinc/95/35/49/1066953549.db2.gz IYNXZAGLYXMBSF-KRWDZBQOSA-N 0 0 450.543 4.535 20 5 JJBDRN CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001457993227 1066953597 /nfs/dbraw/zinc/95/35/97/1066953597.db2.gz NSNKUNYNBLULIW-UHFFFAOYSA-N 0 0 458.227 4.768 20 5 JJBDRN CC(C)C[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC001448724158 1066953787 /nfs/dbraw/zinc/95/37/87/1066953787.db2.gz LWEDDSZBPYGWMO-LJQANCHMSA-N 0 0 455.946 4.940 20 5 JJBDRN O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001458054758 1066962566 /nfs/dbraw/zinc/96/25/66/1066962566.db2.gz IKBFCMOOTOHGQR-UHFFFAOYSA-N 0 0 458.396 4.703 20 5 JJBDRN CC(C)n1c(Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)nnc1-c1ccc(Cl)cc1Cl ZINC001458080052 1066969724 /nfs/dbraw/zinc/96/97/24/1066969724.db2.gz WBGDBBYEFPGXQD-UHFFFAOYSA-N 0 0 452.323 4.991 20 5 JJBDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458102983 1066976129 /nfs/dbraw/zinc/97/61/29/1066976129.db2.gz JLKIVMLDCAMVQH-VBKZILBWSA-N 0 0 452.429 4.669 20 5 JJBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC001458141641 1066986454 /nfs/dbraw/zinc/98/64/54/1066986454.db2.gz GOKLFRRSUDZXRO-QGZVFWFLSA-N 0 0 450.513 4.603 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NCc3c(F)cccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC001458145933 1066987638 /nfs/dbraw/zinc/98/76/38/1066987638.db2.gz SFHDXHJWILQYMQ-UHFFFAOYSA-N 0 0 455.939 4.856 20 5 JJBDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001458145092 1066987669 /nfs/dbraw/zinc/98/76/69/1066987669.db2.gz SDMCGUBWRMFDEG-SFHVURJKSA-N 0 0 456.724 4.692 20 5 JJBDRN CCOc1ccc([C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2cccc(Cl)c2)cc1 ZINC001458153096 1066989254 /nfs/dbraw/zinc/98/92/54/1066989254.db2.gz CKPHOJDGYLDTKJ-XMMPIXPASA-N 0 0 453.926 4.989 20 5 JJBDRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156571 1066991807 /nfs/dbraw/zinc/99/18/07/1066991807.db2.gz UNQZHKHDTZKNJS-UZUQRXQVSA-N 0 0 458.990 4.643 20 5 JJBDRN O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1)c1cccnc1 ZINC001458158986 1066992597 /nfs/dbraw/zinc/99/25/97/1066992597.db2.gz AHMWCAQTDRIWGM-UHFFFAOYSA-N 0 0 455.474 4.828 20 5 JJBDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001458164124 1066993442 /nfs/dbraw/zinc/99/34/42/1066993442.db2.gz BKOCWHNIJMIVGB-SFHVURJKSA-N 0 0 456.344 4.574 20 5 JJBDRN O=C(NCc1cccc(COCC(F)(F)F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458170759 1066995118 /nfs/dbraw/zinc/99/51/18/1066995118.db2.gz CDOLXTLFYGUOKC-UHFFFAOYSA-N 0 0 451.426 4.727 20 5 JJBDRN CCC(C)(C)c1ccc(CNC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 ZINC001458179650 1066998370 /nfs/dbraw/zinc/99/83/70/1066998370.db2.gz FEYZUSSVRYHVKV-UHFFFAOYSA-N 0 0 452.292 4.817 20 5 JJBDRN Cc1c(Br)c(NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)ncc1[N+](=O)[O-] ZINC001458184173 1066999422 /nfs/dbraw/zinc/99/94/22/1066999422.db2.gz GXSOCGMBLXSIEW-CQSZACIVSA-N 0 0 451.321 4.739 20 5 JJBDRN Cc1ccc(C[C@H](C)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])s1 ZINC001458205448 1067002929 /nfs/dbraw/zinc/00/29/29/1067002929.db2.gz TUTZITXXQGSBFR-CKDBGZEDSA-N 0 0 451.614 4.865 20 5 JJBDRN CCOc1ccc([C@@H](C)NC(=O)CCCNc2cccc(Br)c2[N+](=O)[O-])cc1 ZINC001458240186 1067009975 /nfs/dbraw/zinc/00/99/75/1067009975.db2.gz OYHCKHWLVVEPSO-CQSZACIVSA-N 0 0 450.333 4.826 20 5 JJBDRN CN(C)S(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001458263979 1067016293 /nfs/dbraw/zinc/01/62/93/1067016293.db2.gz FGYKXYBCDDAUKF-WBVHZDCISA-N 0 0 457.474 4.612 20 5 JJBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458281629 1067020591 /nfs/dbraw/zinc/02/05/91/1067020591.db2.gz FKKZOILINRCXNB-UHFFFAOYSA-N 0 0 452.264 4.730 20 5 JJBDRN C[C@H](c1ccccn1)N(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001458307330 1067025972 /nfs/dbraw/zinc/02/59/72/1067025972.db2.gz ACWAKMSYHYVCSI-GOSISDBHSA-N 0 0 456.506 4.650 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCCC[C@@H]2C)cc1OC ZINC001458341063 1067035488 /nfs/dbraw/zinc/03/54/88/1067035488.db2.gz ATIQCTXHIAGTBC-YJBOKZPZSA-N 0 0 456.495 4.562 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC001458342433 1067036312 /nfs/dbraw/zinc/03/63/12/1067036312.db2.gz PAUGEAQXXFSUGZ-UHFFFAOYSA-N 0 0 457.955 4.808 20 5 JJBDRN O=[N+]([O-])c1cc(Br)ccc1NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001458343596 1067036481 /nfs/dbraw/zinc/03/64/81/1067036481.db2.gz AHDYODIFHFTNIL-UHFFFAOYSA-N 0 0 452.106 4.918 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458349152 1067038939 /nfs/dbraw/zinc/03/89/39/1067038939.db2.gz SCNOJYNLIDXUEM-FOIQADDNSA-N 0 0 457.483 4.741 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC001458355845 1067041063 /nfs/dbraw/zinc/04/10/63/1067041063.db2.gz IHDQGBRTNXAKIK-PBHICJAKSA-N 0 0 457.474 4.587 20 5 JJBDRN COc1cc(N[C@@H](C)CCc2ccc(I)cc2)c([N+](=O)[O-])cc1OC ZINC001458356105 1067041347 /nfs/dbraw/zinc/04/13/47/1067041347.db2.gz AMPVFVPHRQMVGF-LBPRGKRZSA-N 0 0 456.280 4.650 20 5 JJBDRN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[C@H](Cc4ccc(Br)cc4)C3)c2c1 ZINC001458391843 1067049584 /nfs/dbraw/zinc/04/95/84/1067049584.db2.gz KYHLVPPSKJHOEL-CQSZACIVSA-N 0 0 457.284 4.883 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC001458394689 1067050290 /nfs/dbraw/zinc/05/02/90/1067050290.db2.gz LOYSNDVVETURPV-YWZLYKJASA-N 0 0 450.470 4.946 20 5 JJBDRN COc1cc(C(=O)Nc2cncc(Cl)c2Cl)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001458413885 1067055720 /nfs/dbraw/zinc/05/57/20/1067055720.db2.gz CZKNXBWLZYBPKA-UHFFFAOYSA-N 0 0 455.279 4.593 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)SC ZINC001545772674 1067061519 /nfs/dbraw/zinc/06/15/19/1067061519.db2.gz IBCKFXHYJVVHIP-HOOSLVGPSA-N 0 0 489.642 4.548 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2F)CC1)SC ZINC001545773104 1067063521 /nfs/dbraw/zinc/06/35/21/1067063521.db2.gz WTCATNKOQAMRCM-UHFFFAOYSA-N 0 0 499.616 4.636 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001458447317 1067064024 /nfs/dbraw/zinc/06/40/24/1067064024.db2.gz IDRBBXVZBXLMOH-PKTZIBPZSA-N 0 0 455.511 4.859 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC001450265809 1067066681 /nfs/dbraw/zinc/06/66/81/1067066681.db2.gz DMGDCPPKUABTRZ-QHCPKHFHSA-N 0 0 457.530 4.815 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC001450265806 1067066738 /nfs/dbraw/zinc/06/67/38/1067066738.db2.gz DMGDCPPKUABTRZ-HSZRJFAPSA-N 0 0 457.530 4.815 20 5 JJBDRN CC1(C)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@](C)(C(F)(F)F)O1 ZINC001450270073 1067066927 /nfs/dbraw/zinc/06/69/27/1067066927.db2.gz KWBZPUQXECNXAJ-NRFANRHFSA-N 0 0 454.395 4.532 20 5 JJBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001458457098 1067067657 /nfs/dbraw/zinc/06/76/57/1067067657.db2.gz YELHSADXAGWBQR-ZWKOTPCHSA-N 0 0 460.914 4.597 20 5 JJBDRN C[C@@H]1CCC[C@]1(O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001450310558 1067071012 /nfs/dbraw/zinc/07/10/12/1067071012.db2.gz OGNLCNANTRANCD-NGYGOYNXSA-N 0 0 451.548 4.803 20 5 JJBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001450407285 1067077882 /nfs/dbraw/zinc/07/78/82/1067077882.db2.gz GHUJIANVHCVQHL-HHHXNRCGSA-N 0 0 459.546 4.664 20 5 JJBDRN C[C@H](O)C[C@@H]1CCCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001546023990 1067086784 /nfs/dbraw/zinc/08/67/84/1067086784.db2.gz RIPFRSMKDDITIV-LSJBSSBFSA-N 0 0 451.548 4.897 20 5 JJBDRN O=C(NCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc21)C(F)(F)F ZINC001458551513 1067087021 /nfs/dbraw/zinc/08/70/21/1067087021.db2.gz YTJDLEFQQNUVBB-MRXNPFEDSA-N 0 0 456.424 4.961 20 5 JJBDRN CCOC(=O)c1sc(CC2CCN(c3c4cc(F)ccc4ncc3[N+](=O)[O-])CC2)nc1C ZINC001458564148 1067088238 /nfs/dbraw/zinc/08/82/38/1067088238.db2.gz XQVFXPSWAGLKQD-UHFFFAOYSA-N 0 0 458.515 4.683 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc([N+](=O)[O-])c1 ZINC001458598466 1067092720 /nfs/dbraw/zinc/09/27/20/1067092720.db2.gz CNYHOCZSISCUPZ-NRFANRHFSA-N 0 0 453.882 4.534 20 5 JJBDRN CCC(CC)[C@@H](CCn1c(-c2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001545798329 1067099460 /nfs/dbraw/zinc/09/94/60/1067099460.db2.gz JHZWMLLQPXXWJB-HSZRJFAPSA-N 0 0 464.570 4.652 20 5 JJBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001450676595 1067101916 /nfs/dbraw/zinc/10/19/16/1067101916.db2.gz PFTLFSRNHMJJMI-SFHVURJKSA-N 0 0 456.713 4.552 20 5 JJBDRN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(F)c(F)c1 ZINC001458685651 1067108920 /nfs/dbraw/zinc/10/89/20/1067108920.db2.gz XIBHZBRFNWKAMU-OAQYLSRUSA-N 0 0 451.433 4.782 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC001458689993 1067110034 /nfs/dbraw/zinc/11/00/34/1067110034.db2.gz MDDWJWINXLKXCR-JTQLQIEISA-N 0 0 452.692 4.576 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1cc(Br)cc(Br)c1 ZINC001458807285 1067151182 /nfs/dbraw/zinc/15/11/82/1067151182.db2.gz FTYVOFZPWFNDCF-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN O=C(OCc1nc(-c2c(F)cccc2F)cs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001458818961 1067154792 /nfs/dbraw/zinc/15/47/92/1067154792.db2.gz RJPLSDWSSILCRY-UHFFFAOYSA-N 0 0 459.474 4.956 20 5 JJBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cnc(Cl)c1Br ZINC001458822272 1067156616 /nfs/dbraw/zinc/15/66/16/1067156616.db2.gz AQPFUHFTVZOOKP-UHFFFAOYSA-N 0 0 453.724 4.957 20 5 JJBDRN CN(C)C(=O)OCCSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC001458827867 1067160357 /nfs/dbraw/zinc/16/03/57/1067160357.db2.gz URMQZRIHWGPYIP-UHFFFAOYSA-N 0 0 454.430 4.743 20 5 JJBDRN CCOc1cccc(CN(CCO)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001451478497 1067174729 /nfs/dbraw/zinc/17/47/29/1067174729.db2.gz TZKGMAGDEXWRMI-UHFFFAOYSA-N 0 0 452.532 4.779 20 5 JJBDRN C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001458937476 1067203010 /nfs/dbraw/zinc/20/30/10/1067203010.db2.gz XQNCUNJHXQEQHY-VIFPVBQESA-N 0 0 454.842 4.620 20 5 JJBDRN O=C(Oc1cc(F)cc(I)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001458981559 1067217203 /nfs/dbraw/zinc/21/72/03/1067217203.db2.gz LRHOBCLEACTIST-UHFFFAOYSA-N 0 0 455.101 4.577 20 5 JJBDRN Cc1c(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001458988777 1067221721 /nfs/dbraw/zinc/22/17/21/1067221721.db2.gz AMKOCCNDVKSHDV-UHFFFAOYSA-N 0 0 453.495 4.703 20 5 JJBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC001452534113 1067232481 /nfs/dbraw/zinc/23/24/81/1067232481.db2.gz QLEHXTVVTJRTDB-MDZDMXLPSA-N 0 0 455.540 4.849 20 5 JJBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccnc2cc(Cl)ccc21 ZINC001452532248 1067232560 /nfs/dbraw/zinc/23/25/60/1067232560.db2.gz LZEJVTDMKMSXEE-UHFFFAOYSA-N 0 0 451.870 4.897 20 5 JJBDRN COc1cc(C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001459052860 1067240147 /nfs/dbraw/zinc/24/01/47/1067240147.db2.gz NXIJEMSNGWDLKZ-UHFFFAOYSA-N 0 0 451.870 4.860 20 5 JJBDRN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC001459067539 1067242918 /nfs/dbraw/zinc/24/29/18/1067242918.db2.gz DFPNLNNHHWUYPB-UHFFFAOYSA-N 0 0 450.476 4.857 20 5 JJBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001459074548 1067245256 /nfs/dbraw/zinc/24/52/56/1067245256.db2.gz QAULHKBIRWFNPX-INIZCTEOSA-N 0 0 450.922 4.861 20 5 JJBDRN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001452896739 1067260626 /nfs/dbraw/zinc/26/06/26/1067260626.db2.gz LJBZRVGCZHNZSZ-IBGZPJMESA-N 0 0 457.502 4.539 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC001452965910 1067268500 /nfs/dbraw/zinc/26/85/00/1067268500.db2.gz ULBOAPIHUCCCLB-UHFFFAOYSA-N 0 0 450.303 4.929 20 5 JJBDRN O=C(CSCCOc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001459207387 1067271169 /nfs/dbraw/zinc/27/11/69/1067271169.db2.gz XHMJNZJKCMEMBR-UHFFFAOYSA-N 0 0 454.470 4.917 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1SC ZINC001459318821 1067293616 /nfs/dbraw/zinc/29/36/16/1067293616.db2.gz OQPOXBMKZPDMLL-GFCCVEGCSA-N 0 0 452.916 4.646 20 5 JJBDRN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccccc1Br ZINC001459340817 1067298408 /nfs/dbraw/zinc/29/84/08/1067298408.db2.gz RBOVLBCSTONIGJ-AWEZNQCLSA-N 0 0 450.333 4.778 20 5 JJBDRN COc1cc(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC001459463628 1067331025 /nfs/dbraw/zinc/33/10/25/1067331025.db2.gz GYNKIZUCQMMAKL-UHFFFAOYSA-N 0 0 452.801 4.605 20 5 JJBDRN CCCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001459475376 1067334167 /nfs/dbraw/zinc/33/41/67/1067334167.db2.gz ARLRETIWVXJVIV-UHFFFAOYSA-N 0 0 459.568 4.605 20 5 JJBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001459530550 1067346329 /nfs/dbraw/zinc/34/63/29/1067346329.db2.gz SPVGCYLRXPCOOD-CQSZACIVSA-N 0 0 452.338 4.803 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC001459589030 1067358723 /nfs/dbraw/zinc/35/87/23/1067358723.db2.gz ULECGMLZRPAVOL-UHFFFAOYSA-N 0 0 450.476 4.928 20 5 JJBDRN O=C(NCc1nc(-c2cccc(F)c2)no1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001459612978 1067364071 /nfs/dbraw/zinc/36/40/71/1067364071.db2.gz BEGCQDVEWMHTQD-UHFFFAOYSA-N 0 0 450.451 4.865 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001459658919 1067373728 /nfs/dbraw/zinc/37/37/28/1067373728.db2.gz KSAPPBMZLOWTFP-UHFFFAOYSA-N 0 0 453.213 4.641 20 5 JJBDRN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663143 1067375280 /nfs/dbraw/zinc/37/52/80/1067375280.db2.gz MITDQWGMVHRGPX-GOEBONIOSA-N 0 0 455.902 4.505 20 5 JJBDRN COc1cc(CN2CCC(Nc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001459664861 1067376279 /nfs/dbraw/zinc/37/62/79/1067376279.db2.gz UKLSZHRDEFHIDD-UHFFFAOYSA-N 0 0 455.889 4.977 20 5 JJBDRN COc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001459689569 1067384692 /nfs/dbraw/zinc/38/46/92/1067384692.db2.gz LIYNRJOQDBAVEG-DNVCBOLYSA-N 0 0 454.429 4.747 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc3cnccc32)C[C@H]1C ZINC001459694261 1067386246 /nfs/dbraw/zinc/38/62/46/1067386246.db2.gz GYNNNXBQLAAZGX-QGZVFWFLSA-N 0 0 450.564 4.994 20 5 JJBDRN CO[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1Br ZINC001459713138 1067392452 /nfs/dbraw/zinc/39/24/52/1067392452.db2.gz MGEHIOTZHBWTIO-OAHLLOKOSA-N 0 0 458.106 4.754 20 5 JJBDRN Cc1ccccc1-n1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c2c1CCC2 ZINC001459750525 1067405967 /nfs/dbraw/zinc/40/59/67/1067405967.db2.gz AEJORYUBORHPAQ-UHFFFAOYSA-N 0 0 455.312 4.901 20 5 JJBDRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3OC)C2)n1 ZINC001459760607 1067411867 /nfs/dbraw/zinc/41/18/67/1067411867.db2.gz YLQSURHMQOMFIY-OAHLLOKOSA-N 0 0 453.520 4.755 20 5 JJBDRN COc1ccc(CSCC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001459801044 1067429701 /nfs/dbraw/zinc/42/97/01/1067429701.db2.gz JTDOXQNLDSRPCL-UHFFFAOYSA-N 0 0 458.458 4.787 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001459821168 1067438702 /nfs/dbraw/zinc/43/87/02/1067438702.db2.gz ZRFCXOUHVFFJHW-RDPSFJRHSA-N 0 0 457.502 4.668 20 5 JJBDRN COC[C@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC001459835949 1067446480 /nfs/dbraw/zinc/44/64/80/1067446480.db2.gz MVURZWPHUSRWMD-HNNXBMFYSA-N 0 0 456.808 4.794 20 5 JJBDRN CCn1cc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC001459870598 1067467375 /nfs/dbraw/zinc/46/73/75/1067467375.db2.gz OUXKQWPVOQSLKM-UHFFFAOYSA-N 0 0 450.442 4.911 20 5 JJBDRN Cn1cc(C(=O)Nc2nc3c(cccc3Br)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001459884487 1067472713 /nfs/dbraw/zinc/47/27/13/1067472713.db2.gz YKKJFSBLRDOZNK-UHFFFAOYSA-N 0 0 458.297 4.620 20 5 JJBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909691 1067484586 /nfs/dbraw/zinc/48/45/86/1067484586.db2.gz YJHRWHWTGUNTHQ-DZGCQCFKSA-N 0 0 456.572 4.656 20 5 JJBDRN CCc1ccc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)C2)cc1 ZINC001459910322 1067485776 /nfs/dbraw/zinc/48/57/76/1067485776.db2.gz FMNPWHXNMRISNG-IBGZPJMESA-N 0 0 456.564 4.832 20 5 JJBDRN COc1ccc(OC)c(CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC001459947076 1067502626 /nfs/dbraw/zinc/50/26/26/1067502626.db2.gz YXCQQTXKKRCKQM-UHFFFAOYSA-N 0 0 451.317 4.815 20 5 JJBDRN Cc1cc(Br)c2c(c1)CN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001459986045 1067516082 /nfs/dbraw/zinc/51/60/82/1067516082.db2.gz QXDJASGHBBSDFK-GFCCVEGCSA-N 0 0 452.736 4.704 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl ZINC001459990962 1067517625 /nfs/dbraw/zinc/51/76/25/1067517625.db2.gz ZFWSXYUFZWJSNU-CQSZACIVSA-N 0 0 452.338 4.580 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl ZINC001459990960 1067517683 /nfs/dbraw/zinc/51/76/83/1067517683.db2.gz ZFWSXYUFZWJSNU-AWEZNQCLSA-N 0 0 452.338 4.580 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2F)C1 ZINC001459993673 1067518784 /nfs/dbraw/zinc/51/87/84/1067518784.db2.gz UPGARVNWKDKBMS-UHFFFAOYSA-N 0 0 457.502 4.943 20 5 JJBDRN Cn1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001459994576 1067519125 /nfs/dbraw/zinc/51/91/25/1067519125.db2.gz JDDOQQOLKZJZCI-UHFFFAOYSA-N 0 0 453.911 4.702 20 5 JJBDRN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460006527 1067524423 /nfs/dbraw/zinc/52/44/23/1067524423.db2.gz RXFFVWGWDJACLS-UHFFFAOYSA-N 0 0 452.308 4.926 20 5 JJBDRN CC[C@@H]1Cc2c(Br)cccc2CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460022035 1067531628 /nfs/dbraw/zinc/53/16/28/1067531628.db2.gz YYSAKARRYLKTMD-CQSZACIVSA-N 0 0 452.736 4.786 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1 ZINC001460063749 1067543267 /nfs/dbraw/zinc/54/32/67/1067543267.db2.gz URRZGSDPGAOHNT-SFHVURJKSA-N 0 0 456.524 4.574 20 5 JJBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001460082670 1067549337 /nfs/dbraw/zinc/54/93/37/1067549337.db2.gz QLRNPZARVPSHBB-KPZWWZAWSA-N 0 0 458.729 4.517 20 5 JJBDRN CN(C(=O)CN[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC001460083814 1067549652 /nfs/dbraw/zinc/54/96/52/1067549652.db2.gz WLGUKTALBNVRBC-SFHVURJKSA-N 0 0 455.729 4.740 20 5 JJBDRN CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cs2)cc1 ZINC001460128188 1067560424 /nfs/dbraw/zinc/56/04/24/1067560424.db2.gz IFAYRZGYSDXEGT-SFHVURJKSA-N 0 0 457.577 4.501 20 5 JJBDRN Cc1nc([C@@H](C)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC001460183355 1067573920 /nfs/dbraw/zinc/57/39/20/1067573920.db2.gz TWRHEWJTHXHFNF-MRXNPFEDSA-N 0 0 454.914 4.731 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCc2c1ccc(F)c2Br ZINC001460231852 1067585648 /nfs/dbraw/zinc/58/56/48/1067585648.db2.gz ZRRCMMKMECTRAX-CQSZACIVSA-N 0 0 457.683 4.722 20 5 JJBDRN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460244366 1067589973 /nfs/dbraw/zinc/58/99/73/1067589973.db2.gz ANXSXUUOKGAVNL-YWZLYKJASA-N 0 0 457.424 4.593 20 5 JJBDRN O=[N+]([O-])c1cccc([C@@H](NCc2cccc([N+](=O)[O-])c2Br)C(F)(F)F)c1F ZINC001460248733 1067591048 /nfs/dbraw/zinc/59/10/48/1067591048.db2.gz SCDJAOLIACRAJK-CQSZACIVSA-N 0 0 452.158 4.798 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C(F)(F)F ZINC001460305422 1067603374 /nfs/dbraw/zinc/60/33/74/1067603374.db2.gz VZSLPEKLHSIKEF-LRDDRELGSA-N 0 0 451.873 4.916 20 5 JJBDRN Cc1c(Br)cc(C(=O)NC/C=C/c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001460341420 1067611897 /nfs/dbraw/zinc/61/18/97/1067611897.db2.gz LRPJHDJMVNDWPJ-NSCUHMNNSA-N 0 0 454.118 4.871 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460354906 1067615336 /nfs/dbraw/zinc/61/53/36/1067615336.db2.gz KSUNNMKAMICFLJ-UHFFFAOYSA-N 0 0 457.745 4.624 20 5 JJBDRN CCOc1ccc(C(=O)N(Cc2ccncc2)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001460389000 1067624518 /nfs/dbraw/zinc/62/45/18/1067624518.db2.gz ATOYRDUOQRQMEH-UHFFFAOYSA-N 0 0 456.296 4.998 20 5 JJBDRN O=[N+]([O-])c1ccccc1OCCN1CCc2cc(Br)c(Br)cc2C1 ZINC001460508351 1067646548 /nfs/dbraw/zinc/64/65/48/1067646548.db2.gz CIOUGQNQRIJPGU-UHFFFAOYSA-N 0 0 456.134 4.557 20 5 JJBDRN Cc1csc([C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC001460530468 1067651764 /nfs/dbraw/zinc/65/17/64/1067651764.db2.gz MOFMACGPXGPIAR-QFSBIZTOSA-N 0 0 456.490 4.875 20 5 JJBDRN Cc1c(C(=O)NCCc2ccc(Br)cc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001460532358 1067652220 /nfs/dbraw/zinc/65/22/20/1067652220.db2.gz MBHAYMPGKMKTLU-UHFFFAOYSA-N 0 0 456.680 4.508 20 5 JJBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1-c1ccncc1 ZINC001460532600 1067652257 /nfs/dbraw/zinc/65/22/57/1067652257.db2.gz KJCSYOVEBDQCND-UHFFFAOYSA-N 0 0 459.243 4.822 20 5 JJBDRN CC(=O)N[C@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 ZINC001460597784 1067665537 /nfs/dbraw/zinc/66/55/37/1067665537.db2.gz NZIRJSDBSMBNJX-LJQANCHMSA-N 0 0 459.911 4.682 20 5 JJBDRN COc1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1Br ZINC001460597984 1067665610 /nfs/dbraw/zinc/66/56/10/1067665610.db2.gz OTWXBJRVGXCSDL-UHFFFAOYSA-N 0 0 455.311 4.908 20 5 JJBDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001460599903 1067666540 /nfs/dbraw/zinc/66/65/40/1067666540.db2.gz SBPMLDAXVYAFNU-UHFFFAOYSA-N 0 0 453.520 4.690 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669338 1067694542 /nfs/dbraw/zinc/69/45/42/1067694542.db2.gz WVZYOXKQLJYGEN-QAPCUYQASA-N 0 0 454.365 4.579 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001460723375 1067709512 /nfs/dbraw/zinc/70/95/12/1067709512.db2.gz GJLZSTWFWZOPRL-GOSISDBHSA-N 0 0 457.874 4.719 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001460723376 1067709863 /nfs/dbraw/zinc/70/98/63/1067709863.db2.gz GJLZSTWFWZOPRL-SFHVURJKSA-N 0 0 457.874 4.719 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC001460744100 1067713789 /nfs/dbraw/zinc/71/37/89/1067713789.db2.gz GKHGTJCUKHVHPC-FXAWDEMLSA-N 0 0 477.920 4.910 20 5 JJBDRN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1csc(Cc2cccc(F)c2)n1 ZINC001460918365 1067747784 /nfs/dbraw/zinc/74/77/84/1067747784.db2.gz XJKNMSDIPKXKSJ-QGZVFWFLSA-N 0 0 457.380 4.954 20 5 JJBDRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001460959875 1067753611 /nfs/dbraw/zinc/75/36/11/1067753611.db2.gz ICHNEKVRIHCIID-UHFFFAOYSA-N 0 0 459.699 4.747 20 5 JJBDRN CC[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)CC(F)(F)F ZINC001461000821 1067760620 /nfs/dbraw/zinc/76/06/20/1067760620.db2.gz SNZWFNCNNQHGHD-GFCCVEGCSA-N 0 0 455.399 4.925 20 5 JJBDRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001461186195 1067794972 /nfs/dbraw/zinc/79/49/72/1067794972.db2.gz PVMCDJUCSSZTPH-UHFFFAOYSA-N 0 0 452.438 4.671 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC001461197380 1067797582 /nfs/dbraw/zinc/79/75/82/1067797582.db2.gz DHKFCBCCYRZWGC-UHFFFAOYSA-N 0 0 459.218 4.604 20 5 JJBDRN COc1ccc(CNc2ccc(O[C@H]3CCOC3)cc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461233055 1067805280 /nfs/dbraw/zinc/80/52/80/1067805280.db2.gz LBTKKXFXXKLGBX-QHCPKHFHSA-N 0 0 450.491 4.962 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461315087 1067826299 /nfs/dbraw/zinc/82/62/99/1067826299.db2.gz IXVMSTZJHYEVTG-UHFFFAOYSA-N 0 0 459.428 4.960 20 5 JJBDRN COc1ccc(-c2ccc(CNc3cccc(C(=O)NCc4ccccn4)c3)o2)c([N+](=O)[O-])c1 ZINC001461316498 1067826828 /nfs/dbraw/zinc/82/68/28/1067826828.db2.gz BBCZIHQXPOGWBD-UHFFFAOYSA-N 0 0 458.474 4.801 20 5 JJBDRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001461430028 1067854035 /nfs/dbraw/zinc/85/40/35/1067854035.db2.gz ARHKYSGRXBPLQW-HXUWFJFHSA-N 0 0 452.429 4.794 20 5 JJBDRN CN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)c1nsc2ccccc21 ZINC001461467770 1067864542 /nfs/dbraw/zinc/86/45/42/1067864542.db2.gz DULJJRHNKQFZNI-JOCHJYFZSA-N 0 0 456.524 4.607 20 5 JJBDRN O=C(Nc1c(Br)ncc2ccccc21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001461553605 1067886554 /nfs/dbraw/zinc/88/65/54/1067886554.db2.gz ONGNHRVIMNCQSK-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN COc1cc(CNc2cc(OC)c(Cl)c(OC)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461567113 1067890383 /nfs/dbraw/zinc/89/03/83/1067890383.db2.gz XTCXZBZHESMFMI-UHFFFAOYSA-N 0 0 450.797 4.827 20 5 JJBDRN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461652527 1067910312 /nfs/dbraw/zinc/91/03/12/1067910312.db2.gz RLASWQDBOPIVOV-RHSMWYFYSA-N 0 0 471.501 4.742 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC2(CC2)c2ccc(Br)cc21 ZINC001461665125 1067913857 /nfs/dbraw/zinc/91/38/57/1067913857.db2.gz ZMJBLJSNHHYGHY-UHFFFAOYSA-N 0 0 452.102 4.812 20 5 JJBDRN CCN1CCN(C(=O)c2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc2)CC1 ZINC001461719683 1067924759 /nfs/dbraw/zinc/92/47/59/1067924759.db2.gz DONCEKPUYNGGQX-UHFFFAOYSA-N 0 0 450.564 4.713 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001461721481 1067925203 /nfs/dbraw/zinc/92/52/03/1067925203.db2.gz NWNHHRCRWKMRMM-LBPRGKRZSA-N 0 0 454.813 4.711 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001461721480 1067925224 /nfs/dbraw/zinc/92/52/24/1067925224.db2.gz NWNHHRCRWKMRMM-GFCCVEGCSA-N 0 0 454.813 4.711 20 5 JJBDRN O=[N+]([O-])c1cc(Br)ccc1CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001461722818 1067925955 /nfs/dbraw/zinc/92/59/55/1067925955.db2.gz VSNFWIHJDVPELQ-KRWDZBQOSA-N 0 0 455.736 4.858 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001461738641 1067928193 /nfs/dbraw/zinc/92/81/93/1067928193.db2.gz ZCOCUVRTLNIVHW-JOCHJYFZSA-N 0 0 451.589 4.862 20 5 JJBDRN COc1cc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1F ZINC001461772293 1067934243 /nfs/dbraw/zinc/93/42/43/1067934243.db2.gz YJXTZXZQQGKOQD-CYBMUJFWSA-N 0 0 455.305 4.512 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccc(Br)cc2O1 ZINC001461816069 1067941397 /nfs/dbraw/zinc/94/13/97/1067941397.db2.gz RHHQGSAPOVICOQ-SECBINFHSA-N 0 0 456.090 4.548 20 5 JJBDRN O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC001461945964 1067966395 /nfs/dbraw/zinc/96/63/95/1067966395.db2.gz KHHGRDVWMJZMHH-INIZCTEOSA-N 0 0 452.366 4.907 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(Br)c(F)c1F ZINC001462008290 1067978964 /nfs/dbraw/zinc/97/89/64/1067978964.db2.gz RVKCZFMPCBAPRC-UHFFFAOYSA-N 0 0 451.676 4.697 20 5 JJBDRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001462106217 1068003983 /nfs/dbraw/zinc/00/39/83/1068003983.db2.gz TYYZIQQOQFPJJR-MAUKXSAKSA-N 0 0 458.356 4.976 20 5 JJBDRN CC(F)(F)c1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC001462342756 1068055115 /nfs/dbraw/zinc/05/51/15/1068055115.db2.gz DXDWNESNDGVGFM-UHFFFAOYSA-N 0 0 450.154 4.703 20 5 JJBDRN CC1(C)CC[C@@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)[C@@H](c2ccccc2)C1 ZINC001462375033 1068062385 /nfs/dbraw/zinc/06/23/85/1068062385.db2.gz ZWHSEHREIWNQQZ-IEBWSBKVSA-N 0 0 457.477 4.512 20 5 JJBDRN Cc1cc(OCC(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001462412605 1068069339 /nfs/dbraw/zinc/06/93/39/1068069339.db2.gz SBGPHIPELZNFKA-OAQYLSRUSA-N 0 0 455.511 4.673 20 5 JJBDRN CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001462434670 1068073455 /nfs/dbraw/zinc/07/34/55/1068073455.db2.gz CSADXMYLYPVSAH-IBGZPJMESA-N 0 0 457.596 4.768 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001462444057 1068075826 /nfs/dbraw/zinc/07/58/26/1068075826.db2.gz SZBITZNFPMWSKN-QGZVFWFLSA-N 0 0 458.776 4.783 20 5 JJBDRN CCCOc1ccc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c(OCCC)c1 ZINC001462496562 1068085411 /nfs/dbraw/zinc/08/54/11/1068085411.db2.gz QISPAYSLRUXPTO-UHFFFAOYSA-N 0 0 451.317 4.865 20 5 JJBDRN COc1cccc2c1OCCC[C@@H]2NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001462536710 1068093620 /nfs/dbraw/zinc/09/36/20/1068093620.db2.gz WOPLIYMWCJNPAH-ZWOKBUDYSA-N 0 0 453.539 4.729 20 5 JJBDRN C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC001462586627 1068105081 /nfs/dbraw/zinc/10/50/81/1068105081.db2.gz GMUVCAHUEZAXLB-VIFPVBQESA-N 0 0 453.364 4.997 20 5 JJBDRN Cn1nc(C(F)(F)F)cc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001462676101 1068129199 /nfs/dbraw/zinc/12/91/99/1068129199.db2.gz WAMLCEZYBDBCOT-UHFFFAOYSA-N 0 0 454.792 4.723 20 5 JJBDRN O=C(OCc1cc(Br)ccc1Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001462728656 1068145867 /nfs/dbraw/zinc/14/58/67/1068145867.db2.gz BYMWEJLWEZKCIV-UHFFFAOYSA-N 0 0 454.639 4.693 20 5 JJBDRN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001462743050 1068151863 /nfs/dbraw/zinc/15/18/63/1068151863.db2.gz CRXBVQGJNKVPAS-QGZVFWFLSA-N 0 0 458.458 4.928 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC001462775076 1068164219 /nfs/dbraw/zinc/16/42/19/1068164219.db2.gz GQPYNRHWTSKWND-UHFFFAOYSA-N 0 0 455.561 4.875 20 5 JJBDRN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC001462776790 1068164922 /nfs/dbraw/zinc/16/49/22/1068164922.db2.gz KYPISXZEDAFLOB-UHFFFAOYSA-N 0 0 455.492 4.824 20 5 JJBDRN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCCCC1 ZINC001462778243 1068165356 /nfs/dbraw/zinc/16/53/56/1068165356.db2.gz QQHUJSKOTGMSJN-UHFFFAOYSA-N 0 0 454.552 4.708 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(C)cc1[N+](=O)[O-] ZINC001462823510 1068177380 /nfs/dbraw/zinc/17/73/80/1068177380.db2.gz BSNKUHHAJLRHTG-UHFFFAOYSA-N 0 0 458.580 4.694 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC001462830022 1068181441 /nfs/dbraw/zinc/18/14/41/1068181441.db2.gz JEEPEQLXYXGGGQ-HXUWFJFHSA-N 0 0 451.292 4.742 20 5 JJBDRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001462845490 1068187978 /nfs/dbraw/zinc/18/79/78/1068187978.db2.gz FFEOPHHGNLZZNY-CYBMUJFWSA-N 0 0 459.337 4.967 20 5 JJBDRN CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3OC)ccc21 ZINC001462855913 1068192330 /nfs/dbraw/zinc/19/23/30/1068192330.db2.gz SMIGZEONXBSRMR-UHFFFAOYSA-N 0 0 453.520 4.552 20 5 JJBDRN Cc1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c(F)cc1[N+](=O)[O-] ZINC001462863002 1068195093 /nfs/dbraw/zinc/19/50/93/1068195093.db2.gz MMBNQBIFBMEUBD-FQEVSTJZSA-N 0 0 452.866 4.903 20 5 JJBDRN C[S@@](=O)(=NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001462878491 1068200694 /nfs/dbraw/zinc/20/06/94/1068200694.db2.gz JXWXHNYWPMXGEA-HKBQPEDESA-N 0 0 455.458 4.514 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)cc1SC ZINC001462879658 1068201178 /nfs/dbraw/zinc/20/11/78/1068201178.db2.gz KQGMSWJPFGUAEJ-UHFFFAOYSA-N 0 0 455.467 4.651 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001462996066 1068243320 /nfs/dbraw/zinc/24/33/20/1068243320.db2.gz XJXVJPQIAYJYJD-UHFFFAOYSA-N 0 0 454.458 4.840 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC001463009739 1068249864 /nfs/dbraw/zinc/24/98/64/1068249864.db2.gz PIRLMOMORXQIJU-UHFFFAOYSA-N 0 0 450.866 4.832 20 5 JJBDRN CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC001463038639 1068260180 /nfs/dbraw/zinc/26/01/80/1068260180.db2.gz HKMBNVBBSCFNNA-QGZVFWFLSA-N 0 0 457.346 4.576 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC001463046394 1068263656 /nfs/dbraw/zinc/26/36/56/1068263656.db2.gz HFJCEHGDKXDTBL-QFIPXVFZSA-N 0 0 458.923 4.641 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1Br ZINC001463052878 1068266762 /nfs/dbraw/zinc/26/67/62/1068266762.db2.gz GHCNJBPKFWZURX-KRWDZBQOSA-N 0 0 459.749 4.830 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c(Br)c1 ZINC001463052649 1068266936 /nfs/dbraw/zinc/26/69/36/1068266936.db2.gz FMSLPBLOBMNTAV-KRWDZBQOSA-N 0 0 459.749 4.830 20 5 JJBDRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001463061794 1068270940 /nfs/dbraw/zinc/27/09/40/1068270940.db2.gz DBAOGQXNUTVTQW-PWRODBHTSA-N 0 0 457.571 4.774 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001463080687 1068280721 /nfs/dbraw/zinc/28/07/21/1068280721.db2.gz NSVXTFRCLIBTAV-FQEVSTJZSA-N 0 0 456.564 4.906 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cccc(SC(F)(F)F)c1 ZINC001463133933 1068298510 /nfs/dbraw/zinc/29/85/10/1068298510.db2.gz NFNWBTKXKLUYGR-UHFFFAOYSA-N 0 0 456.398 4.638 20 5 JJBDRN Cc1cccc([C@H]2CCCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC001463187221 1068313995 /nfs/dbraw/zinc/31/39/95/1068313995.db2.gz QHILEUWANWGTJN-GOSISDBHSA-N 0 0 453.358 4.890 20 5 JJBDRN Cc1cccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC001463187229 1068314221 /nfs/dbraw/zinc/31/42/21/1068314221.db2.gz QHILEUWANWGTJN-SFHVURJKSA-N 0 0 453.358 4.890 20 5 JJBDRN COC(=O)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001463207052 1068320179 /nfs/dbraw/zinc/32/01/79/1068320179.db2.gz GUUIVAOUPKITLC-CYBMUJFWSA-N 0 0 451.184 4.565 20 5 JJBDRN CC[C@H]1CCCc2sc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])nc21 ZINC001463206801 1068320202 /nfs/dbraw/zinc/32/02/02/1068320202.db2.gz ZMMGREMPMWGORM-NSHDSACASA-N 0 0 453.362 4.719 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)cc1[N+](=O)[O-] ZINC001463218491 1068323383 /nfs/dbraw/zinc/32/33/83/1068323383.db2.gz XRACFDAGHKWKNJ-UHFFFAOYSA-N 0 0 455.311 4.557 20 5 JJBDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001463251228 1068334954 /nfs/dbraw/zinc/33/49/54/1068334954.db2.gz MFUNOBVURKPNNX-FUHWJXTLSA-N 0 0 453.358 4.704 20 5 JJBDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463253699 1068336018 /nfs/dbraw/zinc/33/60/18/1068336018.db2.gz SPQNDHNFZDQCAC-DLBZAZTESA-N 0 0 453.358 4.704 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC001463327492 1068357703 /nfs/dbraw/zinc/35/77/03/1068357703.db2.gz LSWRLZFEVZQHRS-HSZRJFAPSA-N 0 0 452.532 4.709 20 5 JJBDRN Cc1ccc(NC(=O)OC(C)(C)C)cc1OS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC001463350131 1068367608 /nfs/dbraw/zinc/36/76/08/1068367608.db2.gz BWXBBULRPNZJFL-UHFFFAOYSA-N 0 0 456.904 4.980 20 5 JJBDRN CCOc1ccc([C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 ZINC001463383782 1068379547 /nfs/dbraw/zinc/37/95/47/1068379547.db2.gz SEXGWVDRWMIGAT-LJQANCHMSA-N 0 0 452.941 4.776 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463410079 1068387598 /nfs/dbraw/zinc/38/75/98/1068387598.db2.gz ILCBHZPMRMAALG-UHFFFAOYSA-N 0 0 458.348 4.546 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001463445405 1068399897 /nfs/dbraw/zinc/39/98/97/1068399897.db2.gz PDSUYFSUJRJXME-UHFFFAOYSA-N 0 0 453.720 4.832 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001463505328 1068421903 /nfs/dbraw/zinc/42/19/03/1068421903.db2.gz OYSHDIRLYOWPRY-LLVKDONJSA-N 0 0 452.813 4.584 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CCC[C@@H]12 ZINC001463509639 1068424046 /nfs/dbraw/zinc/42/40/46/1068424046.db2.gz DBNATQUPBIRKPI-GJZUVCINSA-N 0 0 480.565 4.869 20 5 JJBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001463553981 1068439495 /nfs/dbraw/zinc/43/94/95/1068439495.db2.gz CKHHQGKSFCWTBW-INIZCTEOSA-N 0 0 457.321 4.625 20 5 JJBDRN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc([N+](=O)[O-])c1 ZINC001463565076 1068446700 /nfs/dbraw/zinc/44/67/00/1068446700.db2.gz QEYOETQBBQZRAX-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463611584 1068466104 /nfs/dbraw/zinc/46/61/04/1068466104.db2.gz ZZPPWDBJIWDGGA-OAHLLOKOSA-N 0 0 453.731 4.563 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCc2c(cccc2C(C)C)C1 ZINC001463645109 1068479465 /nfs/dbraw/zinc/47/94/65/1068479465.db2.gz ZCESLCHLSLNPMG-UHFFFAOYSA-N 0 0 453.358 4.536 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC001463660373 1068485596 /nfs/dbraw/zinc/48/55/96/1068485596.db2.gz VELUHAKTYODMKW-UHFFFAOYSA-N 0 0 453.358 4.575 20 5 JJBDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001463680950 1068491737 /nfs/dbraw/zinc/49/17/37/1068491737.db2.gz OEAAZVRBRJXQNN-DYVFJYSZSA-N 0 0 458.458 4.784 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001463710889 1068502010 /nfs/dbraw/zinc/50/20/10/1068502010.db2.gz IRSAKLCNTKNTSX-DOTOQJQBSA-N 0 0 453.358 4.610 20 5 JJBDRN COc1cc(Cl)c(Cl)cc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463732838 1068507501 /nfs/dbraw/zinc/50/75/01/1068507501.db2.gz UKFPKNPWUCMXHP-UHFFFAOYSA-N 0 0 452.216 4.771 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br ZINC001463735934 1068508248 /nfs/dbraw/zinc/50/82/48/1068508248.db2.gz FDHGRIPHDCVMRT-INIZCTEOSA-N 0 0 453.358 4.542 20 5 JJBDRN CCC(CC)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC001463869646 1068551264 /nfs/dbraw/zinc/55/12/64/1068551264.db2.gz CEFRMFMYHFXKLU-OAQYLSRUSA-N 0 0 457.596 4.613 20 5 JJBDRN Cc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC001463889760 1068556495 /nfs/dbraw/zinc/55/64/95/1068556495.db2.gz SITOVRXASVEYLW-INIZCTEOSA-N 0 0 457.321 4.639 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2ccc(Br)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1F ZINC001463896765 1068558786 /nfs/dbraw/zinc/55/87/86/1068558786.db2.gz GUFJLLDZLJIPTF-UHFFFAOYSA-N 0 0 458.183 4.591 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC001463930221 1068568650 /nfs/dbraw/zinc/56/86/50/1068568650.db2.gz VFUMJZKCNDRUDX-UHFFFAOYSA-N 0 0 458.858 4.571 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC001463962651 1068575743 /nfs/dbraw/zinc/57/57/43/1068575743.db2.gz WCCOIQWDEUGQDK-UHFFFAOYSA-N 0 0 451.278 4.748 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030504 1068593979 /nfs/dbraw/zinc/59/39/79/1068593979.db2.gz PIHHUFWOGPQXMK-SJORKVTESA-N 0 0 456.520 4.783 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCCc3cc(Br)ccc32)cc1F ZINC001464126495 1068625002 /nfs/dbraw/zinc/62/50/02/1068625002.db2.gz ZYUSMBQSAMLWOK-INIZCTEOSA-N 0 0 457.321 4.551 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2cc(C(F)(F)F)ccc2Br)c(C)cc1[N+](=O)[O-] ZINC001464134144 1068628660 /nfs/dbraw/zinc/62/86/60/1068628660.db2.gz GTARNLCYGADJTO-UHFFFAOYSA-N 0 0 454.220 4.761 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001464204427 1068655541 /nfs/dbraw/zinc/65/55/41/1068655541.db2.gz QHBGQGSQBUOMDX-UHFFFAOYSA-N 0 0 455.241 4.667 20 5 JJBDRN CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001464210844 1068659376 /nfs/dbraw/zinc/65/93/76/1068659376.db2.gz GXFGJSDIZGFOLB-UHFFFAOYSA-N 0 0 452.580 4.902 20 5 JJBDRN COc1ccc(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(=O)c1cccc(F)c1 ZINC001464226631 1068665033 /nfs/dbraw/zinc/66/50/33/1068665033.db2.gz DEPVANGJJXNIIM-UHFFFAOYSA-N 0 0 457.845 4.829 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464241640 1068672062 /nfs/dbraw/zinc/67/20/62/1068672062.db2.gz UUNWGGNXHUTARL-DGCLKSJQSA-N 0 0 459.749 4.577 20 5 JJBDRN CCc1cccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1O ZINC001464251718 1068675965 /nfs/dbraw/zinc/67/59/65/1068675965.db2.gz UYBFLJYPJCERNB-UHFFFAOYSA-N 0 0 451.548 4.549 20 5 JJBDRN COc1cc([C@@H](C)NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)ccc1OCc1ccncc1 ZINC001464279991 1068688591 /nfs/dbraw/zinc/68/85/91/1068688591.db2.gz NCYGGRALGSATFD-CQSZACIVSA-N 0 0 457.433 4.655 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC001464288041 1068692131 /nfs/dbraw/zinc/69/21/31/1068692131.db2.gz JKDXJEVKBJENAL-CQSZACIVSA-N 0 0 452.841 4.768 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1F)c1cccc([N+](=O)[O-])c1 ZINC001464288040 1068692165 /nfs/dbraw/zinc/69/21/65/1068692165.db2.gz JKDXJEVKBJENAL-AWEZNQCLSA-N 0 0 452.841 4.768 20 5 JJBDRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464291990 1068694345 /nfs/dbraw/zinc/69/43/45/1068694345.db2.gz RZAZBDBHACBAED-REWPJTCUSA-N 0 0 454.523 4.689 20 5 JJBDRN COc1ccc(S(=O)(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1[N+](=O)[O-] ZINC001464304430 1068698381 /nfs/dbraw/zinc/69/83/81/1068698381.db2.gz YOAKJEDAEKYORM-MRXNPFEDSA-N 0 0 458.458 4.579 20 5 JJBDRN Cc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OCc2ccccc2)c1 ZINC001464317523 1068703080 /nfs/dbraw/zinc/70/30/80/1068703080.db2.gz KJKVSDPYAPPCER-UHFFFAOYSA-N 0 0 453.882 4.504 20 5 JJBDRN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)cc1 ZINC001464355073 1068717308 /nfs/dbraw/zinc/71/73/08/1068717308.db2.gz FACDFLATIJXIDH-UHFFFAOYSA-N 0 0 453.213 4.842 20 5 JJBDRN COc1ccc(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC001464355710 1068717372 /nfs/dbraw/zinc/71/73/72/1068717372.db2.gz HAEBLUWJXDIKBO-KRWDZBQOSA-N 0 0 455.511 4.539 20 5 JJBDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4c(Br)cccc4[N+](=O)[O-])CC3)c2c1 ZINC001464433987 1068743922 /nfs/dbraw/zinc/74/39/22/1068743922.db2.gz CCFRVTGJBGYGPQ-UHFFFAOYSA-N 0 0 458.312 4.867 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC001464523622 1068772365 /nfs/dbraw/zinc/77/23/65/1068772365.db2.gz AXXJNNGFAQPIGH-UHFFFAOYSA-N 0 0 456.490 4.989 20 5 JJBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001464542228 1068777241 /nfs/dbraw/zinc/77/72/41/1068777241.db2.gz GZRFDWJWNUOISA-KNKQGSTJSA-N 0 0 451.567 4.933 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001464549146 1068779025 /nfs/dbraw/zinc/77/90/25/1068779025.db2.gz XRCKQLQTSVPJMW-SFHVURJKSA-N 0 0 451.951 4.808 20 5 JJBDRN COCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001464553261 1068779696 /nfs/dbraw/zinc/77/96/96/1068779696.db2.gz QPJOHDRCTGBXQH-HNNXBMFYSA-N 0 0 452.429 4.813 20 5 JJBDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001464557427 1068780469 /nfs/dbraw/zinc/78/04/69/1068780469.db2.gz GFAZBCQEUAAOJR-UHFFFAOYSA-N 0 0 456.257 4.538 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC001464600264 1068795395 /nfs/dbraw/zinc/79/53/95/1068795395.db2.gz BQUJEOITTMMZBV-UHFFFAOYSA-N 0 0 451.310 4.590 20 5 JJBDRN Cc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])n(-c2cccc(Br)c2)n1 ZINC001464672327 1068819616 /nfs/dbraw/zinc/81/96/16/1068819616.db2.gz ZCXMDRQOCSCLEL-UHFFFAOYSA-N 0 0 459.300 4.567 20 5 JJBDRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccc(C)cc1 ZINC000006280192 194422612 /nfs/dbraw/zinc/42/26/12/194422612.db2.gz XPRATLRRKUXROR-UHFFFAOYSA-N 0 0 475.530 4.890 20 5 JJBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]12 ZINC001164407557 718849978 /nfs/dbraw/zinc/84/99/78/718849978.db2.gz PVZSHAIQTSRGSR-HOTGVXAUSA-N 0 0 456.836 4.666 20 5 JJBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])CC2 ZINC001164647625 719311448 /nfs/dbraw/zinc/31/14/48/719311448.db2.gz DMZSLZGDTPTJSS-UHFFFAOYSA-N 0 0 488.951 4.976 20 5 JJBDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC1)nc2-c1cccnc1 ZINC001164704970 719881163 /nfs/dbraw/zinc/88/11/63/719881163.db2.gz YBTOIIUZQIEWFK-UHFFFAOYSA-N 0 0 499.909 4.916 20 5 JJBDRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164852154 720829789 /nfs/dbraw/zinc/82/97/89/720829789.db2.gz ZHUCYTJFTHDIHW-CTNGQTDRSA-N 0 0 467.900 4.877 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164780438 721439763 /nfs/dbraw/zinc/43/97/63/721439763.db2.gz AGQKPMRHVTXKFT-HOTGVXAUSA-N 0 0 491.951 4.880 20 5 JJBDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CCO3)cs1 ZINC001164782666 721442918 /nfs/dbraw/zinc/44/29/18/721442918.db2.gz KOIZVDUQCNIEJN-IFXJQAMLSA-N 0 0 488.944 4.545 20 5 JJBDRN CCOC(=O)C1(F)CCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001165017317 721835160 /nfs/dbraw/zinc/83/51/60/721835160.db2.gz KEQVZNCLJSEANA-UHFFFAOYSA-N 0 0 457.836 4.727 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001165051577 721994008 /nfs/dbraw/zinc/99/40/08/721994008.db2.gz JTEYRVRNEUCUBL-CQSZACIVSA-N 0 0 468.888 4.808 20 5 JJBDRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]21 ZINC001164956782 722049371 /nfs/dbraw/zinc/04/93/71/722049371.db2.gz CPQBLBGXTNOPAX-HNAYVOBHSA-N 0 0 488.878 4.799 20 5 JJBDRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]2C1 ZINC001164970463 722086367 /nfs/dbraw/zinc/08/63/67/722086367.db2.gz FCAXWEXJOJFSBN-IRXDYDNUSA-N 0 0 490.938 4.986 20 5 JJBDRN CC(C)[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(Br)n1 ZINC001359734570 1064294594 /nfs/dbraw/zinc/29/45/94/1064294594.db2.gz XBUQZWKVMVSARV-GOSISDBHSA-N 0 0 471.359 4.684 20 5 JJBDRN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001434870693 1064307916 /nfs/dbraw/zinc/30/79/16/1064307916.db2.gz ACDKXWZWSKXAHR-UHFFFAOYSA-N 0 0 450.926 4.823 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC001434920536 1064348155 /nfs/dbraw/zinc/34/81/55/1064348155.db2.gz KHKDSCRVMYJYAP-HXUWFJFHSA-N 0 0 455.518 4.728 20 5 JJBDRN CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001359756906 1064355618 /nfs/dbraw/zinc/35/56/18/1064355618.db2.gz ACHGVNSQBQONTI-WIYYLYMNSA-N 0 0 470.961 4.599 20 5 JJBDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CCOCC1 ZINC001359762798 1064376616 /nfs/dbraw/zinc/37/66/16/1064376616.db2.gz ZFWWAJFYSWQRER-JTHBVZDNSA-N 0 0 471.602 4.557 20 5 JJBDRN COCc1c(Br)cccc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001434974574 1064389605 /nfs/dbraw/zinc/38/96/05/1064389605.db2.gz GAPKSFGKRDGGBE-UHFFFAOYSA-N 0 0 458.106 4.827 20 5 JJBDRN CC(C)Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC2(CCCCC2)O1 ZINC001359784296 1064437001 /nfs/dbraw/zinc/43/70/01/1064437001.db2.gz XMPFXIFAFHBMEJ-QFIPXVFZSA-N 0 0 455.603 4.946 20 5 JJBDRN COc1cc(C(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC001435020430 1064437618 /nfs/dbraw/zinc/43/76/18/1064437618.db2.gz DYCREUZLLJQBFO-FQEVSTJZSA-N 0 0 450.491 4.643 20 5 JJBDRN Cc1ccc(F)c2oc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)cc21 ZINC001435028342 1064445377 /nfs/dbraw/zinc/44/53/77/1064445377.db2.gz XLKVKYOQUYAABM-UHFFFAOYSA-N 0 0 451.376 4.770 20 5 JJBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001435038062 1064453792 /nfs/dbraw/zinc/45/37/92/1064453792.db2.gz QWJXARBBPJCONW-UHFFFAOYSA-N 0 0 452.883 4.627 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCC(C)(C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001435051436 1064469168 /nfs/dbraw/zinc/46/91/68/1064469168.db2.gz QYIXOIIWCQMUAG-DEOSSOPVSA-N 0 0 459.518 4.568 20 5 JJBDRN Cc1sc2nc(CS[C@H](C)C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)[nH]c(=O)c2c1C ZINC001435054179 1064472991 /nfs/dbraw/zinc/47/29/91/1064472991.db2.gz HQBHZPWAHKIQEK-CYBMUJFWSA-N 0 0 458.565 4.523 20 5 JJBDRN COc1ccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC1CCCC1 ZINC001435056348 1064474702 /nfs/dbraw/zinc/47/47/02/1064474702.db2.gz OBCUBTBGPQHQPF-UHFFFAOYSA-N 0 0 453.520 4.978 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1Cc1cscc1C(F)(F)F ZINC001359811495 1064486605 /nfs/dbraw/zinc/48/66/05/1064486605.db2.gz PPGSYKBUAPRHML-UHFFFAOYSA-N 0 0 483.520 4.551 20 5 JJBDRN COc1cc(F)c(NC(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1OC ZINC001435079241 1064501667 /nfs/dbraw/zinc/50/16/67/1064501667.db2.gz QUPROHLATHCOGS-UHFFFAOYSA-N 0 0 456.426 4.591 20 5 JJBDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C ZINC001359824182 1064506788 /nfs/dbraw/zinc/50/67/88/1064506788.db2.gz IDBVZBOHVODTGJ-MRXNPFEDSA-N 0 0 454.335 4.672 20 5 JJBDRN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001359838352 1064525179 /nfs/dbraw/zinc/52/51/79/1064525179.db2.gz ZIGKMVRGYRNUGU-LRTDBIEQSA-N 0 0 457.930 4.520 20 5 JJBDRN C[C@@H](CCc1ccccc1F)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001359839346 1064525931 /nfs/dbraw/zinc/52/59/31/1064525931.db2.gz JNXKVZZOZIJNBX-HNNXBMFYSA-N 0 0 453.436 4.670 20 5 JJBDRN CC(C)Oc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC001435128196 1064533995 /nfs/dbraw/zinc/53/39/95/1064533995.db2.gz NHIQMRPESNGART-UHFFFAOYSA-N 0 0 455.511 4.928 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359859071 1064546512 /nfs/dbraw/zinc/54/65/12/1064546512.db2.gz VFTQQJCIRLTHCH-OAQYLSRUSA-N 0 0 456.405 4.736 20 5 JJBDRN COc1ccc2c(c1)c(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c(C)n2Cc1ccccc1 ZINC001359862561 1064553464 /nfs/dbraw/zinc/55/34/64/1064553464.db2.gz VZMUPQYUSLUCOW-UHFFFAOYSA-N 0 0 459.502 4.724 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001435162246 1064558506 /nfs/dbraw/zinc/55/85/06/1064558506.db2.gz FMVBVPWTBJZQNM-CALCHBBNSA-N 0 0 455.511 4.857 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001435162948 1064558745 /nfs/dbraw/zinc/55/87/45/1064558745.db2.gz OGUMJPNUFKVZIY-UHFFFAOYSA-N 0 0 458.319 4.902 20 5 JJBDRN CC[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001435167271 1064562633 /nfs/dbraw/zinc/56/26/33/1064562633.db2.gz APSDMOPLFXMPKJ-SFHVURJKSA-N 0 0 450.276 4.657 20 5 JJBDRN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC001435181529 1064572531 /nfs/dbraw/zinc/57/25/31/1064572531.db2.gz RDUXMKDQGHIWCH-OAHLLOKOSA-N 0 0 450.308 4.512 20 5 JJBDRN O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001359887624 1064584044 /nfs/dbraw/zinc/58/40/44/1064584044.db2.gz OSWBZKRAFHFGCM-UHFFFAOYSA-N 0 0 455.580 4.962 20 5 JJBDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435202765 1064589613 /nfs/dbraw/zinc/58/96/13/1064589613.db2.gz JPVQDPDIRIMXHZ-HXPMCKFVSA-N 0 0 453.333 4.949 20 5 JJBDRN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2n1 ZINC001359898297 1064601742 /nfs/dbraw/zinc/60/17/42/1064601742.db2.gz YWLNUBUUOYFJCE-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC001435223897 1064605414 /nfs/dbraw/zinc/60/54/14/1064605414.db2.gz YSJZBKLCZOZPAD-SFHVURJKSA-N 0 0 450.276 4.875 20 5 JJBDRN COc1cc(Br)c(Cl)cc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001435227516 1064607735 /nfs/dbraw/zinc/60/77/35/1064607735.db2.gz ADZOPNUOEHQGQX-UHFFFAOYSA-N 0 0 456.724 4.560 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CC1 ZINC001435254662 1064631751 /nfs/dbraw/zinc/63/17/51/1064631751.db2.gz QWTRZHWSMWSHDC-IBGZPJMESA-N 0 0 457.552 4.779 20 5 JJBDRN Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001359912785 1064632371 /nfs/dbraw/zinc/63/23/71/1064632371.db2.gz LETZQMUONJBXNF-OAQYLSRUSA-N 0 0 453.539 4.945 20 5 JJBDRN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(C(C)(C)C)cc1 ZINC001435270521 1064648612 /nfs/dbraw/zinc/64/86/12/1064648612.db2.gz OUFIUSNGRLTNKW-KRWDZBQOSA-N 0 0 450.438 4.528 20 5 JJBDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC001435285097 1064662602 /nfs/dbraw/zinc/66/26/02/1064662602.db2.gz XRJXSTCWPVRKLB-MRXNPFEDSA-N 0 0 453.499 4.727 20 5 JJBDRN O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001435299891 1064675168 /nfs/dbraw/zinc/67/51/68/1064675168.db2.gz FHSWHEMXQCSSDM-UHFFFAOYSA-N 0 0 453.445 4.557 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC001435300437 1064675357 /nfs/dbraw/zinc/67/53/57/1064675357.db2.gz MEXIRYQKOHXXQI-MRXNPFEDSA-N 0 0 454.470 4.771 20 5 JJBDRN CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001359938898 1064682658 /nfs/dbraw/zinc/68/26/58/1064682658.db2.gz NZVGYRLVHJYUOH-HXUWFJFHSA-N 0 0 498.628 4.910 20 5 JJBDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC001435348308 1064714973 /nfs/dbraw/zinc/71/49/73/1064714973.db2.gz HXRPRQSQYIRCCN-MRXNPFEDSA-N 0 0 457.552 4.827 20 5 JJBDRN O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1c(Br)cccc1[N+](=O)[O-] ZINC001359953732 1064717368 /nfs/dbraw/zinc/71/73/68/1064717368.db2.gz SIAOYEIXZQXYNP-UHFFFAOYSA-N 0 0 458.196 4.541 20 5 JJBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC001435355266 1064719862 /nfs/dbraw/zinc/71/98/62/1064719862.db2.gz OSEDFACGNCHIFX-UHFFFAOYSA-N 0 0 456.252 4.501 20 5 JJBDRN C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2n1C ZINC001435363973 1064725044 /nfs/dbraw/zinc/72/50/44/1064725044.db2.gz PNDXTMMIKIAYEU-SNVBAGLBSA-N 0 0 457.792 4.994 20 5 JJBDRN Cc1ccc([C@H](C)OC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cc1[N+](=O)[O-] ZINC001435391065 1064736091 /nfs/dbraw/zinc/73/60/91/1064736091.db2.gz ODLDARGIFQIOPW-INIZCTEOSA-N 0 0 456.882 4.715 20 5 JJBDRN CC(C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001359964276 1064738262 /nfs/dbraw/zinc/73/82/62/1064738262.db2.gz QMKBBZMXCIUEBH-FQEVSTJZSA-N 0 0 463.529 4.788 20 5 JJBDRN Cc1cc2c(cc1Br)N(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC001435404217 1064741827 /nfs/dbraw/zinc/74/18/27/1064741827.db2.gz MNYZIDNOSXMLFA-GFCCVEGCSA-N 0 0 451.292 4.897 20 5 JJBDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001435415125 1064745844 /nfs/dbraw/zinc/74/58/44/1064745844.db2.gz LHADRDHXFBPENK-UHFFFAOYSA-N 0 0 456.955 4.976 20 5 JJBDRN COc1cccc(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)c1[N+](=O)[O-] ZINC001435429534 1064752304 /nfs/dbraw/zinc/75/23/04/1064752304.db2.gz OBTWOLWLPMRXQO-UHFFFAOYSA-N 0 0 459.256 4.546 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)Cc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 ZINC001435458328 1064768340 /nfs/dbraw/zinc/76/83/40/1064768340.db2.gz AVKYXTPSJPHRAO-CHWSQXEVSA-N 0 0 456.490 4.825 20 5 JJBDRN C[C@H](C[C@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001435523906 1064806512 /nfs/dbraw/zinc/80/65/12/1064806512.db2.gz LWMYUOFKLUARGG-DENIHFKCSA-N 0 0 451.567 4.599 20 5 JJBDRN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC001435538385 1064816066 /nfs/dbraw/zinc/81/60/66/1064816066.db2.gz ATJHDWFNYKXHMN-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN Cc1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c(O[C@H](C)CC(C)C)c1 ZINC001435553573 1064827025 /nfs/dbraw/zinc/82/70/25/1064827025.db2.gz URKJPZNLUIZAAO-QGZVFWFLSA-N 0 0 454.502 4.971 20 5 JJBDRN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc([N+](=O)[O-])c(Br)c3)cc12 ZINC001435560850 1064832732 /nfs/dbraw/zinc/83/27/32/1064832732.db2.gz BMDKPHSKMHPKDN-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(Br)s1 ZINC001435565119 1064837262 /nfs/dbraw/zinc/83/72/62/1064837262.db2.gz RKFYQZBGPCXLQX-GFCCVEGCSA-N 0 0 450.108 4.508 20 5 JJBDRN COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])c(Br)c3)cc2)c1 ZINC001435566261 1064838080 /nfs/dbraw/zinc/83/80/80/1064838080.db2.gz ZFDMKTODUJWRTN-UHFFFAOYSA-N 0 0 455.264 4.849 20 5 JJBDRN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001435568074 1064838924 /nfs/dbraw/zinc/83/89/24/1064838924.db2.gz ZUXIXUOWVJYWLG-KRWDZBQOSA-N 0 0 450.516 4.998 20 5 JJBDRN COc1cccc(C2=NO[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Sc3cccs3)C2)c1 ZINC001435600686 1064864926 /nfs/dbraw/zinc/86/49/26/1064864926.db2.gz HCDHNSYLMAZJHM-GOSISDBHSA-N 0 0 455.517 4.948 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC001435637589 1064898875 /nfs/dbraw/zinc/89/88/75/1064898875.db2.gz YDIYAJMAXAHOPP-UHFFFAOYSA-N 0 0 452.858 4.517 20 5 JJBDRN COc1cc(Br)ccc1CCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001435656667 1064912144 /nfs/dbraw/zinc/91/21/44/1064912144.db2.gz IDPSBETYUQRMER-UHFFFAOYSA-N 0 0 455.736 4.701 20 5 JJBDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001435659411 1064914117 /nfs/dbraw/zinc/91/41/17/1064914117.db2.gz OWUIMYOMMIHDFP-STQMWFEESA-N 0 0 459.549 4.673 20 5 JJBDRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001435663810 1064917515 /nfs/dbraw/zinc/91/75/15/1064917515.db2.gz VPTDCQWDROHCJE-UHFFFAOYSA-N 0 0 457.552 4.779 20 5 JJBDRN CC(C)CN(C(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435673379 1064925939 /nfs/dbraw/zinc/92/59/39/1064925939.db2.gz JURZCFDJYQUTDE-BTYIYWSLSA-N 0 0 453.520 4.936 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1ncc(-c3ccccc3Br)o1)CC2 ZINC001435680638 1064930563 /nfs/dbraw/zinc/93/05/63/1064930563.db2.gz KBKXAENCNCYCEM-UHFFFAOYSA-N 0 0 456.296 4.843 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)CC2 ZINC001435682114 1064931662 /nfs/dbraw/zinc/93/16/62/1064931662.db2.gz SOUICZVBYBDLDL-KSFYIVLOSA-N 0 0 459.905 4.583 20 5 JJBDRN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435691995 1064938508 /nfs/dbraw/zinc/93/85/08/1064938508.db2.gz UECKPIAVOBBNJM-FPOVZHCZSA-N 0 0 455.829 4.608 20 5 JJBDRN CN(C)C(=O)Nc1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001435692625 1064939585 /nfs/dbraw/zinc/93/95/85/1064939585.db2.gz YJBDNZNQKONVLC-FQEVSTJZSA-N 0 0 454.870 4.683 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001435701133 1064946766 /nfs/dbraw/zinc/94/67/66/1064946766.db2.gz PWJHZKRVNRELIU-LLVKDONJSA-N 0 0 459.127 4.673 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cncc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001435730350 1064961356 /nfs/dbraw/zinc/96/13/56/1064961356.db2.gz FMJLYCSXXFOAHY-LJQANCHMSA-N 0 0 455.298 4.675 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccc(Br)cn1 ZINC001435732584 1064963000 /nfs/dbraw/zinc/96/30/00/1064963000.db2.gz XJVAOAYULABUJM-UHFFFAOYSA-N 0 0 451.220 4.607 20 5 JJBDRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC001360094298 1064965387 /nfs/dbraw/zinc/96/53/87/1064965387.db2.gz UMVNBRPCKSKMFH-UHFFFAOYSA-N 0 0 454.454 4.602 20 5 JJBDRN Cc1cnc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC001435747467 1064971748 /nfs/dbraw/zinc/97/17/48/1064971748.db2.gz SSNKJGCADLQUEO-UHFFFAOYSA-N 0 0 450.236 4.810 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001435750886 1064975701 /nfs/dbraw/zinc/97/57/01/1064975701.db2.gz KFFYEELTNVPDTJ-QFIPXVFZSA-N 0 0 451.523 4.968 20 5 JJBDRN O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001435766081 1064981843 /nfs/dbraw/zinc/98/18/43/1064981843.db2.gz PRIYEDDWRXARJV-UHFFFAOYSA-N 0 0 457.240 4.725 20 5 JJBDRN COc1ccccc1COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1C ZINC001435783649 1064990310 /nfs/dbraw/zinc/99/03/10/1064990310.db2.gz OJGSCOSKRUUAJG-UHFFFAOYSA-N 0 0 451.435 4.960 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001360115269 1064997629 /nfs/dbraw/zinc/99/76/29/1064997629.db2.gz QXCAGERUTPCFNC-CQSZACIVSA-N 0 0 453.264 4.615 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001360115717 1064998487 /nfs/dbraw/zinc/99/84/87/1064998487.db2.gz IBHYDFHKLYJFKJ-UHFFFAOYSA-N 0 0 489.502 4.920 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1[N+](=O)[O-] ZINC001435828962 1065013104 /nfs/dbraw/zinc/01/31/04/1065013104.db2.gz CGCVUJAUWMDNCL-UHFFFAOYSA-N 0 0 450.831 4.601 20 5 JJBDRN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435835147 1065016065 /nfs/dbraw/zinc/01/60/65/1065016065.db2.gz BJSGPCNHIDFXRQ-RDPSFJRHSA-N 0 0 450.466 4.963 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001360124131 1065016244 /nfs/dbraw/zinc/01/62/44/1065016244.db2.gz QXLUWTZUAWRACW-CQSZACIVSA-N 0 0 451.495 4.707 20 5 JJBDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC001435840503 1065018223 /nfs/dbraw/zinc/01/82/23/1065018223.db2.gz HLIVWMLIZYEARJ-OKZBNKHCSA-N 0 0 453.539 4.681 20 5 JJBDRN CCN1C(=O)CCc2cc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 ZINC001435851430 1065023577 /nfs/dbraw/zinc/02/35/77/1065023577.db2.gz IZTHLCSMTLNARA-UHFFFAOYSA-N 0 0 453.442 4.644 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001360136856 1065032716 /nfs/dbraw/zinc/03/27/16/1065032716.db2.gz NSJGKGWFBCOABJ-UHFFFAOYSA-N 0 0 451.589 4.864 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc3cc(F)c(Br)cc3s2)cc1[N+](=O)[O-] ZINC001435868527 1065035134 /nfs/dbraw/zinc/03/51/34/1065035134.db2.gz FPHIVMLXUGBHTA-UHFFFAOYSA-N 0 0 455.221 4.575 20 5 JJBDRN COc1ccc(CSCC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC001435870150 1065035676 /nfs/dbraw/zinc/03/56/76/1065035676.db2.gz OAIWCLYJUHMMSW-MRXNPFEDSA-N 0 0 454.470 4.872 20 5 JJBDRN O=C(OCc1ccc(I)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001435884063 1065043407 /nfs/dbraw/zinc/04/34/07/1065043407.db2.gz JSBQQQRYXOJRPE-UHFFFAOYSA-N 0 0 452.031 4.863 20 5 JJBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001360165658 1065062745 /nfs/dbraw/zinc/06/27/45/1065062745.db2.gz UMLWQKBFLQEBEI-SFHVURJKSA-N 0 0 457.596 4.998 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)C(F)(F)c1ccc(Cl)cc1 ZINC001435922483 1065064941 /nfs/dbraw/zinc/06/49/41/1065064941.db2.gz KJUXGXAPFFMFQG-UHFFFAOYSA-N 0 0 453.566 4.550 20 5 JJBDRN Cc1cnc(COC(=O)c2coc(-c3ccc(Br)cc3F)n2)c(C)c1[N+](=O)[O-] ZINC001435925921 1065067281 /nfs/dbraw/zinc/06/72/81/1065067281.db2.gz FWCBWMYMFZYTKC-UHFFFAOYSA-N 0 0 450.220 4.520 20 5 JJBDRN COc1cc(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC001435936843 1065071711 /nfs/dbraw/zinc/07/17/11/1065071711.db2.gz GYAJKSBLPYPRPR-INIZCTEOSA-N 0 0 456.442 4.561 20 5 JJBDRN Cc1cc(OCC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC001360190193 1065074116 /nfs/dbraw/zinc/07/41/16/1065074116.db2.gz OBEHTSBLVFVYMF-KRWDZBQOSA-N 0 0 451.342 4.740 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001360202027 1065078807 /nfs/dbraw/zinc/07/88/07/1065078807.db2.gz LYXRXECYCGCGLJ-DOMZBBRYSA-N 0 0 450.276 4.526 20 5 JJBDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001360224607 1065087620 /nfs/dbraw/zinc/08/76/20/1065087620.db2.gz GJKRFRHWAXKABO-UHFFFAOYSA-N 0 0 453.539 4.877 20 5 JJBDRN Cc1nc2cc(Br)cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2o1 ZINC001435976327 1065089103 /nfs/dbraw/zinc/08/91/03/1065089103.db2.gz QGFAPYPEHJGTNO-UHFFFAOYSA-N 0 0 455.062 4.822 20 5 JJBDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)CC2 ZINC001435992143 1065096720 /nfs/dbraw/zinc/09/67/20/1065096720.db2.gz QSQKEDLIAYLVJZ-SFHVURJKSA-N 0 0 450.276 4.740 20 5 JJBDRN CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001436000823 1065102133 /nfs/dbraw/zinc/10/21/33/1065102133.db2.gz IPIUSROEICABKR-UHFFFAOYSA-N 0 0 452.511 4.635 20 5 JJBDRN Cc1cncc(N(Cc2ccccc2Br)C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC001436014562 1065112820 /nfs/dbraw/zinc/11/28/20/1065112820.db2.gz VCMVSTIAOGREJG-UHFFFAOYSA-N 0 0 456.296 4.673 20 5 JJBDRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001436019008 1065116762 /nfs/dbraw/zinc/11/67/62/1065116762.db2.gz IFJXYWAXRNYUJG-UHFFFAOYSA-N 0 0 450.398 4.862 20 5 JJBDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001360289476 1065126671 /nfs/dbraw/zinc/12/66/71/1065126671.db2.gz GAHCYTKBLUVZLU-ZDUSSCGKSA-N 0 0 454.389 4.725 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(OCC(C)C)nc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001360299589 1065132343 /nfs/dbraw/zinc/13/23/43/1065132343.db2.gz MXTDKPJPMKATDS-UHFFFAOYSA-N 0 0 451.479 4.865 20 5 JJBDRN CCCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)cc1OC ZINC001436057372 1065149974 /nfs/dbraw/zinc/14/99/74/1065149974.db2.gz IGMYARTYGAJLAZ-UHFFFAOYSA-N 0 0 453.289 4.806 20 5 JJBDRN CC(C)Oc1cc(C(=O)NCc2cc(Br)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC001360318604 1065152752 /nfs/dbraw/zinc/15/27/52/1065152752.db2.gz QWSJAVQMJVJABH-UHFFFAOYSA-N 0 0 459.243 4.676 20 5 JJBDRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001360321301 1065158564 /nfs/dbraw/zinc/15/85/64/1065158564.db2.gz IMLIKYBRXGNRIZ-UHFFFAOYSA-N 0 0 450.539 4.734 20 5 JJBDRN O=C(O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001360323283 1065160741 /nfs/dbraw/zinc/16/07/41/1065160741.db2.gz ZXFCNVMUSITDRS-KRWDZBQOSA-N 0 0 457.767 4.903 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001436116314 1065190996 /nfs/dbraw/zinc/19/09/96/1065190996.db2.gz QMBVUPJZOIWMGC-UHFFFAOYSA-N 0 0 458.318 4.748 20 5 JJBDRN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001436131101 1065203699 /nfs/dbraw/zinc/20/36/99/1065203699.db2.gz GAJXUVSIJXNYMW-UHFFFAOYSA-N 0 0 450.282 4.539 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)cc1[N+](=O)[O-])c1ccccn1 ZINC001436175155 1065229590 /nfs/dbraw/zinc/22/95/90/1065229590.db2.gz RLWNEHKJDFYSMX-CQSZACIVSA-N 0 0 453.524 4.766 20 5 JJBDRN COC(=O)Nc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001436196923 1065244234 /nfs/dbraw/zinc/24/42/34/1065244234.db2.gz ZTQDSTXLGOYOGB-UHFFFAOYSA-N 0 0 458.521 4.619 20 5 JJBDRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001436200943 1065247263 /nfs/dbraw/zinc/24/72/63/1065247263.db2.gz OWYAZBDXBMTCBU-HUUCEWRRSA-N 0 0 450.398 4.754 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC001360385023 1065247549 /nfs/dbraw/zinc/24/75/49/1065247549.db2.gz MJLLTNVHTLYLHW-UHFFFAOYSA-N 0 0 456.296 4.935 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC001436202936 1065248817 /nfs/dbraw/zinc/24/88/17/1065248817.db2.gz DLFFYJSCFCYOFK-QFIPXVFZSA-N 0 0 450.507 4.925 20 5 JJBDRN CC[C@H](C(=O)OC)N(C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001360408361 1065271357 /nfs/dbraw/zinc/27/13/57/1065271357.db2.gz LNHBEGOVTPCAOV-BBTUJRGHSA-N 0 0 453.539 4.676 20 5 JJBDRN CCOC(=O)N1[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[C@H]1c1ccc(C)o1 ZINC001436309277 1065293758 /nfs/dbraw/zinc/29/37/58/1065293758.db2.gz ZOTHBQNFTJZNII-GIVPXCGWSA-N 0 0 455.511 4.564 20 5 JJBDRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001436309280 1065293950 /nfs/dbraw/zinc/29/39/50/1065293950.db2.gz ZOTHBQNFTJZNII-TYPHKJRUSA-N 0 0 455.511 4.564 20 5 JJBDRN Cc1cc(C)n2c(nnc2-c2c(Cl)cccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC001436381197 1065305849 /nfs/dbraw/zinc/30/58/49/1065305849.db2.gz MZNYQOCYIQALEE-UHFFFAOYSA-N 0 0 457.277 4.875 20 5 JJBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1S(=O)(=O)C1CCCC1 ZINC001436397931 1065309524 /nfs/dbraw/zinc/30/95/24/1065309524.db2.gz OBBNPEIZFKTHMH-UHFFFAOYSA-N 0 0 456.442 4.891 20 5 JJBDRN COc1cc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc([N+](=O)[O-])c1C ZINC001360434161 1065314705 /nfs/dbraw/zinc/31/47/05/1065314705.db2.gz AKYVQEVCUZSFPX-UHFFFAOYSA-N 0 0 459.300 4.636 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC001436428321 1065316467 /nfs/dbraw/zinc/31/64/67/1065316467.db2.gz NPWDUHZWOQKXTL-QRWLVFNGSA-N 0 0 459.543 4.718 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])CC1 ZINC001360446916 1065336766 /nfs/dbraw/zinc/33/67/66/1065336766.db2.gz GLLATYUHEATQLR-QFIPXVFZSA-N 0 0 456.524 4.627 20 5 JJBDRN O=C(N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001436522702 1065341982 /nfs/dbraw/zinc/34/19/82/1065341982.db2.gz YJYGISQLZDMFRL-XMSQKQJNSA-N 0 0 456.857 4.568 20 5 JJBDRN COc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 ZINC001436522675 1065342241 /nfs/dbraw/zinc/34/22/41/1065342241.db2.gz HFZFPPLMGHEECZ-UHFFFAOYSA-N 0 0 450.491 4.856 20 5 JJBDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC001436529591 1065346501 /nfs/dbraw/zinc/34/65/01/1065346501.db2.gz UTBIVQROEUJWHS-IRXDYDNUSA-N 0 0 450.539 4.845 20 5 JJBDRN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1Cl ZINC001360454030 1065350041 /nfs/dbraw/zinc/35/00/41/1065350041.db2.gz ZLPHLQFQZJMELH-INIZCTEOSA-N 0 0 458.683 4.980 20 5 JJBDRN O=C(CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC001436538979 1065350611 /nfs/dbraw/zinc/35/06/11/1065350611.db2.gz MCOXBTLZTLFGBY-UHFFFAOYSA-N 0 0 459.289 4.722 20 5 JJBDRN COc1cc(OC)cc(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC001436540261 1065351334 /nfs/dbraw/zinc/35/13/34/1065351334.db2.gz RARMBLRDMPDDBL-CYBMUJFWSA-N 0 0 457.870 4.733 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC001436542211 1065352663 /nfs/dbraw/zinc/35/26/63/1065352663.db2.gz VWCIIPLZXXFFEB-UHFFFAOYSA-N 0 0 455.313 4.881 20 5 JJBDRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(Br)n1 ZINC001360455145 1065354573 /nfs/dbraw/zinc/35/45/73/1065354573.db2.gz ZZRGSMMESKQFJO-CQSZACIVSA-N 0 0 483.326 4.850 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001436552902 1065358005 /nfs/dbraw/zinc/35/80/05/1065358005.db2.gz QFWIGBDVTHTJOH-AVRWGWEMSA-N 0 0 453.539 4.571 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cccc21 ZINC001436572484 1065372361 /nfs/dbraw/zinc/37/23/61/1065372361.db2.gz GEYONDXULIKWSD-UHFFFAOYSA-N 0 0 453.539 4.877 20 5 JJBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001436584692 1065383190 /nfs/dbraw/zinc/38/31/90/1065383190.db2.gz IKMKEDIVLYOSPI-CYBMUJFWSA-N 0 0 457.449 4.582 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC001436599011 1065392174 /nfs/dbraw/zinc/39/21/74/1065392174.db2.gz QLSOAQHYTHBAFM-QGZVFWFLSA-N 0 0 458.312 4.801 20 5 JJBDRN COc1ccc(CSCC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC001360479826 1065398235 /nfs/dbraw/zinc/39/82/35/1065398235.db2.gz FVLWAUDVWHEROA-SSEXGKCCSA-N 0 0 450.582 4.523 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001436628137 1065405482 /nfs/dbraw/zinc/40/54/82/1065405482.db2.gz FKBJKCSXHNDLIF-QAPCUYQASA-N 0 0 451.951 4.890 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001436639075 1065412238 /nfs/dbraw/zinc/41/22/38/1065412238.db2.gz UPWIUDOUPBLVMR-UHFFFAOYSA-N 0 0 455.511 4.727 20 5 JJBDRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360498044 1065416370 /nfs/dbraw/zinc/41/63/70/1065416370.db2.gz NXZCENFUXFRMJJ-HNNXBMFYSA-N 0 0 495.527 4.687 20 5 JJBDRN C[C@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360498045 1065416436 /nfs/dbraw/zinc/41/64/36/1065416436.db2.gz NXZCENFUXFRMJJ-OAHLLOKOSA-N 0 0 495.527 4.687 20 5 JJBDRN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502410 1065428281 /nfs/dbraw/zinc/42/82/81/1065428281.db2.gz SKIGNHQUBWZKDZ-DEOSSOPVSA-N 0 0 453.470 4.545 20 5 JJBDRN CCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc1 ZINC001436778273 1065440102 /nfs/dbraw/zinc/44/01/02/1065440102.db2.gz QRDXTPDWWQVSCM-SFHVURJKSA-N 0 0 455.408 4.639 20 5 JJBDRN Cc1c(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cnn1-c1ccc(Cl)cc1 ZINC001436782481 1065440801 /nfs/dbraw/zinc/44/08/01/1065440801.db2.gz ZMIJHLPQRFMOFQ-KRWDZBQOSA-N 0 0 456.783 4.915 20 5 JJBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506354 1065443967 /nfs/dbraw/zinc/44/39/67/1065443967.db2.gz FBZPLAWDVZUWHU-OALUTQOASA-N 0 0 457.502 4.694 20 5 JJBDRN O=C(Nc1cnn(Cc2cc(F)ccc2Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001436964002 1065482137 /nfs/dbraw/zinc/48/21/37/1065482137.db2.gz FCUNPXQDNLGTDU-UHFFFAOYSA-N 0 0 453.655 4.647 20 5 JJBDRN O=C(OCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1I ZINC001436973727 1065485337 /nfs/dbraw/zinc/48/53/37/1065485337.db2.gz PVKRNGPNALPARH-UHFFFAOYSA-N 0 0 451.138 4.575 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001360522923 1065498221 /nfs/dbraw/zinc/49/82/21/1065498221.db2.gz OMXHONOLIDDHNM-CZUORRHYSA-N 0 0 460.202 4.583 20 5 JJBDRN CC(C)N(C)C(=O)c1ccccc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001437177843 1065516852 /nfs/dbraw/zinc/51/68/52/1065516852.db2.gz CBZYAIQTPUKLFS-ROUUACIJSA-N 0 0 452.555 4.810 20 5 JJBDRN O=C(Nc1cnn(-c2ccccc2)c1C(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001437212594 1065519976 /nfs/dbraw/zinc/51/99/76/1065519976.db2.gz OKHOABSUJXYIFH-UHFFFAOYSA-N 0 0 456.327 4.912 20 5 JJBDRN C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360537105 1065520657 /nfs/dbraw/zinc/52/06/57/1065520657.db2.gz XJJBYRFYFZIUAD-SFHVURJKSA-N 0 0 484.601 4.879 20 5 JJBDRN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001360540169 1065524372 /nfs/dbraw/zinc/52/43/72/1065524372.db2.gz ATSJKOBXCIWABH-AWEZNQCLSA-N 0 0 469.958 4.798 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2nccc(-c3sccc3Br)n2)c1F ZINC001437298229 1065533942 /nfs/dbraw/zinc/53/39/42/1065533942.db2.gz BKPTVVMYMQARDQ-UHFFFAOYSA-N 0 0 451.277 4.600 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1 ZINC001360544538 1065534459 /nfs/dbraw/zinc/53/44/59/1065534459.db2.gz KVHYJHSQZHEYBJ-QGZVFWFLSA-N 0 0 463.567 4.924 20 5 JJBDRN CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCc2ncsc2C1 ZINC001437366368 1065542790 /nfs/dbraw/zinc/54/27/90/1065542790.db2.gz LCCDXAJJZZEHJG-AWEZNQCLSA-N 0 0 452.374 4.543 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(F)cc43)cc2)c(C)c1[N+](=O)[O-] ZINC001437378854 1065544655 /nfs/dbraw/zinc/54/46/55/1065544655.db2.gz HHNGJXFDMXLNAK-HXUWFJFHSA-N 0 0 452.486 4.628 20 5 JJBDRN COc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001437440355 1065552500 /nfs/dbraw/zinc/55/25/00/1065552500.db2.gz TUHOXSQZPBWHDM-VQIMIIECSA-N 0 0 470.522 4.517 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001437457787 1065554807 /nfs/dbraw/zinc/55/48/07/1065554807.db2.gz YWOWHKGICBDMPX-HLAWJBBLSA-N 0 0 451.523 4.571 20 5 JJBDRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001437501336 1065563269 /nfs/dbraw/zinc/56/32/69/1065563269.db2.gz BZCYHRLQASPBAX-APPDUMDISA-N 0 0 473.245 4.978 20 5 JJBDRN CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)ccc1OC ZINC001360571684 1065565758 /nfs/dbraw/zinc/56/57/58/1065565758.db2.gz BDFAWIZTGLJZQT-UHFFFAOYSA-N 0 0 452.463 4.733 20 5 JJBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(Br)cc1Br ZINC001437523174 1065566698 /nfs/dbraw/zinc/56/66/98/1065566698.db2.gz BANDJJXOUPCCQU-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN O=C(N[C@H]1COc2cc(F)ccc2C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001437837878 1065617595 /nfs/dbraw/zinc/61/75/95/1065617595.db2.gz GYRMNMBFTYUXJD-GOSISDBHSA-N 0 0 455.873 4.733 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(COC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC001360603335 1065627993 /nfs/dbraw/zinc/62/79/93/1065627993.db2.gz QSXRPYDFQNJGHB-HSZRJFAPSA-N 0 0 451.523 4.606 20 5 JJBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001437948525 1065634371 /nfs/dbraw/zinc/63/43/71/1065634371.db2.gz LGFVHRALIKQCLH-CYBMUJFWSA-N 0 0 456.134 4.871 20 5 JJBDRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001360608643 1065636363 /nfs/dbraw/zinc/63/63/63/1065636363.db2.gz ZQZXEKBWFTVECG-UHFFFAOYSA-N 0 0 451.382 4.761 20 5 JJBDRN COc1cccc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)c1 ZINC001438148069 1065679697 /nfs/dbraw/zinc/67/96/97/1065679697.db2.gz PSOYEFZEWWSHQX-UHFFFAOYSA-N 0 0 455.580 4.596 20 5 JJBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001438154205 1065682414 /nfs/dbraw/zinc/68/24/14/1065682414.db2.gz UWIJVEOWKZBCAR-FQEVSTJZSA-N 0 0 451.376 4.926 20 5 JJBDRN COCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Cl)cc(Cl)c1 ZINC001438205560 1065694481 /nfs/dbraw/zinc/69/44/81/1065694481.db2.gz POVYUTXCGDIQAU-UHFFFAOYSA-N 0 0 452.338 4.798 20 5 JJBDRN CCOC(=O)C(CC)(CC)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001438212631 1065697787 /nfs/dbraw/zinc/69/77/87/1065697787.db2.gz YVOCKTNXQVYEAQ-UHFFFAOYSA-N 0 0 451.570 4.610 20 5 JJBDRN CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360637815 1065701608 /nfs/dbraw/zinc/70/16/08/1065701608.db2.gz HGYFPBASJPUQAD-UHFFFAOYSA-N 0 0 457.600 4.670 20 5 JJBDRN CCc1nc([C@@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 ZINC001360639098 1065706374 /nfs/dbraw/zinc/70/63/74/1065706374.db2.gz BVEXCBKAXFMQIN-GFCCVEGCSA-N 0 0 456.490 4.726 20 5 JJBDRN CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccc(F)cc1 ZINC001438342165 1065712962 /nfs/dbraw/zinc/71/29/62/1065712962.db2.gz ZLQHHTKCLBDORU-GOSISDBHSA-N 0 0 456.255 4.702 20 5 JJBDRN Cc1ccc2sc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)nc2c1C ZINC001438475662 1065724233 /nfs/dbraw/zinc/72/42/33/1065724233.db2.gz SJWWUORHGWYEKZ-UHFFFAOYSA-N 0 0 453.261 4.678 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001360649493 1065724621 /nfs/dbraw/zinc/72/46/21/1065724621.db2.gz JVSHEPSETCSIAQ-SFHVURJKSA-N 0 0 457.552 4.875 20 5 JJBDRN CC(C)C[C@H](NC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)c1ccc(Cl)cc1 ZINC001360659777 1065728379 /nfs/dbraw/zinc/72/83/79/1065728379.db2.gz NXIFSANDKLCBAQ-KRWDZBQOSA-N 0 0 451.857 4.590 20 5 JJBDRN Cc1cc(=O)c(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC001360659941 1065728996 /nfs/dbraw/zinc/72/89/96/1065728996.db2.gz QOGSVLOEFPIJDH-GOSISDBHSA-N 0 0 454.914 4.620 20 5 JJBDRN CN(CC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC001438620199 1065737043 /nfs/dbraw/zinc/73/70/43/1065737043.db2.gz VGFGFVAQQMEVFW-OAQYLSRUSA-N 0 0 453.436 4.813 20 5 JJBDRN CCOC(=O)c1cc(Br)c(C)cc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001438690407 1065744015 /nfs/dbraw/zinc/74/40/15/1065744015.db2.gz FRZFPINMNPPLRK-UHFFFAOYSA-N 0 0 453.264 4.553 20 5 JJBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC001438932876 1065768556 /nfs/dbraw/zinc/76/85/56/1065768556.db2.gz HSQXBGHFJXZEHB-OAHLLOKOSA-N 0 0 454.118 4.846 20 5 JJBDRN CCOc1cc(Br)c(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1OCC ZINC001439033948 1065778699 /nfs/dbraw/zinc/77/86/99/1065778699.db2.gz ZKELUVJIBDXAJA-CYBMUJFWSA-N 0 0 451.317 4.575 20 5 JJBDRN C[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001439028746 1065778721 /nfs/dbraw/zinc/77/87/21/1065778721.db2.gz FFOSDZBWKYVGGZ-QGZVFWFLSA-N 0 0 455.580 4.874 20 5 JJBDRN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001439033760 1065778789 /nfs/dbraw/zinc/77/87/89/1065778789.db2.gz YBMBKRGPCPMURR-QGZVFWFLSA-N 0 0 459.531 4.812 20 5 JJBDRN COc1ccccc1[C@H]1CSCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001439092746 1065784130 /nfs/dbraw/zinc/78/41/30/1065784130.db2.gz GPNNUWRONDUMCJ-QGZVFWFLSA-N 0 0 451.342 4.686 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN(Cc1ccccc1)c1ccccn1 ZINC001439112469 1065789011 /nfs/dbraw/zinc/78/90/11/1065789011.db2.gz ZZJGLVMWXHJYKA-UHFFFAOYSA-N 0 0 450.564 4.927 20 5 JJBDRN O=C(NCC1(c2ccc(Br)cc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001439112723 1065789101 /nfs/dbraw/zinc/78/91/01/1065789101.db2.gz VSNQJFMHQIYUNG-UHFFFAOYSA-N 0 0 458.337 4.942 20 5 JJBDRN CC(C)[C@H]1CCC[C@@](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)(C(F)(F)F)CC1 ZINC001439133040 1065791096 /nfs/dbraw/zinc/79/10/96/1065791096.db2.gz STAJHTDGRYNZFA-KKSFZXQISA-N 0 0 457.493 4.699 20 5 JJBDRN CC(C)Oc1cc(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001439180956 1065795508 /nfs/dbraw/zinc/79/55/08/1065795508.db2.gz FADHUTKEUFBAKG-VCOUNFBDSA-N 0 0 452.507 4.509 20 5 JJBDRN O=C(OCc1cc(Br)ccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001439227679 1065802458 /nfs/dbraw/zinc/80/24/58/1065802458.db2.gz YSJFZSHJZBJPAX-UHFFFAOYSA-N 0 0 450.676 4.613 20 5 JJBDRN COc1cc(C(=O)NCc2nc3c(s2)CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001439246129 1065803700 /nfs/dbraw/zinc/80/37/00/1065803700.db2.gz MSMWUMOIIFPIEG-UHFFFAOYSA-N 0 0 459.911 4.924 20 5 JJBDRN COC(=O)c1cc(C2CCCCC2)sc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001439594086 1065846183 /nfs/dbraw/zinc/84/61/83/1065846183.db2.gz XWNVWDWIXJSOTF-UHFFFAOYSA-N 0 0 454.508 4.929 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cccc(-c2ccon2)c1)c1cccc([N+](=O)[O-])c1 ZINC001439610368 1065847534 /nfs/dbraw/zinc/84/75/34/1065847534.db2.gz LPHXUNXNNPLMHA-QHCPKHFHSA-N 0 0 452.467 4.628 20 5 JJBDRN COC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)C ZINC001439611752 1065847817 /nfs/dbraw/zinc/84/78/17/1065847817.db2.gz OQCVVXZILPULHV-QFIPXVFZSA-N 0 0 453.583 4.702 20 5 JJBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439635874 1065851321 /nfs/dbraw/zinc/85/13/21/1065851321.db2.gz DFXVLSAVWBCBEH-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN COc1ccc(-c2cc(C(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])nn2-c2ccccc2)cc1 ZINC001439720374 1065864563 /nfs/dbraw/zinc/86/45/63/1065864563.db2.gz QKOFJSWVMPWPIL-SFHVURJKSA-N 0 0 456.502 4.990 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(Br)c(F)cc2C1 ZINC001439768310 1065872980 /nfs/dbraw/zinc/87/29/80/1065872980.db2.gz DNMUVHZWHKXMTM-UHFFFAOYSA-N 0 0 459.724 4.827 20 5 JJBDRN Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001439796722 1065879463 /nfs/dbraw/zinc/87/94/63/1065879463.db2.gz OJTFCEJRUZADEI-UHFFFAOYSA-N 0 0 452.389 4.685 20 5 JJBDRN Cc1c[nH]c(=O)c(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 ZINC001439888907 1065889286 /nfs/dbraw/zinc/88/92/86/1065889286.db2.gz ILRCQEPSRJQENT-UHFFFAOYSA-N 0 0 452.517 4.695 20 5 JJBDRN CCOC(=O)C[C@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC001439886382 1065889337 /nfs/dbraw/zinc/88/93/37/1065889337.db2.gz FMEKASFKNJVAKV-LLVKDONJSA-N 0 0 453.314 4.506 20 5 JJBDRN O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440020343 1065903691 /nfs/dbraw/zinc/90/36/91/1065903691.db2.gz MEJLYVRTOQIBGD-JKSUJKDBSA-N 0 0 452.454 4.920 20 5 JJBDRN COc1cc(C(=O)NCCC2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001440028318 1065904609 /nfs/dbraw/zinc/90/46/09/1065904609.db2.gz LKVGLEWNVUEDCQ-UHFFFAOYSA-N 0 0 455.483 4.584 20 5 JJBDRN CC[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793618 1065908217 /nfs/dbraw/zinc/90/82/17/1065908217.db2.gz MEYGKRFSZMSPIW-ROUUACIJSA-N 0 0 459.930 4.900 20 5 JJBDRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001360804012 1065915438 /nfs/dbraw/zinc/91/54/38/1065915438.db2.gz KZCMESGGENHDCN-UHFFFAOYSA-N 0 0 453.264 4.838 20 5 JJBDRN CC(C)(C)OC(=O)NCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC(C)(C)C1 ZINC001360805211 1065916931 /nfs/dbraw/zinc/91/69/31/1065916931.db2.gz KRRAPOMQMWTBKM-UHFFFAOYSA-N 0 0 472.590 4.785 20 5 JJBDRN CC1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccnc(OC(F)F)c2)C1 ZINC001360805404 1065917195 /nfs/dbraw/zinc/91/71/95/1065917195.db2.gz QCLYADFGRHQXTL-UHFFFAOYSA-N 0 0 458.469 4.524 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)Nc2ncc(Oc3ccccc3)cn2)cc1[N+](=O)[O-])c1ccccn1 ZINC001440165546 1065919026 /nfs/dbraw/zinc/91/90/26/1065919026.db2.gz SSGQHSVFGQBMOT-INIZCTEOSA-N 0 0 456.462 4.998 20 5 JJBDRN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CCOC2 ZINC001440168767 1065919605 /nfs/dbraw/zinc/91/96/05/1065919605.db2.gz GEPSDSLZVFSGBQ-UHFFFAOYSA-N 0 0 459.524 4.511 20 5 JJBDRN O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360810579 1065923748 /nfs/dbraw/zinc/92/37/48/1065923748.db2.gz UXEPMKBQUOWWCX-UHFFFAOYSA-N 0 0 450.882 4.702 20 5 JJBDRN COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001440247051 1065926347 /nfs/dbraw/zinc/92/63/47/1065926347.db2.gz GCJATCZIGAHAEL-UHFFFAOYSA-N 0 0 455.511 4.657 20 5 JJBDRN O=C(Oc1cc(Br)ccc1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001440275630 1065927392 /nfs/dbraw/zinc/92/73/92/1065927392.db2.gz MHTFWYYEBQJQOH-UHFFFAOYSA-N 0 0 456.090 4.913 20 5 JJBDRN CCOc1ccc(CN(C)C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC001440329128 1065930178 /nfs/dbraw/zinc/93/01/78/1065930178.db2.gz DCPDJECHNPPDIN-QZTJIDSGSA-N 0 0 455.555 4.757 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc2[N+](=O)[O-])C1 ZINC001440366093 1065932990 /nfs/dbraw/zinc/93/29/90/1065932990.db2.gz BYLCVBSHIUPRBE-SEPYTNNBSA-N 0 0 458.990 4.763 20 5 JJBDRN COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1Cl ZINC001360820064 1065933027 /nfs/dbraw/zinc/93/30/27/1065933027.db2.gz QBJZSYKYQIFUGQ-OAQYLSRUSA-N 0 0 454.866 4.547 20 5 JJBDRN COc1ccc2cc([C@H](C)OC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 ZINC001360820061 1065933037 /nfs/dbraw/zinc/93/30/37/1065933037.db2.gz PXJKBHXHRSJVGG-LIRRHRJNSA-N 0 0 454.504 4.727 20 5 JJBDRN CC(C)c1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1[N+](=O)[O-] ZINC001440398528 1065938441 /nfs/dbraw/zinc/93/84/41/1065938441.db2.gz ROVFDIYFEAXRKT-UHFFFAOYSA-N 0 0 452.374 4.500 20 5 JJBDRN CC1(C)SCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360832177 1065943800 /nfs/dbraw/zinc/94/38/00/1065943800.db2.gz GRGGULIXKOOCDI-MRXNPFEDSA-N 0 0 497.543 4.733 20 5 JJBDRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440633696 1065955985 /nfs/dbraw/zinc/95/59/85/1065955985.db2.gz BOGNXFMHDIGJDZ-CQSZACIVSA-N 0 0 453.461 4.907 20 5 JJBDRN Cc1nc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC001440636161 1065956580 /nfs/dbraw/zinc/95/65/80/1065956580.db2.gz LAHYWIDHJFZSLA-UHFFFAOYSA-N 0 0 450.442 4.887 20 5 JJBDRN Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440635331 1065956662 /nfs/dbraw/zinc/95/66/62/1065956662.db2.gz JZDVWUKYJXPTME-UHFFFAOYSA-N 0 0 450.442 4.887 20 5 JJBDRN Cc1sc(C)c(Cn2c(C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)c1Br ZINC001360848898 1065958381 /nfs/dbraw/zinc/95/83/81/1065958381.db2.gz JBIQGGHHXZFEQW-UHFFFAOYSA-N 0 0 462.373 4.547 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@H]1CCC(=O)c2cccn21 ZINC001360850315 1065960154 /nfs/dbraw/zinc/96/01/54/1065960154.db2.gz ZUFOLYAKNJPVAT-GOSISDBHSA-N 0 0 457.845 4.815 20 5 JJBDRN COC(=O)c1ccc(Cl)c(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC001440668379 1065961317 /nfs/dbraw/zinc/96/13/17/1065961317.db2.gz XSVXQMVLSOBZRT-UHFFFAOYSA-N 0 0 454.822 4.506 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC001440772932 1065978254 /nfs/dbraw/zinc/97/82/54/1065978254.db2.gz HRRRIBLQULNHES-UHFFFAOYSA-N 0 0 459.915 4.669 20 5 JJBDRN CCOCCOCc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C ZINC001360859097 1065978652 /nfs/dbraw/zinc/97/86/52/1065978652.db2.gz GHOZSAKHIUGKSG-UHFFFAOYSA-N 0 0 455.555 4.945 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC001441023797 1066001758 /nfs/dbraw/zinc/00/17/58/1066001758.db2.gz CEURSTHIZRPSMO-LLVKDONJSA-N 0 0 454.936 4.563 20 5 JJBDRN Cn1cnnc1C1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC001441123356 1066009168 /nfs/dbraw/zinc/00/91/68/1066009168.db2.gz DPNXNDMQRXHOOJ-UHFFFAOYSA-N 0 0 457.943 4.548 20 5 JJBDRN Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001441237246 1066018179 /nfs/dbraw/zinc/01/81/79/1066018179.db2.gz KUNYUYOHKGOLMY-UHFFFAOYSA-N 0 0 450.442 4.887 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001360882688 1066036227 /nfs/dbraw/zinc/03/62/27/1066036227.db2.gz VFRKMJJTTBMFJM-OAHLLOKOSA-N 0 0 453.520 4.940 20 5 JJBDRN COc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2Cl)cc1 ZINC001360897804 1066050631 /nfs/dbraw/zinc/05/06/31/1066050631.db2.gz OOVSMIRXPWCRFE-HSZRJFAPSA-N 0 0 456.882 4.550 20 5 JJBDRN CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360907241 1066061426 /nfs/dbraw/zinc/06/14/26/1066061426.db2.gz ZOOQJSKLLFKJDE-UHFFFAOYSA-N 0 0 457.600 4.670 20 5 JJBDRN Cc1ccc(Cc2cnc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)s2)cc1F ZINC001441723942 1066064322 /nfs/dbraw/zinc/06/43/22/1066064322.db2.gz AOTAUTNRGMXSNT-UHFFFAOYSA-N 0 0 452.467 4.655 20 5 JJBDRN O=C(Cc1coc2cc(F)ccc12)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441734869 1066065343 /nfs/dbraw/zinc/06/53/43/1066065343.db2.gz HBFCJPLYDAFCAL-IBGZPJMESA-N 0 0 454.454 4.651 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(F)cc(Br)cc1F ZINC001360909400 1066065843 /nfs/dbraw/zinc/06/58/43/1066065843.db2.gz QJRYDFAKCGEEKA-UHFFFAOYSA-N 0 0 450.033 4.579 20 5 JJBDRN C[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001441752278 1066067752 /nfs/dbraw/zinc/06/77/52/1066067752.db2.gz LSVIVVUUFUDXSS-FOIQADDNSA-N 0 0 453.495 4.654 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ncc(Cc2ccccc2Cl)s1 ZINC001441754303 1066068268 /nfs/dbraw/zinc/06/82/68/1066068268.db2.gz VOCITVGCDPLOLU-UHFFFAOYSA-N 0 0 454.895 4.861 20 5 JJBDRN Cc1ccsc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001360920369 1066076830 /nfs/dbraw/zinc/07/68/30/1066076830.db2.gz UKSHCJSMLCGVIB-HXUWFJFHSA-N 0 0 455.584 4.717 20 5 JJBDRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001360926059 1066082219 /nfs/dbraw/zinc/08/22/19/1066082219.db2.gz VQXRDXAMFMNTEA-UHFFFAOYSA-N 0 0 459.502 4.872 20 5 JJBDRN Cc1c(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)cnn1C ZINC001360932403 1066089913 /nfs/dbraw/zinc/08/99/13/1066089913.db2.gz MMXPASRUVONYKH-PXNSSMCTSA-N 0 0 491.518 4.900 20 5 JJBDRN O=C(NCC1(c2ccc(Br)cc2)CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001442076914 1066090136 /nfs/dbraw/zinc/09/01/36/1066090136.db2.gz BOPSGYNJXPKOJE-UHFFFAOYSA-N 0 0 455.255 4.810 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1Cl ZINC001442146164 1066097572 /nfs/dbraw/zinc/09/75/72/1066097572.db2.gz CQLDVHYMVRRIIL-CYBMUJFWSA-N 0 0 452.736 4.575 20 5 JJBDRN CCc1ccc(CC)c(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC001360952204 1066109133 /nfs/dbraw/zinc/10/91/33/1066109133.db2.gz YWNDCVGQURPVDJ-UHFFFAOYSA-N 0 0 454.504 4.740 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C ZINC001360955023 1066111459 /nfs/dbraw/zinc/11/14/59/1066111459.db2.gz IFRPHDGHQCJLKH-UHFFFAOYSA-N 0 0 450.474 4.784 20 5 JJBDRN O=C(NCC1(c2ccccc2Br)CC1)c1cc([N+](=O)[O-])ccc1Br ZINC001360968742 1066125609 /nfs/dbraw/zinc/12/56/09/1066125609.db2.gz YBRZKYNTOVBTOS-UHFFFAOYSA-N 0 0 454.118 4.581 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001360980710 1066139071 /nfs/dbraw/zinc/13/90/71/1066139071.db2.gz AKQOEBPRLJXAGE-OAHLLOKOSA-N 0 0 451.483 4.619 20 5 JJBDRN CCOc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC001360980914 1066139114 /nfs/dbraw/zinc/13/91/14/1066139114.db2.gz FBSCKLMOCSPVSG-CQSZACIVSA-N 0 0 459.499 4.840 20 5 JJBDRN 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Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001454009077 1066233494 /nfs/dbraw/zinc/23/34/94/1066233494.db2.gz VPNRYEJILAYSSA-UHFFFAOYSA-N 0 0 451.292 4.626 20 5 JJBDRN O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001454071500 1066243250 /nfs/dbraw/zinc/24/32/50/1066243250.db2.gz UWFJXWFYLNXACV-FQEVSTJZSA-N 0 0 451.910 4.732 20 5 JJBDRN COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001361032767 1066247709 /nfs/dbraw/zinc/24/77/09/1066247709.db2.gz GUEKWWCGDXFCCH-NRFANRHFSA-N 0 0 454.866 4.547 20 5 JJBDRN CCCc1c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)nnn1-c1cccc(Cl)c1 ZINC001454442599 1066283003 /nfs/dbraw/zinc/28/30/03/1066283003.db2.gz XEJJSKIMJIXTIC-UHFFFAOYSA-N 0 0 452.273 4.504 20 5 JJBDRN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001454441373 1066283051 /nfs/dbraw/zinc/28/30/51/1066283051.db2.gz SURAJEHKEMTYGR-UHFFFAOYSA-N 0 0 455.195 4.573 20 5 JJBDRN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001443291724 1066290600 /nfs/dbraw/zinc/29/06/00/1066290600.db2.gz BWSKQTOTJYRPHM-LAUBAEHRSA-N 0 0 459.568 4.793 20 5 JJBDRN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001443367159 1066302491 /nfs/dbraw/zinc/30/24/91/1066302491.db2.gz FFKXMOLFJXJMCL-UHFFFAOYSA-N 0 0 455.561 4.934 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(COc2ccccc2)CC1 ZINC001443406071 1066306676 /nfs/dbraw/zinc/30/66/76/1066306676.db2.gz JLTXBUCCYXBHBG-UHFFFAOYSA-N 0 0 451.445 4.733 20 5 JJBDRN COC(=O)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC001443692896 1066351085 /nfs/dbraw/zinc/35/10/85/1066351085.db2.gz UURNPCCZZXIIEC-LJQANCHMSA-N 0 0 450.516 4.741 20 5 JJBDRN CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)Sc1ccc(Br)cc1 ZINC001361102561 1066352333 /nfs/dbraw/zinc/35/23/33/1066352333.db2.gz WYSAHYLUZKWRIW-UHFFFAOYSA-N 0 0 457.321 4.562 20 5 JJBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)OCc1ccccc1Cl ZINC001443797550 1066369392 /nfs/dbraw/zinc/36/93/92/1066369392.db2.gz SESIVKZHZXVPGV-UHFFFAOYSA-N 0 0 456.907 4.873 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1Cl ZINC001455406068 1066387050 /nfs/dbraw/zinc/38/70/50/1066387050.db2.gz AYFUXYKGHAIVAI-KRWDZBQOSA-N 0 0 459.930 4.648 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccncc1Br ZINC001455457629 1066392885 /nfs/dbraw/zinc/39/28/85/1066392885.db2.gz LVSCMOSJUYOELM-CQSZACIVSA-N 0 0 455.312 4.855 20 5 JJBDRN CC(C)c1cc([C@@H]2CCCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]n1 ZINC001455465095 1066394926 /nfs/dbraw/zinc/39/49/26/1066394926.db2.gz UDCNWZNVQRFCCN-CQSZACIVSA-N 0 0 453.465 4.668 20 5 JJBDRN Cc1ccc(N2CCC[C@H](NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC001361133691 1066404819 /nfs/dbraw/zinc/40/48/19/1066404819.db2.gz YLFALVNDVIVFIN-KRWDZBQOSA-N 0 0 450.461 4.509 20 5 JJBDRN CCc1ccc(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC001361138188 1066412971 /nfs/dbraw/zinc/41/29/71/1066412971.db2.gz MJPJJUQFLMBHPH-UHFFFAOYSA-N 0 0 454.504 4.995 20 5 JJBDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455677123 1066423437 /nfs/dbraw/zinc/42/34/37/1066423437.db2.gz ITUSPIWTABUZMH-UHFFFAOYSA-N 0 0 457.462 4.544 20 5 JJBDRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001361142799 1066424151 /nfs/dbraw/zinc/42/41/51/1066424151.db2.gz HOPNMNMRVVAFNZ-UHFFFAOYSA-N 0 0 459.428 4.784 20 5 JJBDRN O=C(Nc1c[nH]c2ccc(Br)cc12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001455718756 1066427354 /nfs/dbraw/zinc/42/73/54/1066427354.db2.gz WVVJOMZDAMXUIX-UHFFFAOYSA-N 0 0 457.053 4.993 20 5 JJBDRN CCn1cc(CN(C)C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cn1 ZINC001444216427 1066430735 /nfs/dbraw/zinc/43/07/35/1066430735.db2.gz AJRCGOUEQVNJSC-UHFFFAOYSA-N 0 0 453.549 4.844 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC001455790171 1066431702 /nfs/dbraw/zinc/43/17/02/1066431702.db2.gz OGVGGNJRFZQEPI-BFUOFWGJSA-N 0 0 452.408 4.670 20 5 JJBDRN CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001455810983 1066436002 /nfs/dbraw/zinc/43/60/02/1066436002.db2.gz WMBNJURPGYAHGZ-CQSZACIVSA-N 0 0 459.930 4.771 20 5 JJBDRN CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001361158327 1066461333 /nfs/dbraw/zinc/46/13/33/1066461333.db2.gz QIGRZXQSENWUGJ-MRXNPFEDSA-N 0 0 456.486 4.993 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC001456017243 1066475625 /nfs/dbraw/zinc/47/56/25/1066475625.db2.gz JCNIMOZVAUCFAG-UHFFFAOYSA-N 0 0 457.798 4.587 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)c1 ZINC001456055049 1066495919 /nfs/dbraw/zinc/49/59/19/1066495919.db2.gz QJXBAUCVOHIFAR-UHFFFAOYSA-N 0 0 452.854 4.813 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001456071257 1066502130 /nfs/dbraw/zinc/50/21/30/1066502130.db2.gz AFXYHCOLCNXFDS-CYBMUJFWSA-N 0 0 452.736 4.975 20 5 JJBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001444799427 1066505153 /nfs/dbraw/zinc/50/51/53/1066505153.db2.gz QCILJYOIPJLSSE-QGZVFWFLSA-N 0 0 452.324 4.808 20 5 JJBDRN CC(C)c1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(F)cc1 ZINC001444800152 1066505692 /nfs/dbraw/zinc/50/56/92/1066505692.db2.gz LXUYGHWMYYUTAY-UHFFFAOYSA-N 0 0 452.486 4.727 20 5 JJBDRN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1CCCCCC1 ZINC001456112492 1066511596 /nfs/dbraw/zinc/51/15/96/1066511596.db2.gz SSALIAVZXLAWPS-JOCHJYFZSA-N 0 0 453.539 4.696 20 5 JJBDRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC001456122329 1066514785 /nfs/dbraw/zinc/51/47/85/1066514785.db2.gz XUKKZJBOOVWEJL-UHFFFAOYSA-N 0 0 452.532 4.933 20 5 JJBDRN O=C(NC[C@H]1CCCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001361189872 1066515164 /nfs/dbraw/zinc/51/51/64/1066515164.db2.gz PIZLRGUCHBOOIV-JOCHJYFZSA-N 0 0 458.518 4.763 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001456137144 1066518642 /nfs/dbraw/zinc/51/86/42/1066518642.db2.gz XTBFSFNETPTBDR-HXUWFJFHSA-N 0 0 457.449 4.619 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001444967640 1066524602 /nfs/dbraw/zinc/52/46/02/1066524602.db2.gz FRGMWPAYYVTOQB-FZKQIMNGSA-N 0 0 450.308 4.542 20 5 JJBDRN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001456164243 1066526720 /nfs/dbraw/zinc/52/67/20/1066526720.db2.gz QRTLRGKIWPLVDX-AOMKIAJQSA-N 0 0 459.905 4.788 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)Nc3nnc(CC4CCCCC4)s3)cc2)c(C)c1[N+](=O)[O-] ZINC001456177748 1066530147 /nfs/dbraw/zinc/53/01/47/1066530147.db2.gz FFIXZZNOIKCUSM-UHFFFAOYSA-N 0 0 454.556 4.683 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001361204750 1066535575 /nfs/dbraw/zinc/53/55/75/1066535575.db2.gz HRIFMTLITPSRSI-HXUWFJFHSA-N 0 0 456.564 4.936 20 5 JJBDRN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC001456230596 1066541299 /nfs/dbraw/zinc/54/12/99/1066541299.db2.gz XQPJBHQBDUKXTB-UHFFFAOYSA-N 0 0 450.513 4.790 20 5 JJBDRN O=C(C[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001445277440 1066551776 /nfs/dbraw/zinc/55/17/76/1066551776.db2.gz SOAHHGQWVBXISS-GOSISDBHSA-N 0 0 459.340 4.944 20 5 JJBDRN CCNc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1[N+](=O)[O-] ZINC001456277090 1066553840 /nfs/dbraw/zinc/55/38/40/1066553840.db2.gz JJAKPELAYMOWEE-UHFFFAOYSA-N 0 0 451.504 4.506 20 5 JJBDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])cc2I)o1 ZINC001361235685 1066575725 /nfs/dbraw/zinc/57/57/25/1066575725.db2.gz YATIERVMPLNWMT-BDJLRTHQSA-N 0 0 454.264 4.714 20 5 JJBDRN COc1cc(C(=O)NC[C@@H](O)c2ccccc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001445673200 1066599783 /nfs/dbraw/zinc/59/97/83/1066599783.db2.gz QRXXMRLQGNHMSU-LJQANCHMSA-N 0 0 456.882 4.821 20 5 JJBDRN Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1Br ZINC001361252361 1066599758 /nfs/dbraw/zinc/59/97/58/1066599758.db2.gz HMVLMDXYXORKKG-ZDUSSCGKSA-N 0 0 457.328 4.959 20 5 JJBDRN CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 ZINC001361256868 1066605633 /nfs/dbraw/zinc/60/56/33/1066605633.db2.gz HBLAKBUOFAHLFF-UHFFFAOYSA-N 0 0 452.248 4.681 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O[C@H]1CCCc2cc(F)ccc21 ZINC001361260442 1066610414 /nfs/dbraw/zinc/61/04/14/1066610414.db2.gz LRKKQZVFEZJWPG-KRWDZBQOSA-N 0 0 455.223 4.881 20 5 JJBDRN O=C(NC[C@H](O)COc1ccccc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001445779747 1066615921 /nfs/dbraw/zinc/61/59/21/1066615921.db2.gz OXSRCMLGFJAFGF-INIZCTEOSA-N 0 0 458.923 4.569 20 5 JJBDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1C ZINC001456550904 1066622986 /nfs/dbraw/zinc/62/29/86/1066622986.db2.gz AACMEIVZDXOUNN-UHFFFAOYSA-N 0 0 459.300 4.567 20 5 JJBDRN CC[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC001445827759 1066624213 /nfs/dbraw/zinc/62/42/13/1066624213.db2.gz ZVJBDPMHYOWINO-AUSIDOKSSA-N 0 0 455.461 4.727 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(N(C)c4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC001361270169 1066624326 /nfs/dbraw/zinc/62/43/26/1066624326.db2.gz RHCJBUMQHKXGEP-WOJBJXKFSA-N 0 0 450.583 4.818 20 5 JJBDRN CC(=O)N(Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1)C1CC1 ZINC001456592108 1066635563 /nfs/dbraw/zinc/63/55/63/1066635563.db2.gz QYJDRDXQIGQRBW-UHFFFAOYSA-N 0 0 459.502 4.937 20 5 JJBDRN O=C(NCCCCSc1ccccc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001456607705 1066641601 /nfs/dbraw/zinc/64/16/01/1066641601.db2.gz YBCVJHODHDEOGF-UHFFFAOYSA-N 0 0 454.302 4.568 20 5 JJBDRN CC(=O)OC1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC001446161874 1066667582 /nfs/dbraw/zinc/66/75/82/1066667582.db2.gz UPKUPVYBCRDPTJ-UHFFFAOYSA-N 0 0 457.533 4.523 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001446383083 1066699901 /nfs/dbraw/zinc/69/99/01/1066699901.db2.gz LKRYOKYZAXMZOY-HXUWFJFHSA-N 0 0 457.412 4.912 20 5 JJBDRN CCCCOCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001456816116 1066700057 /nfs/dbraw/zinc/70/00/57/1066700057.db2.gz DSMLZFWRCOYSNW-UHFFFAOYSA-N 0 0 451.317 4.829 20 5 JJBDRN Cc1cnc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C)[C@H]2C)s1 ZINC001492629520 1066701349 /nfs/dbraw/zinc/70/13/49/1066701349.db2.gz CJHNJBPQXAGUMP-FVQBIDKESA-N 0 0 458.613 4.752 20 5 JJBDRN Nc1c(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001446421604 1066703650 /nfs/dbraw/zinc/70/36/50/1066703650.db2.gz MPUUAKCWCDPUSW-LJQANCHMSA-N 0 0 452.308 4.879 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2sc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2C1 ZINC001446515965 1066713566 /nfs/dbraw/zinc/71/35/66/1066713566.db2.gz KJQPNYBLYHWHSS-UHFFFAOYSA-N 0 0 457.552 4.754 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 ZINC001492636602 1066721677 /nfs/dbraw/zinc/72/16/77/1066721677.db2.gz DXCXUCGHQIQHFB-HNAYVOBHSA-N 0 0 470.599 4.673 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCSC(C)(C)C2)n1 ZINC001492637478 1066723484 /nfs/dbraw/zinc/72/34/84/1066723484.db2.gz RXCFYQKHFUOLHW-CQSZACIVSA-N 0 0 458.613 4.754 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC=C(Br)C2)n1 ZINC001492637542 1066723999 /nfs/dbraw/zinc/72/39/99/1066723999.db2.gz UJFZDTXPHLMKFU-ZDUSSCGKSA-N 0 0 489.399 4.911 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)n1 ZINC001492637521 1066724019 /nfs/dbraw/zinc/72/40/19/1066724019.db2.gz TZIPRIDLWUDFDL-CYBMUJFWSA-N 0 0 469.596 4.823 20 5 JJBDRN O=C(Nn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001446594413 1066725081 /nfs/dbraw/zinc/72/50/81/1066725081.db2.gz YCQROIJVZOJBNT-UHFFFAOYSA-N 0 0 453.705 4.742 20 5 JJBDRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC001456988745 1066736895 /nfs/dbraw/zinc/73/68/95/1066736895.db2.gz KLPYNUPKVUKZMB-JOCHJYFZSA-N 0 0 450.466 4.838 20 5 JJBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C3)cs1 ZINC001446966569 1066759884 /nfs/dbraw/zinc/75/98/84/1066759884.db2.gz ZGZHDEFMQNHWJQ-UHFFFAOYSA-N 0 0 458.521 4.812 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC001457098061 1066761479 /nfs/dbraw/zinc/76/14/79/1066761479.db2.gz UYSCVJCRUIYFKL-GFCCVEGCSA-N 0 0 455.736 4.916 20 5 JJBDRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC001457113248 1066764819 /nfs/dbraw/zinc/76/48/19/1066764819.db2.gz HJVRUZXTRXVBNU-FQEVSTJZSA-N 0 0 456.543 4.574 20 5 JJBDRN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001447010011 1066764964 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OGVOFQUPPFHVPI-UHFFFAOYSA-N 0 0 454.866 4.899 20 5 JJBDRN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001447200259 1066781913 /nfs/dbraw/zinc/78/19/13/1066781913.db2.gz OARGRGPIBIRYCR-UHFFFAOYSA-N 0 0 453.911 4.530 20 5 JJBDRN C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2cc(Cl)ccc2n1C ZINC001457186388 1066782269 /nfs/dbraw/zinc/78/22/69/1066782269.db2.gz MAMINTFZWYNWBT-JTQLQIEISA-N 0 0 452.692 4.744 20 5 JJBDRN O=C(COc1ccccc1[N+](=O)[O-])O[C@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001457187828 1066782862 /nfs/dbraw/zinc/78/28/62/1066782862.db2.gz FDZDUMGDFXKDMG-OAHLLOKOSA-N 0 0 452.154 4.722 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2Cc2ccc(Cl)s2)cs1 ZINC001492665469 1066787266 /nfs/dbraw/zinc/78/72/66/1066787266.db2.gz JRHCQXZUUSJMMQ-UHFFFAOYSA-N 0 0 474.999 4.942 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cc1 ZINC001447338359 1066795961 /nfs/dbraw/zinc/79/59/61/1066795961.db2.gz FMYZJRYOSUJZOH-QGZVFWFLSA-N 0 0 456.495 4.590 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCCS2)cs1 ZINC001492668828 1066797353 /nfs/dbraw/zinc/79/73/53/1066797353.db2.gz YYOSIBSEYJCZRL-LJQANCHMSA-N 0 0 472.640 4.507 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@@H]2CCCCS2)cs1 ZINC001492668827 1066797378 /nfs/dbraw/zinc/79/73/78/1066797378.db2.gz YYOSIBSEYJCZRL-IBGZPJMESA-N 0 0 472.640 4.507 20 5 JJBDRN CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001457261049 1066798613 /nfs/dbraw/zinc/79/86/13/1066798613.db2.gz RTQAWPAJQYLYBI-UHFFFAOYSA-N 0 0 455.536 4.581 20 5 JJBDRN C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001447401798 1066804492 /nfs/dbraw/zinc/80/44/92/1066804492.db2.gz PDUPJUGCKVJOJT-QGZVFWFLSA-N 0 0 452.511 4.794 20 5 JJBDRN O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001457294859 1066805857 /nfs/dbraw/zinc/80/58/57/1066805857.db2.gz RPZUNAJQDCLEIJ-NRFANRHFSA-N 0 0 454.385 4.902 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc2ccccc2o1 ZINC001457438477 1066832023 /nfs/dbraw/zinc/83/20/23/1066832023.db2.gz RYZWYMAVFHQTDU-UHFFFAOYSA-N 0 0 450.232 4.526 20 5 JJBDRN COc1ccc2[nH]c(NC(=O)c3ccccc3C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2c1 ZINC001447644308 1066834855 /nfs/dbraw/zinc/83/48/55/1066834855.db2.gz OIGWJYGPRRJAFF-UHFFFAOYSA-N 0 0 458.474 4.634 20 5 JJBDRN O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001447652421 1066836069 /nfs/dbraw/zinc/83/60/69/1066836069.db2.gz DVTXGVUNVMLVJW-QPPBQGQZSA-N 0 0 458.555 4.912 20 5 JJBDRN O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001447652436 1066836085 /nfs/dbraw/zinc/83/60/85/1066836085.db2.gz DVTXGVUNVMLVJW-ZJSXRUAMSA-N 0 0 458.555 4.912 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC001457490167 1066841916 /nfs/dbraw/zinc/84/19/16/1066841916.db2.gz BFFQTIHFTGESAD-LSDHHAIUSA-N 0 0 450.919 4.546 20 5 JJBDRN O=C(CC1(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1)Nc1nccs1 ZINC001546000476 1066859553 /nfs/dbraw/zinc/85/95/53/1066859553.db2.gz PLQRJLKLHHJDLG-UHFFFAOYSA-N 0 0 456.568 4.912 20 5 JJBDRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001447799386 1066860834 /nfs/dbraw/zinc/86/08/34/1066860834.db2.gz KOLDXRKBWBQVPM-XOBRGWDASA-N 0 0 454.470 4.959 20 5 JJBDRN Cc1c(C(=O)N(Cc2ccccc2Br)CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001457566696 1066864100 /nfs/dbraw/zinc/86/41/00/1066864100.db2.gz LVXKUSFHKMHHSH-UHFFFAOYSA-N 0 0 450.289 4.872 20 5 JJBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)c2ccccc2S1 ZINC001457591335 1066873445 /nfs/dbraw/zinc/87/34/45/1066873445.db2.gz IPLUTSFWWNUZOW-UHFFFAOYSA-N 0 0 454.289 4.731 20 5 JJBDRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)CC3 ZINC001447947110 1066879925 /nfs/dbraw/zinc/87/99/25/1066879925.db2.gz RKYVDDNNDMYRRX-UHFFFAOYSA-N 0 0 453.520 4.562 20 5 JJBDRN O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001457715751 1066903252 /nfs/dbraw/zinc/90/32/52/1066903252.db2.gz WZTPEINUZMPMJF-UHFFFAOYSA-N 0 0 459.371 4.984 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC001457734059 1066906078 /nfs/dbraw/zinc/90/60/78/1066906078.db2.gz JXZJHAGIRMRDGC-OAHLLOKOSA-N 0 0 453.720 4.832 20 5 JJBDRN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001457762457 1066914048 /nfs/dbraw/zinc/91/40/48/1066914048.db2.gz JAISAZNNSXOPAF-OAHLLOKOSA-N 0 0 452.292 4.683 20 5 JJBDRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001457779440 1066917904 /nfs/dbraw/zinc/91/79/04/1066917904.db2.gz BQNAHKAHOYJPMN-OAHLLOKOSA-N 0 0 457.335 4.528 20 5 JJBDRN C[C@@](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)(C(N)=O)c1ccccc1 ZINC001457801403 1066923777 /nfs/dbraw/zinc/92/37/77/1066923777.db2.gz YEVQDBXRCVOQJU-QFIPXVFZSA-N 0 0 455.923 4.530 20 5 JJBDRN 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CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC001457952912 1066947099 /nfs/dbraw/zinc/94/70/99/1066947099.db2.gz KGAQIQQMCJNAPJ-QGZVFWFLSA-N 0 0 454.548 4.769 20 5 JJBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N(CCO)C1CCSCC1 ZINC001448719292 1066953041 /nfs/dbraw/zinc/95/30/41/1066953041.db2.gz HJYNTPGTMQJVDY-UHFFFAOYSA-N 0 0 452.985 4.730 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCOCc2ccc(Cl)cc2)cc1 ZINC001457990148 1066953254 /nfs/dbraw/zinc/95/32/54/1066953254.db2.gz XHHPRTVKDJNOPR-UHFFFAOYSA-N 0 0 456.882 4.996 20 5 JJBDRN O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001448724271 1066953960 /nfs/dbraw/zinc/95/39/60/1066953960.db2.gz MHXKOWUXSKDJIE-UHFFFAOYSA-N 0 0 453.911 4.762 20 5 JJBDRN O=C(Nc1ccc(Br)c(OCC2CCCCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001458022072 1066957790 /nfs/dbraw/zinc/95/77/90/1066957790.db2.gz GJNLPXXWBFDEEN-UHFFFAOYSA-N 0 0 450.289 4.669 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC001458054330 1066962147 /nfs/dbraw/zinc/96/21/47/1066962147.db2.gz KIDQLTZLZZBDAX-CYBMUJFWSA-N 0 0 456.362 4.561 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1SCc1ccc(Br)cc1 ZINC001458059270 1066964476 /nfs/dbraw/zinc/96/44/76/1066964476.db2.gz LUVWYUDVTFSCEG-UHFFFAOYSA-N 0 0 456.261 4.943 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cccc(CO)c1 ZINC001545716350 1066970894 /nfs/dbraw/zinc/97/08/94/1066970894.db2.gz NYTABQFGTUFWSZ-DEDYPNTBSA-N 0 0 459.527 4.944 20 5 JJBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)c1ccc(=O)n(-c2ccccc2)n1 ZINC001458091735 1066971725 /nfs/dbraw/zinc/97/17/25/1066971725.db2.gz GMMCTTVRQDOMRB-UHFFFAOYSA-N 0 0 450.501 4.606 20 5 JJBDRN Cc1c(CC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)nnn1-c1ccccc1 ZINC001458095258 1066973616 /nfs/dbraw/zinc/97/36/16/1066973616.db2.gz WKEAADJXRCWCSW-UHFFFAOYSA-N 0 0 451.533 4.878 20 5 JJBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Sc1cccs1)C1=NN(c2ccccc2)C(=O)CC1 ZINC001458095694 1066973696 /nfs/dbraw/zinc/97/36/96/1066973696.db2.gz ZLJLPECFTZHHLJ-UHFFFAOYSA-N 0 0 452.517 4.929 20 5 JJBDRN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c1)c1ccncc1 ZINC001458117913 1066980779 /nfs/dbraw/zinc/98/07/79/1066980779.db2.gz IZIUPAJQEDHALB-UHFFFAOYSA-N 0 0 455.474 4.828 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)s2)CC1 ZINC001449114508 1066983463 /nfs/dbraw/zinc/98/34/63/1066983463.db2.gz DORCRFSKNWVCKE-UHFFFAOYSA-N 0 0 450.492 4.557 20 5 JJBDRN COc1ccc([C@H](Cc2ccc(F)cc2)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC001458141638 1066986227 /nfs/dbraw/zinc/98/62/27/1066986227.db2.gz GOKLFRRSUDZXRO-KRWDZBQOSA-N 0 0 450.513 4.603 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC001458140289 1066986238 /nfs/dbraw/zinc/98/62/38/1066986238.db2.gz WWPFOXMXEVDLFU-CQSZACIVSA-N 0 0 459.490 4.842 20 5 JJBDRN O=C(Nc1cccc(F)c1)C1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC001458145811 1066987597 /nfs/dbraw/zinc/98/75/97/1066987597.db2.gz JSLFFPNBLPFVNW-UHFFFAOYSA-N 0 0 450.470 4.563 20 5 JJBDRN O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)nc1-c1ccc(F)cc1 ZINC001458146819 1066987983 /nfs/dbraw/zinc/98/79/83/1066987983.db2.gz YVPJKGNMAOZKLT-NRFANRHFSA-N 0 0 456.905 4.935 20 5 JJBDRN O=[N+]([O-])c1cc(CO)c(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1F ZINC001458150800 1066989105 /nfs/dbraw/zinc/98/91/05/1066989105.db2.gz LARAMDSDXPPOPY-DEOSSOPVSA-N 0 0 455.917 4.791 20 5 JJBDRN CC[C@H](c1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])o1)c1ccccc1 ZINC001458155578 1066990797 /nfs/dbraw/zinc/99/07/97/1066990797.db2.gz BYDWHPJTRMKUJG-ZDUSSCGKSA-N 0 0 455.464 4.667 20 5 JJBDRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156556 1066991657 /nfs/dbraw/zinc/99/16/57/1066991657.db2.gz UNQZHKHDTZKNJS-HXOBKFHXSA-N 0 0 458.990 4.643 20 5 JJBDRN CCC(=O)c1ccc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001458159500 1066992808 /nfs/dbraw/zinc/99/28/08/1066992808.db2.gz DLAIGYKMGZELKX-HXUWFJFHSA-N 0 0 451.445 4.692 20 5 JJBDRN CCC(=O)c1ccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001458159495 1066992820 /nfs/dbraw/zinc/99/28/20/1066992820.db2.gz DLAIGYKMGZELKX-FQEVSTJZSA-N 0 0 451.445 4.692 20 5 JJBDRN COc1cc(OC)cc(Oc2cccc(CNC(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)c2)c1 ZINC001449264235 1066994074 /nfs/dbraw/zinc/99/40/74/1066994074.db2.gz MMVRJHOLPQEKTA-UHFFFAOYSA-N 0 0 456.882 4.917 20 5 JJBDRN CCc1nn(C)c(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001458169675 1066995208 /nfs/dbraw/zinc/99/52/08/1066995208.db2.gz PIEPASHOFRVAFE-OAQYLSRUSA-N 0 0 454.575 4.584 20 5 JJBDRN Cc1ccc(C[C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC001458173992 1066996433 /nfs/dbraw/zinc/99/64/33/1066996433.db2.gz CNKSUDMAPMQZHY-NRFANRHFSA-N 0 0 457.596 4.679 20 5 JJBDRN C[C@H](c1ccccc1Br)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001458184356 1066999407 /nfs/dbraw/zinc/99/94/07/1066999407.db2.gz QRDHSCUWSMDQRU-LLVKDONJSA-N 0 0 456.134 4.882 20 5 JJBDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001458192438 1067001195 /nfs/dbraw/zinc/00/11/95/1067001195.db2.gz BLVUCKJVQHHJCX-HXUWFJFHSA-N 0 0 450.470 4.720 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)c2c1 ZINC001458198631 1067001790 /nfs/dbraw/zinc/00/17/90/1067001790.db2.gz QFYDCUIRGVXBSB-NSHDSACASA-N 0 0 453.808 4.781 20 5 JJBDRN COc1ccc(NC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)cc1[N+](=O)[O-] ZINC001458223909 1067006746 /nfs/dbraw/zinc/00/67/46/1067006746.db2.gz ITDMBFQHIRSECO-KRWDZBQOSA-N 0 0 455.511 4.800 20 5 JJBDRN COc1ccc(NC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)cc1[N+](=O)[O-] ZINC001458223910 1067006919 /nfs/dbraw/zinc/00/69/19/1067006919.db2.gz ITDMBFQHIRSECO-QGZVFWFLSA-N 0 0 455.511 4.800 20 5 JJBDRN COC(=O)/C=C\c1ccc(NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC001458239482 1067009809 /nfs/dbraw/zinc/00/98/09/1067009809.db2.gz QZFFVBQJWIBFRR-RCBBPTIPSA-N 0 0 455.511 4.979 20 5 JJBDRN CCn1c(=O)c2cc(F)ccc2nc1Sc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001458262310 1067015694 /nfs/dbraw/zinc/01/56/94/1067015694.db2.gz NSURUVXLJNLLMW-UHFFFAOYSA-N 0 0 452.467 4.589 20 5 JJBDRN CN(C(=O)c1ccnc(NC(=O)OC(C)(C)C)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001458276215 1067018869 /nfs/dbraw/zinc/01/88/69/1067018869.db2.gz JOUSQLIQEWCQKR-UHFFFAOYSA-N 0 0 455.496 4.737 20 5 JJBDRN COc1ccn2c(c1)ncc2C(=O)N(CC(C)C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001458278264 1067019602 /nfs/dbraw/zinc/01/96/02/1067019602.db2.gz LPYQCMXXUBTGBS-UHFFFAOYSA-N 0 0 451.508 4.677 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449717937 1067023395 /nfs/dbraw/zinc/02/33/95/1067023395.db2.gz ZSDMAGLFVMZDAJ-HKBOAZHASA-N 0 0 459.587 4.659 20 5 JJBDRN COc1ccc([C@@H](C)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c(Br)c1 ZINC001458295079 1067023799 /nfs/dbraw/zinc/02/37/99/1067023799.db2.gz WQWIKWMQEJOEQL-CYBMUJFWSA-N 0 0 456.296 4.919 20 5 JJBDRN O=C(c1ccccc1)c1ccc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c([N+](=O)[O-])c1 ZINC001458300800 1067025280 /nfs/dbraw/zinc/02/52/80/1067025280.db2.gz IGYAEZJVBNFIHX-FQEVSTJZSA-N 0 0 453.857 4.836 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)c([N+](=O)[O-])c2)cc1 ZINC001458302540 1067025489 /nfs/dbraw/zinc/02/54/89/1067025489.db2.gz DGDKHYYIMPBTFO-OAQYLSRUSA-N 0 0 451.445 4.685 20 5 JJBDRN CC(C)(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC001449797661 1067029405 /nfs/dbraw/zinc/02/94/05/1067029405.db2.gz LIMANUVGNRYKPZ-UHFFFAOYSA-N 0 0 452.898 4.603 20 5 JJBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001458329607 1067032217 /nfs/dbraw/zinc/03/22/17/1067032217.db2.gz KJPMLMPLLDUURK-QGZVFWFLSA-N 0 0 457.321 4.853 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc21 ZINC001449854055 1067032271 /nfs/dbraw/zinc/03/22/71/1067032271.db2.gz MDOAGACOBAZZKS-FQEVSTJZSA-N 0 0 451.523 4.912 20 5 JJBDRN C[C@H](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449855012 1067032344 /nfs/dbraw/zinc/03/23/44/1067032344.db2.gz OVPRQJLXAPIILG-HLAWJBBLSA-N 0 0 459.587 4.974 20 5 JJBDRN CC(C)(C)c1cc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc(C(C)(C)C)n1 ZINC001458331431 1067032425 /nfs/dbraw/zinc/03/24/25/1067032425.db2.gz OZTHROMFMXGUHK-UHFFFAOYSA-N 0 0 451.575 4.573 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458341026 1067035432 /nfs/dbraw/zinc/03/54/32/1067035432.db2.gz ATIQCTXHIAGTBC-QAPCUYQASA-N 0 0 456.495 4.562 20 5 JJBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC001458344376 1067036705 /nfs/dbraw/zinc/03/67/05/1067036705.db2.gz WRTFSYLOVRCENU-UHFFFAOYSA-N 0 0 453.911 4.530 20 5 JJBDRN COc1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1Cl ZINC001458365754 1067043060 /nfs/dbraw/zinc/04/30/60/1067043060.db2.gz SLGYPCDSWZKXER-UHFFFAOYSA-N 0 0 456.973 4.724 20 5 JJBDRN COc1ccccc1O[C@@H]1CCCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001458371831 1067044529 /nfs/dbraw/zinc/04/45/29/1067044529.db2.gz VKOSJJIEKWHEOD-OAHLLOKOSA-N 0 0 458.312 4.962 20 5 JJBDRN CCS(=O)(=O)c1ccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])s1 ZINC001458371374 1067044568 /nfs/dbraw/zinc/04/45/68/1067044568.db2.gz YRXJWAAQLMFYMV-UHFFFAOYSA-N 0 0 459.549 4.623 20 5 JJBDRN COc1cc(OC)c(C[C@H](C)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c(OC)c1 ZINC001458379719 1067046489 /nfs/dbraw/zinc/04/64/89/1067046489.db2.gz GENDYEVJQSDTHS-INIZCTEOSA-N 0 0 450.491 4.895 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccnc(OCC(F)(F)F)c1 ZINC001458379654 1067046674 /nfs/dbraw/zinc/04/66/74/1067046674.db2.gz XIPAOVHWSRSZGW-UHFFFAOYSA-N 0 0 455.336 4.681 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@]4(CC4(F)F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458469053 1067070059 /nfs/dbraw/zinc/07/00/59/1067070059.db2.gz NVIFGUDGGICFQM-FQEVSTJZSA-N 0 0 451.495 4.638 20 5 JJBDRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001458474356 1067071630 /nfs/dbraw/zinc/07/16/30/1067071630.db2.gz DFNYBAHTICJDTJ-RTWAWAEBSA-N 0 0 473.957 4.558 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001458491800 1067074027 /nfs/dbraw/zinc/07/40/27/1067074027.db2.gz RERRLRUXULOYDK-UKRRQHHQSA-N 0 0 454.449 4.673 20 5 JJBDRN O=C(Cc1c(F)ccc(Br)c1F)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001458496540 1067075124 /nfs/dbraw/zinc/07/51/24/1067075124.db2.gz ACRJMSQXXQJIPV-UHFFFAOYSA-N 0 0 450.033 4.579 20 5 JJBDRN CO[C@@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC001458498280 1067075136 /nfs/dbraw/zinc/07/51/36/1067075136.db2.gz DJMLNXCDABPDEF-GFCCVEGCSA-N 0 0 450.108 4.508 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CC4(CCCC4)OC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC001458501325 1067075997 /nfs/dbraw/zinc/07/59/97/1067075997.db2.gz FCKXVGXQQXMBBA-GOSISDBHSA-N 0 0 459.568 4.550 20 5 JJBDRN CCOc1ccc([C@H](O)C2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)cc1 ZINC001450409331 1067078186 /nfs/dbraw/zinc/07/81/86/1067078186.db2.gz LZOUKTQBTPTVCU-FQEVSTJZSA-N 0 0 452.429 4.598 20 5 JJBDRN CCc1cc(N2CCOc3cc(Br)ccc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458513472 1067078644 /nfs/dbraw/zinc/07/86/44/1067078644.db2.gz ODTOBFQYGRIAJE-UHFFFAOYSA-N 0 0 455.312 4.776 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCN(CC(F)(F)F)[C@@H](C)C3)cc2[N+](=O)[O-])cc1 ZINC001458522729 1067080261 /nfs/dbraw/zinc/08/02/61/1067080261.db2.gz REIASKLARNLBFJ-HNNXBMFYSA-N 0 0 453.486 4.763 20 5 JJBDRN CCc1cc(N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458539110 1067084760 /nfs/dbraw/zinc/08/47/60/1067084760.db2.gz YSVGUSNLUYAPOW-IBGZPJMESA-N 0 0 455.559 4.888 20 5 JJBDRN CCc1cc(N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458539113 1067084775 /nfs/dbraw/zinc/08/47/75/1067084775.db2.gz YSVGUSNLUYAPOW-LJQANCHMSA-N 0 0 455.559 4.888 20 5 JJBDRN CC[C@@H](OC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001458572503 1067089965 /nfs/dbraw/zinc/08/99/65/1067089965.db2.gz RFCMOWOCCPGDIQ-LEWJYISDSA-N 0 0 453.495 4.566 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001458585886 1067090894 /nfs/dbraw/zinc/09/08/94/1067090894.db2.gz ZIBKHWAGPNHSBJ-CMPLNLGQSA-N 0 0 457.371 4.753 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001458594183 1067092238 /nfs/dbraw/zinc/09/22/38/1067092238.db2.gz JXFZAGBHOPADLI-JKSUJKDBSA-N 0 0 462.344 4.710 20 5 JJBDRN C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001458612824 1067095693 /nfs/dbraw/zinc/09/56/93/1067095693.db2.gz DDEILWVCQOKPMB-LBPRGKRZSA-N 0 0 459.384 4.604 20 5 JJBDRN C[C@@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001458667330 1067104368 /nfs/dbraw/zinc/10/43/68/1067104368.db2.gz ZPIMBBLKPHIOSV-KOHRHEQBSA-N 0 0 459.568 4.560 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N(Cc1cccs1)Cc1ccncc1 ZINC001458693974 1067110815 /nfs/dbraw/zinc/11/08/15/1067110815.db2.gz AHFRQVFSJOHHGN-UHFFFAOYSA-N 0 0 457.455 4.552 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1Cc2ccc(Br)cc2C1 ZINC001458716549 1067114895 /nfs/dbraw/zinc/11/48/95/1067114895.db2.gz QQWIJHVEXVVBGZ-UHFFFAOYSA-N 0 0 458.234 4.721 20 5 JJBDRN COc1ccc([C@H](CCO)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC001545806973 1067123635 /nfs/dbraw/zinc/12/36/35/1067123635.db2.gz WLFCTNCGQYLESM-FQEVSTJZSA-N 0 0 456.882 4.903 20 5 JJBDRN Cc1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1NC(=O)OC(C)(C)C ZINC001458838562 1067166159 /nfs/dbraw/zinc/16/61/59/1067166159.db2.gz ANSMRSIJYMXDTO-UHFFFAOYSA-N 0 0 453.293 4.604 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001451646630 1067182490 /nfs/dbraw/zinc/18/24/90/1067182490.db2.gz QYPAVPKKKKAERQ-AWEZNQCLSA-N 0 0 455.349 4.640 20 5 JJBDRN CN(CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1)C(=O)OC(C)(C)C ZINC001545838504 1067191986 /nfs/dbraw/zinc/19/19/86/1067191986.db2.gz QSDYPSUAKPYEAG-UHFFFAOYSA-N 0 0 451.539 4.507 20 5 JJBDRN COc1cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001452058662 1067205301 /nfs/dbraw/zinc/20/53/01/1067205301.db2.gz JPBGLFUQSULVDW-UHFFFAOYSA-N 0 0 450.476 4.886 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452200297 1067213748 /nfs/dbraw/zinc/21/37/48/1067213748.db2.gz WISIJPUWAZWGTQ-CQSZACIVSA-N 0 0 459.955 4.755 20 5 JJBDRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001458974147 1067214404 /nfs/dbraw/zinc/21/44/04/1067214404.db2.gz NDGYIAJDOXQTQJ-UHFFFAOYSA-N 0 0 454.368 4.509 20 5 JJBDRN CCn1c(S[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458977720 1067215603 /nfs/dbraw/zinc/21/56/03/1067215603.db2.gz LKNRKNPABIVWCQ-PBHICJAKSA-N 0 0 457.581 4.779 20 5 JJBDRN C[C@H](OC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)c1cccc(OCc2ccccc2)c1 ZINC001458983547 1067218241 /nfs/dbraw/zinc/21/82/41/1067218241.db2.gz WQVFESBBKBHRHP-SFHVURJKSA-N 0 0 458.474 4.732 20 5 JJBDRN COc1ccc(C2=NN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccco3)C2)cc1 ZINC001459014447 1067229104 /nfs/dbraw/zinc/22/91/04/1067229104.db2.gz CBVJYPXTBNWINF-OAQYLSRUSA-N 0 0 451.504 4.808 20 5 JJBDRN COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1[N+](=O)[O-] ZINC001459025288 1067231209 /nfs/dbraw/zinc/23/12/09/1067231209.db2.gz KEMRBFHQPLIYDR-UHFFFAOYSA-N 0 0 455.492 4.718 20 5 JJBDRN O=C(COc1cc([N+](=O)[O-])ccc1I)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001459029438 1067233236 /nfs/dbraw/zinc/23/32/36/1067233236.db2.gz CDPFBQWKDXIVHB-UWVGGRQHSA-N 0 0 457.186 4.516 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC001459071335 1067244340 /nfs/dbraw/zinc/24/43/40/1067244340.db2.gz QYETWPZWTJIAEZ-UHFFFAOYSA-N 0 0 453.314 4.898 20 5 JJBDRN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001546043365 1067246014 /nfs/dbraw/zinc/24/60/14/1067246014.db2.gz QENJQJQAPCVBQP-FGZHOGPDSA-N 0 0 485.629 4.825 20 5 JJBDRN O=[N+]([O-])c1ccc(OCCOc2c(Br)cccc2Br)c(F)c1F ZINC001459094384 1067249795 /nfs/dbraw/zinc/24/97/95/1067249795.db2.gz FNQZEOFOXTYEEU-UHFFFAOYSA-N 0 0 453.033 4.856 20 5 JJBDRN Cc1cc(Br)c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)cc1Br ZINC001459107224 1067252161 /nfs/dbraw/zinc/25/21/61/1067252161.db2.gz JLQBADVNLZJCAT-UHFFFAOYSA-N 0 0 458.106 4.797 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001459119814 1067255048 /nfs/dbraw/zinc/25/50/48/1067255048.db2.gz HDFLMUWRJXLBCV-QKKBWIMNSA-N 0 0 453.322 4.675 20 5 JJBDRN COC(=O)c1cccc(OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1[N+](=O)[O-] ZINC001459136917 1067258490 /nfs/dbraw/zinc/25/84/90/1067258490.db2.gz HTFCRYGULABZRG-UHFFFAOYSA-N 0 0 455.492 4.718 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cn1)CCC2 ZINC001459145608 1067260527 /nfs/dbraw/zinc/26/05/27/1067260527.db2.gz GAGSTJVINQTKIO-UHFFFAOYSA-N 0 0 457.895 4.685 20 5 JJBDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001459194461 1067269454 /nfs/dbraw/zinc/26/94/54/1067269454.db2.gz LZVNUVRPRCXUJM-OAHLLOKOSA-N 0 0 455.736 4.778 20 5 JJBDRN O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001459228723 1067274409 /nfs/dbraw/zinc/27/44/09/1067274409.db2.gz PIZLBUCCMBLYPQ-BHDDXSALSA-N 0 0 466.335 4.956 20 5 JJBDRN COC(=O)c1c(NC(=O)COc2cc(Cl)c([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC001459276556 1067280927 /nfs/dbraw/zinc/28/09/27/1067280927.db2.gz XVNWSWCMFOGLRF-UHFFFAOYSA-N 0 0 459.307 4.646 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001459297819 1067285844 /nfs/dbraw/zinc/28/58/44/1067285844.db2.gz OHVIFOIIHUJQFD-IBGZPJMESA-N 0 0 459.474 4.654 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC001459319467 1067293595 /nfs/dbraw/zinc/29/35/95/1067293595.db2.gz SOORUMHENRIQLW-QFIPXVFZSA-N 0 0 455.942 4.567 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001453285860 1067293980 /nfs/dbraw/zinc/29/39/80/1067293980.db2.gz IRJMJJMENIQUNM-KRWDZBQOSA-N 0 0 450.413 4.695 20 5 JJBDRN CCCCOc1ccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cn1 ZINC001459359883 1067303007 /nfs/dbraw/zinc/30/30/07/1067303007.db2.gz WNCFWMCEEUOFBY-QHCPKHFHSA-N 0 0 458.515 4.547 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001459387265 1067310165 /nfs/dbraw/zinc/31/01/65/1067310165.db2.gz MGCPNGHJWJSILQ-NRFANRHFSA-N 0 0 456.543 4.861 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453576249 1067315130 /nfs/dbraw/zinc/31/51/30/1067315130.db2.gz INUUHDCVUSNNRJ-AJSBUHFISA-N 0 0 467.566 4.683 20 5 JJBDRN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001459412100 1067316710 /nfs/dbraw/zinc/31/67/10/1067316710.db2.gz CQNJDUXGOUXGQS-UHFFFAOYSA-N 0 0 450.398 4.862 20 5 JJBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001459496791 1067339033 /nfs/dbraw/zinc/33/90/33/1067339033.db2.gz RMQXSICFSAUCAP-IBGZPJMESA-N 0 0 454.315 4.904 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C ZINC001459515564 1067342640 /nfs/dbraw/zinc/34/26/40/1067342640.db2.gz GOAZTSULWICJHC-UHFFFAOYSA-N 0 0 453.520 4.965 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 ZINC001459559099 1067351258 /nfs/dbraw/zinc/35/12/58/1067351258.db2.gz NVQHEMZDMXQEAB-UHFFFAOYSA-N 0 0 456.905 4.902 20 5 JJBDRN O=[N+]([O-])c1ccc2c(c1)CN(CCCOc1c(Br)cccc1Br)C2 ZINC001459586140 1067357596 /nfs/dbraw/zinc/35/75/96/1067357596.db2.gz ANIAMYIUYNHKHL-UHFFFAOYSA-N 0 0 456.134 4.905 20 5 JJBDRN CC1(C)C[C@H](OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2cc(Br)ccc2O1 ZINC001459610412 1067363146 /nfs/dbraw/zinc/36/31/46/1067363146.db2.gz QAWVOJWNNCLXNO-INIZCTEOSA-N 0 0 450.241 4.545 20 5 JJBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663158 1067375521 /nfs/dbraw/zinc/37/55/21/1067375521.db2.gz MITDQWGMVHRGPX-ZBFHGGJFSA-N 0 0 455.902 4.505 20 5 JJBDRN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459717012 1067394476 /nfs/dbraw/zinc/39/44/76/1067394476.db2.gz LHTBSVOMXPWDFI-ZDUSSCGKSA-N 0 0 453.549 4.960 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1cccc(OCc2ccccc2)c1 ZINC001459800901 1067429582 /nfs/dbraw/zinc/42/95/82/1067429582.db2.gz HEWZBJUIYXCQLU-IBGZPJMESA-N 0 0 456.502 4.910 20 5 JJBDRN CCC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC001459832865 1067444834 /nfs/dbraw/zinc/44/48/34/1067444834.db2.gz DIXLMTQSIQXLNJ-UHFFFAOYSA-N 0 0 458.639 4.698 20 5 JJBDRN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1I ZINC001459853789 1067458210 /nfs/dbraw/zinc/45/82/10/1067458210.db2.gz DRNKUXDLZSQLIJ-HUUCEWRRSA-N 0 0 450.276 4.656 20 5 JJBDRN O=C(Nc1cc(F)c(Br)c(Cl)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001459908142 1067484149 /nfs/dbraw/zinc/48/41/49/1067484149.db2.gz ILEFKZMLXSUFDT-UHFFFAOYSA-N 0 0 453.655 4.647 20 5 JJBDRN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC001459964934 1067509560 /nfs/dbraw/zinc/50/95/60/1067509560.db2.gz UIXPQTCSNUQPPW-XJKSGUPXSA-N 0 0 450.438 4.827 20 5 JJBDRN COc1cc(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)c([N+](=O)[O-])cc1OC(F)F ZINC001459964920 1067509565 /nfs/dbraw/zinc/50/95/65/1067509565.db2.gz UIXPQTCSNUQPPW-BBRMVZONSA-N 0 0 450.438 4.827 20 5 JJBDRN O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001459976216 1067512667 /nfs/dbraw/zinc/51/26/67/1067512667.db2.gz CWDKPQBKUQYGHS-KRWDZBQOSA-N 0 0 453.720 4.908 20 5 JJBDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 ZINC001460002432 1067522364 /nfs/dbraw/zinc/52/23/64/1067522364.db2.gz AXGRKAHUDDRHQE-DAXSKMNVSA-N 0 0 450.358 4.709 20 5 JJBDRN COc1ccc(NC(=O)CN2CCC(F)(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001460018391 1067529566 /nfs/dbraw/zinc/52/95/66/1067529566.db2.gz JZAUWMRNLZBPQR-UHFFFAOYSA-N 0 0 455.408 4.522 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001460109913 1067556987 /nfs/dbraw/zinc/55/69/87/1067556987.db2.gz GUVSLJRCCXSLQR-RTBURBONSA-N 0 0 451.552 4.578 20 5 JJBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2Oc2cccc(Br)c2)n1 ZINC001460115939 1067558632 /nfs/dbraw/zinc/55/86/32/1067558632.db2.gz MDOWCOFSUWCPGG-UHFFFAOYSA-N 0 0 451.664 4.789 20 5 JJBDRN Cc1cc(I)cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001460204699 1067578620 /nfs/dbraw/zinc/57/86/20/1067578620.db2.gz PGFKDJJZZFMELE-HNNXBMFYSA-N 0 0 450.276 4.528 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCc2c1ccc(F)c2Br ZINC001460231850 1067585387 /nfs/dbraw/zinc/58/53/87/1067585387.db2.gz ZRRCMMKMECTRAX-AWEZNQCLSA-N 0 0 457.683 4.722 20 5 JJBDRN O=[N+]([O-])c1cccc([C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C(F)(F)F)c1F ZINC001460247789 1067590715 /nfs/dbraw/zinc/59/07/15/1067590715.db2.gz OECRGJIICKBWRV-AWEZNQCLSA-N 0 0 452.158 4.798 20 5 JJBDRN Cc1ccc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1[N+](=O)[O-] ZINC001460289108 1067599714 /nfs/dbraw/zinc/59/97/14/1067599714.db2.gz QVTOIYLVVLAVPZ-UHFFFAOYSA-N 0 0 457.220 4.782 20 5 JJBDRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC001460299824 1067601309 /nfs/dbraw/zinc/60/13/09/1067601309.db2.gz WWPPBUFXIBVXCF-UHFFFAOYSA-N 0 0 455.496 4.737 20 5 JJBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCS[C@@H](c2ccccc2)C1 ZINC001460357903 1067616799 /nfs/dbraw/zinc/61/67/99/1067616799.db2.gz DQDJZNSTYNWJHB-MGPUTAFESA-N 0 0 454.577 4.835 20 5 JJBDRN CSc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001460425133 1067632696 /nfs/dbraw/zinc/63/26/96/1067632696.db2.gz IEPBKXTYSIYNQX-UHFFFAOYSA-N 0 0 457.552 4.934 20 5 JJBDRN O=C(N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001460465817 1067639015 /nfs/dbraw/zinc/63/90/15/1067639015.db2.gz YKQKXRGLPHMIJQ-PGRDOPGGSA-N 0 0 456.857 4.568 20 5 JJBDRN COc1cc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc(OC)c1C ZINC001460524174 1067649117 /nfs/dbraw/zinc/64/91/17/1067649117.db2.gz UFGRBIJEDYAMEM-UHFFFAOYSA-N 0 0 451.266 4.665 20 5 JJBDRN Cc1csc([C@@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC001460530443 1067651760 /nfs/dbraw/zinc/65/17/60/1067651760.db2.gz MOFMACGPXGPIAR-BWACUDIHSA-N 0 0 456.490 4.875 20 5 JJBDRN COc1cc(C(=O)N[C@H]2CCCc3c(F)cccc32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001460563067 1067656595 /nfs/dbraw/zinc/65/65/95/1067656595.db2.gz YMESZKPIHNRXTQ-SFHVURJKSA-N 0 0 457.483 4.585 20 5 JJBDRN C[C@@H]1CN(c2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)C[C@H](C)O1 ZINC001460600045 1067666489 /nfs/dbraw/zinc/66/64/89/1067666489.db2.gz STMPBFANZBSSQW-IYBDPMFKSA-N 0 0 453.520 4.689 20 5 JJBDRN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)c([N+](=O)[O-])cc1OC ZINC001460641220 1067682185 /nfs/dbraw/zinc/68/21/85/1067682185.db2.gz DLEAYCCISVBFGO-NRFANRHFSA-N 0 0 450.491 4.725 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460749656 1067715549 /nfs/dbraw/zinc/71/55/49/1067715549.db2.gz WLVMNPUPLKRGGK-ISJBWFOZSA-N 0 0 467.566 4.891 20 5 JJBDRN CCN(c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)n1)C1CCCC1 ZINC001460799003 1067726117 /nfs/dbraw/zinc/72/61/17/1067726117.db2.gz CHYJBCCENUVIOR-UHFFFAOYSA-N 0 0 452.559 4.642 20 5 JJBDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460799851 1067726689 /nfs/dbraw/zinc/72/66/89/1067726689.db2.gz XFBGUEXHUDJAEO-FYSMJZIKSA-N 0 0 459.518 4.563 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC001460866349 1067737411 /nfs/dbraw/zinc/73/74/11/1067737411.db2.gz UIYXOKBUJQAJKB-XMMPIXPASA-N 0 0 454.548 4.983 20 5 JJBDRN COc1cc(CN2CCC(c3nc4c(s3)CCC4)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460889629 1067744251 /nfs/dbraw/zinc/74/42/51/1067744251.db2.gz UEGOLOOPHIYHHV-UHFFFAOYSA-N 0 0 453.511 4.572 20 5 JJBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCSC[C@H]1C1CCC1 ZINC001461029336 1067765090 /nfs/dbraw/zinc/76/50/90/1067765090.db2.gz ASFZXYWWQLFZPD-IBGZPJMESA-N 0 0 457.518 4.574 20 5 JJBDRN Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001461108560 1067783506 /nfs/dbraw/zinc/78/35/06/1067783506.db2.gz UIZDHYVAIURYHL-DEOSSOPVSA-N 0 0 451.567 4.809 20 5 JJBDRN O=C(Oc1cccc2sccc21)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001461225774 1067803874 /nfs/dbraw/zinc/80/38/74/1067803874.db2.gz VFJFZFKOQYHSHI-UHFFFAOYSA-N 0 0 455.469 4.796 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2ccccc2Br)CCC1 ZINC001461308484 1067825228 /nfs/dbraw/zinc/82/52/28/1067825228.db2.gz WAQAZSMSJLUEJQ-UHFFFAOYSA-N 0 0 453.720 4.975 20 5 JJBDRN Cc1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)ccc1-n1cnnn1 ZINC001461320091 1067827706 /nfs/dbraw/zinc/82/77/06/1067827706.db2.gz GMJOPJGYTZKISK-UHFFFAOYSA-N 0 0 455.272 4.514 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001461378914 1067841982 /nfs/dbraw/zinc/84/19/82/1067841982.db2.gz IGHAXPXATKVLCB-HJPURHCSSA-N 0 0 463.600 4.864 20 5 JJBDRN COCc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001461393905 1067845445 /nfs/dbraw/zinc/84/54/45/1067845445.db2.gz RYRAGRMHVQZVQA-UHFFFAOYSA-N 0 0 452.307 4.953 20 5 JJBDRN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001461417519 1067851367 /nfs/dbraw/zinc/85/13/67/1067851367.db2.gz VQUHSTKFGGDANB-NRFANRHFSA-N 0 0 452.429 4.886 20 5 JJBDRN O=C(NCCO[C@@H]1CC1(F)F)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001461419697 1067852363 /nfs/dbraw/zinc/85/23/63/1067852363.db2.gz XOMAASPXEVQOAI-MRXNPFEDSA-N 0 0 451.476 4.510 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC001461452781 1067860408 /nfs/dbraw/zinc/86/04/08/1067860408.db2.gz XOKGXLSQRRYOPA-GOSISDBHSA-N 0 0 454.458 4.529 20 5 JJBDRN O=[N+]([O-])c1cc(CNCc2cccc(F)c2I)cc(C(F)(F)F)c1 ZINC001461486099 1067872691 /nfs/dbraw/zinc/87/26/91/1067872691.db2.gz PFQMLUDIUBGTBR-UHFFFAOYSA-N 0 0 454.161 4.647 20 5 JJBDRN CC[C@H](C)NC(=O)c1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001461560840 1067888475 /nfs/dbraw/zinc/88/84/75/1067888475.db2.gz XSCBMPFZAZSPDZ-ZDUSSCGKSA-N 0 0 455.433 4.685 20 5 JJBDRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC001461637920 1067907366 /nfs/dbraw/zinc/90/73/66/1067907366.db2.gz NXQKWFRFVIKGIM-UHFFFAOYSA-N 0 0 455.446 4.543 20 5 JJBDRN O=C(Nc1ccn(C2CCOCC2)n1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001461640931 1067908161 /nfs/dbraw/zinc/90/81/61/1067908161.db2.gz CHAGOORZCASECQ-UHFFFAOYSA-N 0 0 455.902 4.661 20 5 JJBDRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001461686092 1067918272 /nfs/dbraw/zinc/91/82/72/1067918272.db2.gz MVMBNGZQPDNTCC-DHIUTWEWSA-N 0 0 472.545 4.678 20 5 JJBDRN C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001461724569 1067925971 /nfs/dbraw/zinc/92/59/71/1067925971.db2.gz XMNOLJLEFHKQJI-NRFANRHFSA-N 0 0 459.546 4.705 20 5 JJBDRN COc1cc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461726623 1067926681 /nfs/dbraw/zinc/92/66/81/1067926681.db2.gz DBDIJCAYSCSEKN-SFTDATJTSA-N 0 0 453.520 4.561 20 5 JJBDRN Cn1cc(C(=O)Oc2ccc3cccnc3c2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001461787787 1067937165 /nfs/dbraw/zinc/93/71/65/1067937165.db2.gz BQPYVJKIHUSWDY-UHFFFAOYSA-N 0 0 453.252 4.525 20 5 JJBDRN Cc1c(C(=O)N2CCc3cc(Br)c(Br)cc3C2)cccc1[N+](=O)[O-] ZINC001461803470 1067939725 /nfs/dbraw/zinc/93/97/25/1067939725.db2.gz GYRMMZHFTGYRFE-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN CC1(C)C=Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3I)c2O1 ZINC001461894867 1067956669 /nfs/dbraw/zinc/95/66/69/1067956669.db2.gz YYESSARQAWRUEV-UHFFFAOYSA-N 0 0 450.232 4.636 20 5 JJBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001461920846 1067961529 /nfs/dbraw/zinc/96/15/29/1067961529.db2.gz NBMAHEGVOPDMEL-LJLZWOEMSA-N 0 0 457.958 4.572 20 5 JJBDRN Cc1ccc(-c2noc(CCC(=O)O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)n2)cc1F ZINC001461945721 1067966390 /nfs/dbraw/zinc/96/63/90/1067966390.db2.gz IZJCFLNXSWRNHW-SFHVURJKSA-N 0 0 453.348 4.872 20 5 JJBDRN Cc1ccc(-c2noc(CCC(=O)O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)n2)cc1F ZINC001461945696 1067966418 /nfs/dbraw/zinc/96/64/18/1067966418.db2.gz IZJCFLNXSWRNHW-GOSISDBHSA-N 0 0 453.348 4.872 20 5 JJBDRN COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)Cc2ccccc21 ZINC001461982098 1067974389 /nfs/dbraw/zinc/97/43/89/1067974389.db2.gz WCJPWGYWCYRVFS-OAQYLSRUSA-N 0 0 454.548 4.790 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001461997981 1067977507 /nfs/dbraw/zinc/97/75/07/1067977507.db2.gz QVGKTGGYPJHRCY-QGZVFWFLSA-N 0 0 453.442 4.758 20 5 JJBDRN Cc1csc(CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])c2nc3ccccc3s2)n1 ZINC001462073334 1067996780 /nfs/dbraw/zinc/99/67/80/1067996780.db2.gz RXBMKAWBIJRQMW-UHFFFAOYSA-N 0 0 453.549 4.639 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCO[C@H]1C ZINC001462118602 1068007721 /nfs/dbraw/zinc/00/77/21/1068007721.db2.gz PVNFRUBGPFXPIQ-ORAYPTAESA-N 0 0 451.292 4.937 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCO[C@@H]1C ZINC001462118607 1068007734 /nfs/dbraw/zinc/00/77/34/1068007734.db2.gz PVNFRUBGPFXPIQ-YJYMSZOUSA-N 0 0 451.292 4.937 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC2COC(C)(C)OC2)CCCC1 ZINC001546130771 1068050121 /nfs/dbraw/zinc/05/01/21/1068050121.db2.gz CKPNSPYBTRNVDL-UHFFFAOYSA-N 0 0 457.575 4.659 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C(C)C)C2)CCOCC1 ZINC001546130810 1068050795 /nfs/dbraw/zinc/05/07/95/1068050795.db2.gz FBAAMOBFNHBWEX-FQEVSTJZSA-N 0 0 459.616 4.638 20 5 JJBDRN COc1ccc(OC)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)nc21 ZINC001462361470 1068059820 /nfs/dbraw/zinc/05/98/20/1068059820.db2.gz NGZCRNLDLFMPFL-UHFFFAOYSA-N 0 0 456.524 4.710 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1 ZINC001546131414 1068068059 /nfs/dbraw/zinc/06/80/59/1068068059.db2.gz ZGJRXXZGIKURRM-LJQANCHMSA-N 0 0 497.518 4.608 20 5 JJBDRN COc1cccc(C(=O)Oc2cc(C(C)(C)C)ccc2I)c1[N+](=O)[O-] ZINC001462489545 1068083786 /nfs/dbraw/zinc/08/37/86/1068083786.db2.gz IWJYMGHURXHARZ-UHFFFAOYSA-N 0 0 455.248 4.725 20 5 JJBDRN O=C(NCCc1cnc2ccccc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001462659743 1068126426 /nfs/dbraw/zinc/12/64/26/1068126426.db2.gz GYNMXIBDKVTDIL-UHFFFAOYSA-N 0 0 456.289 4.608 20 5 JJBDRN O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001462696177 1068134055 /nfs/dbraw/zinc/13/40/55/1068134055.db2.gz SATAMRMZQDROGV-UHFFFAOYSA-N 0 0 452.271 4.900 20 5 JJBDRN Cc1ccc(F)c(S(=O)(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)c1 ZINC001462697477 1068134688 /nfs/dbraw/zinc/13/46/88/1068134688.db2.gz SQFXUUDVWCITGQ-UHFFFAOYSA-N 0 0 455.419 4.583 20 5 JJBDRN C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)c1ccc([N+](=O)[O-])cc1 ZINC001462736110 1068148948 /nfs/dbraw/zinc/14/89/48/1068148948.db2.gz ULQIVKZUMUXFGP-SNVBAGLBSA-N 0 0 456.236 4.608 20 5 JJBDRN Cc1cnn(-c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)cc2F)c1 ZINC001462774578 1068163589 /nfs/dbraw/zinc/16/35/89/1068163589.db2.gz QYGOVZSGYSAGMW-UHFFFAOYSA-N 0 0 459.480 4.724 20 5 JJBDRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc21 ZINC001462798780 1068170584 /nfs/dbraw/zinc/17/05/84/1068170584.db2.gz XPEZLQNSRRIOJQ-UHFFFAOYSA-N 0 0 453.856 4.556 20 5 JJBDRN CC(C)c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001462810423 1068173326 /nfs/dbraw/zinc/17/33/26/1068173326.db2.gz UMDDMUWHZPQDIW-UHFFFAOYSA-N 0 0 457.321 4.761 20 5 JJBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001462881489 1068201650 /nfs/dbraw/zinc/20/16/50/1068201650.db2.gz XPKXXDNPWFBVJO-KRWDZBQOSA-N 0 0 452.319 4.976 20 5 JJBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001462881496 1068201723 /nfs/dbraw/zinc/20/17/23/1068201723.db2.gz XPKXXDNPWFBVJO-QGZVFWFLSA-N 0 0 452.319 4.976 20 5 JJBDRN CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001462927300 1068217080 /nfs/dbraw/zinc/21/70/80/1068217080.db2.gz MZGHTJNSXOPTDG-ZDUSSCGKSA-N 0 0 457.346 4.528 20 5 JJBDRN CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001462927298 1068217121 /nfs/dbraw/zinc/21/71/21/1068217121.db2.gz MZGHTJNSXOPTDG-CYBMUJFWSA-N 0 0 457.346 4.528 20 5 JJBDRN CC(C)(C)OC(=O)[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC001462953724 1068227461 /nfs/dbraw/zinc/22/74/61/1068227461.db2.gz QDYWVSKGUQIYLA-GOSISDBHSA-N 0 0 457.483 4.670 20 5 JJBDRN COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001462955915 1068228778 /nfs/dbraw/zinc/22/87/78/1068228778.db2.gz YCLHCMUNEMTJFQ-IBGZPJMESA-N 0 0 454.548 4.567 20 5 JJBDRN Cc1nc(-c2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)cs1 ZINC001462958709 1068230079 /nfs/dbraw/zinc/23/00/79/1068230079.db2.gz LZDLIVJTTPBDHC-UHFFFAOYSA-N 0 0 457.455 4.524 20 5 JJBDRN Cc1cccc(COc2ccc([C@@H](C)NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2)c1 ZINC001463007799 1068248143 /nfs/dbraw/zinc/24/81/43/1068248143.db2.gz KZCCWQLSDITQEJ-QGZVFWFLSA-N 0 0 458.511 4.969 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(Br)c(Br)c1 ZINC001463021721 1068255080 /nfs/dbraw/zinc/25/50/80/1068255080.db2.gz OJQAVECXOIGILW-UHFFFAOYSA-N 0 0 456.134 4.975 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c(Br)c1 ZINC001463052657 1068266956 /nfs/dbraw/zinc/26/69/56/1068266956.db2.gz FMSLPBLOBMNTAV-QGZVFWFLSA-N 0 0 459.749 4.830 20 5 JJBDRN CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001463061778 1068270956 /nfs/dbraw/zinc/27/09/56/1068270956.db2.gz DBAOGQXNUTVTQW-HBMCJLEFSA-N 0 0 457.571 4.774 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001463065518 1068273366 /nfs/dbraw/zinc/27/33/66/1068273366.db2.gz LPLJBWHVTZNMHF-RBZFPXEDSA-N 0 0 457.449 4.523 20 5 JJBDRN CN(Cc1c(OCc2ccccc2)ccc2ccccc21)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001463076365 1068278544 /nfs/dbraw/zinc/27/85/44/1068278544.db2.gz IVNUTHNOSWTHGK-UHFFFAOYSA-N 0 0 458.518 4.917 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC001463078612 1068280076 /nfs/dbraw/zinc/28/00/76/1068280076.db2.gz UFGQNEKOXQCZAZ-UHFFFAOYSA-N 0 0 458.518 4.881 20 5 JJBDRN C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001463084305 1068281830 /nfs/dbraw/zinc/28/18/30/1068281830.db2.gz FCSWYTYLSXGZHE-LGFNAOKASA-N 0 0 459.749 4.686 20 5 JJBDRN C[C@H](CNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001463085691 1068281940 /nfs/dbraw/zinc/28/19/40/1068281940.db2.gz GQFAKDAOUKBXCT-CYBMUJFWSA-N 0 0 459.428 4.605 20 5 JJBDRN C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463083868 1068281959 /nfs/dbraw/zinc/28/19/59/1068281959.db2.gz CAPRMNHLNNGRMT-YKJXYISPSA-N 0 0 459.749 4.686 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)c1ccc(Br)cc1 ZINC001463095053 1068284704 /nfs/dbraw/zinc/28/47/04/1068284704.db2.gz QXBHKNXJFBAHJO-SNVBAGLBSA-N 0 0 456.134 4.962 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)c(OCC(C)C)c2)cc1[N+](=O)[O-] ZINC001463151787 1068304834 /nfs/dbraw/zinc/30/48/34/1068304834.db2.gz RPVXCASGVOMZRM-UHFFFAOYSA-N 0 0 452.261 4.861 20 5 JJBDRN O=[N+]([O-])c1ccc(CN(c2ccccc2)S(=O)(=O)C2(COCc3ccccc3)CC2)cc1 ZINC001463186298 1068313375 /nfs/dbraw/zinc/31/33/75/1068313375.db2.gz OXHGVGYGEBOTQU-UHFFFAOYSA-N 0 0 452.532 4.681 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001463254739 1068336326 /nfs/dbraw/zinc/33/63/26/1068336326.db2.gz GTVWYHPFKUDROG-QHCPKHFHSA-N 0 0 457.527 4.800 20 5 JJBDRN CC(C)(C)c1coc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC001463307347 1068351071 /nfs/dbraw/zinc/35/10/71/1068351071.db2.gz HSIDXYLLGJAJOJ-UHFFFAOYSA-N 0 0 459.506 4.592 20 5 JJBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC3(CCCC3)c3cc(Br)ccc32)c1 ZINC001463310365 1068352268 /nfs/dbraw/zinc/35/22/68/1068352268.db2.gz WNTWVTFBXOHSGJ-UHFFFAOYSA-N 0 0 451.342 4.519 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC001463327499 1068357440 /nfs/dbraw/zinc/35/74/40/1068357440.db2.gz LSWRLZFEVZQHRS-QHCPKHFHSA-N 0 0 452.532 4.709 20 5 JJBDRN Cc1ccc(OS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)cc1[N+](=O)[O-] ZINC001463350218 1068367381 /nfs/dbraw/zinc/36/73/81/1068367381.db2.gz UQJBJJDVXVKUDN-UHFFFAOYSA-N 0 0 455.311 4.557 20 5 JJBDRN COc1ccc(Oc2ccc(CCNS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)cc1 ZINC001463350037 1068367648 /nfs/dbraw/zinc/36/76/48/1068367648.db2.gz KWIWOSZNJHIEOT-UHFFFAOYSA-N 0 0 456.520 4.534 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001463402043 1068385589 /nfs/dbraw/zinc/38/55/89/1068385589.db2.gz XJODTXZXALLESN-NFBKMPQASA-N 0 0 452.532 4.743 20 5 JJBDRN CCCc1c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)nnn1Cc1cccc(Br)c1 ZINC001463416014 1068391055 /nfs/dbraw/zinc/39/10/55/1068391055.db2.gz YMDRRJONAZXAPC-UHFFFAOYSA-N 0 0 458.316 4.510 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001463477149 1068414424 /nfs/dbraw/zinc/41/44/24/1068414424.db2.gz QNHNLLATSFAWEJ-BLLLJJGKSA-N 0 0 464.305 4.510 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1C ZINC001463502617 1068421058 /nfs/dbraw/zinc/42/10/58/1068421058.db2.gz IAILWBUPKJYKSH-IBGZPJMESA-N 0 0 456.524 4.568 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001463505330 1068421877 /nfs/dbraw/zinc/42/18/77/1068421877.db2.gz OYSHDIRLYOWPRY-NSHDSACASA-N 0 0 452.813 4.584 20 5 JJBDRN CCc1ccc(S(=O)(=O)N(C)[C@@H](CC)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC001463551381 1068438965 /nfs/dbraw/zinc/43/89/65/1068438965.db2.gz GHDVPDQFHYGILV-INIZCTEOSA-N 0 0 455.374 4.562 20 5 JJBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC001463556811 1068440174 /nfs/dbraw/zinc/44/01/74/1068440174.db2.gz JQUAOVKVFJILQD-UHFFFAOYSA-N 0 0 453.564 4.611 20 5 JJBDRN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1Cl ZINC001463564178 1068445990 /nfs/dbraw/zinc/44/59/90/1068445990.db2.gz XXCQXMQZSMECQI-QHCPKHFHSA-N 0 0 452.942 4.893 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC001463572942 1068451864 /nfs/dbraw/zinc/45/18/64/1068451864.db2.gz MRGUZBKPRVNMKX-KRWDZBQOSA-N 0 0 453.358 4.755 20 5 JJBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC001463588889 1068458197 /nfs/dbraw/zinc/45/81/97/1068458197.db2.gz RUWRYEINGVWNBS-UHFFFAOYSA-N 0 0 459.749 4.579 20 5 JJBDRN CN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001463621005 1068469377 /nfs/dbraw/zinc/46/93/77/1068469377.db2.gz OKEYBKYFHNHHPX-UHFFFAOYSA-N 0 0 457.274 4.994 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001463641557 1068478861 /nfs/dbraw/zinc/47/88/61/1068478861.db2.gz QTAFNFKHMMTIRN-MRXNPFEDSA-N 0 0 458.458 4.928 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cc(Br)cc(C(F)(F)F)c2)c1C ZINC001463820774 1068535809 /nfs/dbraw/zinc/53/58/09/1068535809.db2.gz OCHUFKRRQKZXMQ-UHFFFAOYSA-N 0 0 454.220 4.761 20 5 JJBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cc(F)c(Cl)cc1Cl ZINC001463827836 1068539422 /nfs/dbraw/zinc/53/94/22/1068539422.db2.gz MZAJNBSAGXNVJD-ZCFIWIBFSA-N 0 0 451.079 4.876 20 5 JJBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)c1cc(F)c(Cl)cc1Cl ZINC001463827833 1068539459 /nfs/dbraw/zinc/53/94/59/1068539459.db2.gz MZAJNBSAGXNVJD-LURJTMIESA-N 0 0 451.079 4.876 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001463884721 1068555578 /nfs/dbraw/zinc/55/55/78/1068555578.db2.gz ZOACXQKCWXHLPH-SFHVURJKSA-N 0 0 453.520 4.603 20 5 JJBDRN CCc1cc(Br)cc2c1N(S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CCC2 ZINC001463932124 1068569141 /nfs/dbraw/zinc/56/91/41/1068569141.db2.gz VDWOWUKWXLHDGG-UHFFFAOYSA-N 0 0 453.358 4.678 20 5 JJBDRN Cc1cccc(C)c1CN(CC(C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463940005 1068571205 /nfs/dbraw/zinc/57/12/05/1068571205.db2.gz FBMICJWPZJRXKM-UHFFFAOYSA-N 0 0 455.374 4.821 20 5 JJBDRN CCOc1cc(CN(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1OC(F)F ZINC001463973633 1068579014 /nfs/dbraw/zinc/57/90/14/1068579014.db2.gz BACMFTWTGSUHIC-UHFFFAOYSA-N 0 0 452.457 4.954 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cnc3c(ccc(Cl)c3Cl)c2)c2ncccc12 ZINC001464004749 1068586667 /nfs/dbraw/zinc/58/66/67/1068586667.db2.gz XVGDEJVWBKLQDW-UHFFFAOYSA-N 0 0 450.259 4.766 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001464098011 1068614671 /nfs/dbraw/zinc/61/46/71/1068614671.db2.gz PHOBTFLQQRMNDQ-UHFFFAOYSA-N 0 0 450.495 4.937 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001464138863 1068630977 /nfs/dbraw/zinc/63/09/77/1068630977.db2.gz HJYWYSBRRWKRAE-UHFFFAOYSA-N 0 0 459.568 4.794 20 5 JJBDRN CCC(CC)(CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001464141344 1068631794 /nfs/dbraw/zinc/63/17/94/1068631794.db2.gz JKXKCNSHEZUGJO-UHFFFAOYSA-N 0 0 459.337 4.533 20 5 JJBDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001464190825 1068649546 /nfs/dbraw/zinc/64/95/46/1068649546.db2.gz ZJJAZXZUFKJVHR-UHFFFAOYSA-N 0 0 453.326 4.581 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1csc2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001464198308 1068652783 /nfs/dbraw/zinc/65/27/83/1068652783.db2.gz ODXZPIIBPUDADE-HSZRJFAPSA-N 0 0 455.536 4.866 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC001464218820 1068661653 /nfs/dbraw/zinc/66/16/53/1068661653.db2.gz VAVMCZGAVNQNKR-UHFFFAOYSA-N 0 0 451.389 4.627 20 5 JJBDRN Cc1cc(Br)ccc1[C@@H]1CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001464240059 1068670707 /nfs/dbraw/zinc/67/07/07/1068670707.db2.gz PUMLYVDOMMGWTL-KRWDZBQOSA-N 0 0 453.358 4.808 20 5 JJBDRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464241665 1068671938 /nfs/dbraw/zinc/67/19/38/1068671938.db2.gz UUNWGGNXHUTARL-WCQYABFASA-N 0 0 459.749 4.577 20 5 JJBDRN COc1cc([C@@H](C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)ccc1OC1CCCC1 ZINC001464245904 1068674175 /nfs/dbraw/zinc/67/41/75/1068674175.db2.gz XPIJHUZJYNADCI-LLVKDONJSA-N 0 0 451.882 4.791 20 5 JJBDRN Cc1ccc(C)c(SCC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001464290763 1068693385 /nfs/dbraw/zinc/69/33/85/1068693385.db2.gz QOKFCKODHWEKGP-HXUWFJFHSA-N 0 0 456.564 4.932 20 5 JJBDRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464291969 1068694187 /nfs/dbraw/zinc/69/41/87/1068694187.db2.gz RZAZBDBHACBAED-NZQKXSOJSA-N 0 0 454.523 4.689 20 5 JJBDRN O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001464316049 1068702299 /nfs/dbraw/zinc/70/22/99/1068702299.db2.gz HZYQZMKSAVYEQF-UHFFFAOYSA-N 0 0 455.290 4.751 20 5 JJBDRN COCCOc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1Cl ZINC001464405489 1068735125 /nfs/dbraw/zinc/73/51/25/1068735125.db2.gz XBHGBSADUJBWLT-UHFFFAOYSA-N 0 0 458.848 4.890 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001464549137 1068778947 /nfs/dbraw/zinc/77/89/47/1068778947.db2.gz XRCKQLQTSVPJMW-GOSISDBHSA-N 0 0 451.951 4.808 20 5 JJBDRN COCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001464553269 1068779710 /nfs/dbraw/zinc/77/97/10/1068779710.db2.gz QPJOHDRCTGBXQH-OAHLLOKOSA-N 0 0 452.429 4.813 20 5 JJBDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001464629444 1068803649 /nfs/dbraw/zinc/80/36/49/1068803649.db2.gz KXZZYABTZKMIDD-LJQANCHMSA-N 0 0 458.312 4.753 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c2ccc(C(F)(F)F)cc2)cc1 ZINC001546148772 1068827533 /nfs/dbraw/zinc/82/75/33/1068827533.db2.gz FZFUHEAZFUJYBY-HNNXBMFYSA-N 0 0 454.792 4.518 20 5 JJBDRN COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001464709952 1068834045 /nfs/dbraw/zinc/83/40/45/1068834045.db2.gz QVLNLQMJGKIALM-SFHVURJKSA-N 0 0 457.596 4.998 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001464715977 1068836038 /nfs/dbraw/zinc/83/60/38/1068836038.db2.gz BHKVKSZTGCCEKY-UHFFFAOYSA-N 0 0 458.883 4.773 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164663929 719349779 /nfs/dbraw/zinc/34/97/79/719349779.db2.gz PHYOFEDBEXTMNJ-UHFFFAOYSA-N 0 0 468.561 4.838 20 5 JJBDRN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694569 719891172 /nfs/dbraw/zinc/89/11/72/719891172.db2.gz AELDPFNMINPOLY-UHFFFAOYSA-N 0 0 458.971 4.729 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cnc1Cl ZINC001164822194 720393760 /nfs/dbraw/zinc/39/37/60/720393760.db2.gz KMCANCHECCZSJS-SFHVURJKSA-N 0 0 458.843 4.930 20 5 JJBDRN CCN1CC[C@]2(CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]2C)C1=O ZINC001164777276 721323446 /nfs/dbraw/zinc/32/34/46/721323446.db2.gz JIQYEVYIKRPHPY-LHSJRXKWSA-N 0 0 464.900 4.550 20 5 JJBDRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccsc1 ZINC001164882808 721360222 /nfs/dbraw/zinc/36/02/22/721360222.db2.gz LHEURPSJNDJTQR-ROUUACIJSA-N 0 0 491.907 4.696 20 5 JJBDRN Cc1ccc(-c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)cc1[N+](=O)[O-] ZINC001164909030 721759371 /nfs/dbraw/zinc/75/93/71/721759371.db2.gz DBLAPPQAWNWZLN-UHFFFAOYSA-N 0 0 470.533 4.543 20 5 JJBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@@H]21 ZINC001164956749 722049273 /nfs/dbraw/zinc/04/92/73/722049273.db2.gz CPQBLBGXTNOPAX-BEFAXECRSA-N 0 0 488.878 4.799 20 5 JJBDRN CC(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)CC1 ZINC001359739563 1064307723 /nfs/dbraw/zinc/30/77/23/1064307723.db2.gz XFRTZBJKBZHYGC-UHFFFAOYSA-N 0 0 468.602 4.518 20 5 JJBDRN COc1cc(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1C ZINC001434878671 1064311584 /nfs/dbraw/zinc/31/15/84/1064311584.db2.gz KYSWEQMKIYGZSQ-UHFFFAOYSA-N 0 0 450.516 4.795 20 5 JJBDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2(C)C)CCS1 ZINC001359746151 1064322641 /nfs/dbraw/zinc/32/26/41/1064322641.db2.gz AHIVHTMDOSLVRS-HKUYNNGSSA-N 0 0 461.657 4.963 20 5 JJBDRN CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2(C)C)CCS1 ZINC001359746153 1064322883 /nfs/dbraw/zinc/32/28/83/1064322883.db2.gz AHIVHTMDOSLVRS-MJGOQNOKSA-N 0 0 461.657 4.963 20 5 JJBDRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC001434910291 1064336216 /nfs/dbraw/zinc/33/62/16/1064336216.db2.gz AHGCHQYXOOIUKI-NRFANRHFSA-N 0 0 450.491 4.643 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 ZINC001434915582 1064342864 /nfs/dbraw/zinc/34/28/64/1064342864.db2.gz NCGVOGFAZNGNOJ-FQEVSTJZSA-N 0 0 452.555 4.535 20 5 JJBDRN CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)c1ccc2c(c1)OCO2 ZINC001434943103 1064364963 /nfs/dbraw/zinc/36/49/63/1064364963.db2.gz IOPITLYUSCHSEF-UHFFFAOYSA-N 0 0 453.417 4.538 20 5 JJBDRN CCCC[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950967 1064372854 /nfs/dbraw/zinc/37/28/54/1064372854.db2.gz YTHAQGQZOTUWHX-WZONZLPQSA-N 0 0 452.555 4.612 20 5 JJBDRN CCOc1cc2c(cc1OCC)CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001434951305 1064372862 /nfs/dbraw/zinc/37/28/62/1064372862.db2.gz BTEVDRDTVKPYEN-UHFFFAOYSA-N 0 0 450.944 4.723 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001359762004 1064373751 /nfs/dbraw/zinc/37/37/51/1064373751.db2.gz OTSTZWQOCAGTEC-XPNTWCBSSA-N 0 0 471.602 4.556 20 5 JJBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001434973432 1064387993 /nfs/dbraw/zinc/38/79/93/1064387993.db2.gz IZFZFTAGJNZROK-GOSISDBHSA-N 0 0 459.713 4.860 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)NCc3ccc(OCC4CC4)nc3)cc2[N+](=O)[O-])n1 ZINC001434986828 1064402807 /nfs/dbraw/zinc/40/28/07/1064402807.db2.gz KPUKZEVMAXSIHO-UHFFFAOYSA-N 0 0 456.549 4.625 20 5 JJBDRN Cc1c(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001435007254 1064422669 /nfs/dbraw/zinc/42/26/69/1064422669.db2.gz RZLWCOKSENJDGH-UHFFFAOYSA-N 0 0 453.426 4.768 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001435014530 1064431680 /nfs/dbraw/zinc/43/16/80/1064431680.db2.gz FSBKFONCYXSZFP-UHFFFAOYSA-N 0 0 455.467 4.761 20 5 JJBDRN CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@]1(C)OCCc2sccc21 ZINC001359781900 1064433198 /nfs/dbraw/zinc/43/31/98/1064433198.db2.gz YKEPAVHCTKFPDI-HSZRJFAPSA-N 0 0 455.584 4.571 20 5 JJBDRN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)cc1 ZINC001435022151 1064440401 /nfs/dbraw/zinc/44/04/01/1064440401.db2.gz WSEORKIAIPRKMV-GOSISDBHSA-N 0 0 452.482 4.748 20 5 JJBDRN Cc1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001435038512 1064454717 /nfs/dbraw/zinc/45/47/17/1064454717.db2.gz UZLPXQVEGSJSPW-UHFFFAOYSA-N 0 0 457.277 4.834 20 5 JJBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])cc2)c1 ZINC001435052263 1064471200 /nfs/dbraw/zinc/47/12/00/1064471200.db2.gz GPQNUYYLMRAZPP-UHFFFAOYSA-N 0 0 454.442 4.800 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC(C)(C)c1ccccc1F ZINC001359811237 1064486732 /nfs/dbraw/zinc/48/67/32/1064486732.db2.gz HORVIVCXYDEETR-UHFFFAOYSA-N 0 0 469.565 4.540 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCSc1ccccc1 ZINC001359812990 1064490461 /nfs/dbraw/zinc/49/04/61/1064490461.db2.gz VBNIFNULRIJHCG-UHFFFAOYSA-N 0 0 469.615 4.605 20 5 JJBDRN COc1ccccc1SC[C@@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435094319 1064510207 /nfs/dbraw/zinc/51/02/07/1064510207.db2.gz FHUUBKNFYXOSBS-ZDUSSCGKSA-N 0 0 458.458 4.703 20 5 JJBDRN COCCSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 ZINC001435106763 1064516782 /nfs/dbraw/zinc/51/67/82/1064516782.db2.gz POEPYXRERWVDOF-ZDUSSCGKSA-N 0 0 453.358 4.895 20 5 JJBDRN CC(C)c1ccc(C2(CNC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])CCCC2)cc1 ZINC001435115239 1064523067 /nfs/dbraw/zinc/52/30/67/1064523067.db2.gz APIDDKWFZJVNAV-UHFFFAOYSA-N 0 0 455.580 4.537 20 5 JJBDRN CP(C)(=O)c1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC001435118109 1064525423 /nfs/dbraw/zinc/52/54/23/1064525423.db2.gz FPRGGSCDGIKLPI-UHFFFAOYSA-N 0 0 450.391 4.541 20 5 JJBDRN CC(C)(C)Cc1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 ZINC001359839107 1064525815 /nfs/dbraw/zinc/52/58/15/1064525815.db2.gz HGRCWCRWOSXRBP-UHFFFAOYSA-N 0 0 456.490 4.621 20 5 JJBDRN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001359839787 1064526490 /nfs/dbraw/zinc/52/64/90/1064526490.db2.gz OSQNRBGKKKAHIT-DLBZAZTESA-N 0 0 453.848 4.719 20 5 JJBDRN COc1cc(CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC ZINC001435124498 1064530356 /nfs/dbraw/zinc/53/03/56/1064530356.db2.gz JAVMUAHTZDVBQQ-UHFFFAOYSA-N 0 0 452.463 4.984 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001359852096 1064539531 /nfs/dbraw/zinc/53/95/31/1064539531.db2.gz KCOCWGZVXQUNNZ-RDPSFJRHSA-N 0 0 484.645 4.553 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359852383 1064539578 /nfs/dbraw/zinc/53/95/78/1064539578.db2.gz MNRCZVPPLCXYCE-NFBKMPQASA-N 0 0 498.672 4.941 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCS[C@@H](C)[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC001435162230 1064557906 /nfs/dbraw/zinc/55/79/06/1064557906.db2.gz FFHQEVOOVFPJBQ-FDDCHVKYSA-N 0 0 450.564 4.775 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCS[C@H](C)[C@@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC001435162237 1064558490 /nfs/dbraw/zinc/55/84/90/1064558490.db2.gz FFHQEVOOVFPJBQ-WZONZLPQSA-N 0 0 450.564 4.775 20 5 JJBDRN CC(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC001435167993 1064563582 /nfs/dbraw/zinc/56/35/82/1064563582.db2.gz JOFRDWJIZBZEGL-UHFFFAOYSA-N 0 0 454.527 4.718 20 5 JJBDRN Cc1nc2ccccc2n1Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001435175873 1064569560 /nfs/dbraw/zinc/56/95/60/1064569560.db2.gz ZEYAMJIMSUXQGX-UHFFFAOYSA-N 0 0 450.882 4.972 20 5 JJBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 ZINC001435178483 1064570986 /nfs/dbraw/zinc/57/09/86/1064570986.db2.gz GHZFLCJJFMXLJU-FQEVSTJZSA-N 0 0 459.271 4.933 20 5 JJBDRN C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435182186 1064573129 /nfs/dbraw/zinc/57/31/29/1064573129.db2.gz CKEZTDXFNDWTDG-HOTGVXAUSA-N 0 0 450.520 4.600 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001435187933 1064577238 /nfs/dbraw/zinc/57/72/38/1064577238.db2.gz ZLAKJNTXCXCTNM-CQSZACIVSA-N 0 0 453.520 4.987 20 5 JJBDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359890087 1064588901 /nfs/dbraw/zinc/58/89/01/1064588901.db2.gz RLZJDKPYIPYLRJ-LAUBAEHRSA-N 0 0 469.508 4.819 20 5 JJBDRN COc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1cscn1 ZINC001435203565 1064589595 /nfs/dbraw/zinc/58/95/95/1064589595.db2.gz UKMKEPDNBOGUGC-NRFANRHFSA-N 0 0 457.533 4.527 20 5 JJBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435203404 1064589731 /nfs/dbraw/zinc/58/97/31/1064589731.db2.gz RDMXLURSZLMIDE-OAQYLSRUSA-N 0 0 459.524 4.966 20 5 JJBDRN COc1cc(Cl)c(Br)cc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435203594 1064589998 /nfs/dbraw/zinc/58/99/98/1064589998.db2.gz VLIFMYLXBJQWBR-KRWDZBQOSA-N 0 0 457.733 4.907 20 5 JJBDRN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435222181 1064603295 /nfs/dbraw/zinc/60/32/95/1064603295.db2.gz SISONVHPRWDXKX-MLGOLLRUSA-N 0 0 459.337 4.586 20 5 JJBDRN COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc([N+](=O)[O-])c1 ZINC001435238001 1064618101 /nfs/dbraw/zinc/61/81/01/1064618101.db2.gz WFTMRQRIWQTZCL-HNNXBMFYSA-N 0 0 453.520 4.955 20 5 JJBDRN CC(=O)N1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc21 ZINC001435298009 1064673663 /nfs/dbraw/zinc/67/36/63/1064673663.db2.gz RJNRTKZITLEHAM-QGZVFWFLSA-N 0 0 459.506 4.566 20 5 JJBDRN COc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435299276 1064674493 /nfs/dbraw/zinc/67/44/93/1064674493.db2.gz XBQIMCSCTHZPMY-OAHLLOKOSA-N 0 0 456.445 4.994 20 5 JJBDRN Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC001435300773 1064676005 /nfs/dbraw/zinc/67/60/05/1064676005.db2.gz KEWXAGDPWSGGQJ-UHFFFAOYSA-N 0 0 459.531 4.809 20 5 JJBDRN CC(C)(C)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC001435320883 1064695093 /nfs/dbraw/zinc/69/50/93/1064695093.db2.gz CUHFYDPXCSJDQI-UHFFFAOYSA-N 0 0 452.248 4.681 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001435323782 1064696552 /nfs/dbraw/zinc/69/65/52/1064696552.db2.gz OTPQLQCCFWXRGA-ASGFDNPXSA-N 0 0 455.942 4.828 20 5 JJBDRN COC(=O)C(C)(C)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001435331391 1064702698 /nfs/dbraw/zinc/70/26/98/1064702698.db2.gz WWIJLOCVCNMSGY-UHFFFAOYSA-N 0 0 456.442 4.795 20 5 JJBDRN C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC001435345475 1064713355 /nfs/dbraw/zinc/71/33/55/1064713355.db2.gz JCMUKKILTIAMBN-NSHDSACASA-N 0 0 459.749 4.687 20 5 JJBDRN COc1ccc(-c2nc(C)c(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC001435358100 1064722868 /nfs/dbraw/zinc/72/28/68/1064722868.db2.gz HLSNJPJPCHNWEC-UHFFFAOYSA-N 0 0 455.536 4.797 20 5 JJBDRN COc1cc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC001435378680 1064730478 /nfs/dbraw/zinc/73/04/78/1064730478.db2.gz ZNGPQGCEEXMBND-QGZVFWFLSA-N 0 0 459.502 4.884 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC001435384502 1064732844 /nfs/dbraw/zinc/73/28/44/1064732844.db2.gz HHZMDMHVYUZTOV-OAHLLOKOSA-N 0 0 458.902 4.695 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC001435447645 1064763082 /nfs/dbraw/zinc/76/30/82/1064763082.db2.gz LCBFTQWAGQYMSV-UHFFFAOYSA-N 0 0 459.911 4.647 20 5 JJBDRN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC001435460476 1064769745 /nfs/dbraw/zinc/76/97/45/1064769745.db2.gz RYOOQRVPZBIXKF-KRWDZBQOSA-N 0 0 455.555 4.678 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001435483567 1064783714 /nfs/dbraw/zinc/78/37/14/1064783714.db2.gz IEMCIGPKORFJBE-UHFFFAOYSA-N 0 0 453.568 4.979 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)Nc3ccccc3O[C@@H]3CCOC3)cc2[N+](=O)[O-])n1 ZINC001435494418 1064788661 /nfs/dbraw/zinc/78/86/61/1064788661.db2.gz ZGACICQHQZPDLR-OAHLLOKOSA-N 0 0 457.533 4.931 20 5 JJBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001435495352 1064788873 /nfs/dbraw/zinc/78/88/73/1064788873.db2.gz VRVHPDXLKFAWBJ-GFCCVEGCSA-N 0 0 450.358 4.712 20 5 JJBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001435495353 1064789142 /nfs/dbraw/zinc/78/91/42/1064789142.db2.gz VRVHPDXLKFAWBJ-LBPRGKRZSA-N 0 0 450.358 4.712 20 5 JJBDRN COc1cc(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc([N+](=O)[O-])c1C ZINC001360005098 1064792242 /nfs/dbraw/zinc/79/22/42/1064792242.db2.gz ATAMJWSJYJAZLO-HNNXBMFYSA-N 0 0 451.342 4.983 20 5 JJBDRN COc1ccccc1[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccco1 ZINC001435502720 1064792393 /nfs/dbraw/zinc/79/23/93/1064792393.db2.gz XZCBPWSMMQWKNP-IBGZPJMESA-N 0 0 450.369 4.657 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001435548785 1064822974 /nfs/dbraw/zinc/82/29/74/1064822974.db2.gz LPFHLZYJCIRIKL-ZMYBRWDISA-N 0 0 451.951 4.823 20 5 JJBDRN Cc1cc(-c2noc([C@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F ZINC001435550726 1064824582 /nfs/dbraw/zinc/82/45/82/1064824582.db2.gz NXNKNRLXJLBFAH-NSHDSACASA-N 0 0 450.879 4.715 20 5 JJBDRN O=C(NCCCc1ccc2c(c1)OCCO2)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001435551251 1064824642 /nfs/dbraw/zinc/82/46/42/1064824642.db2.gz JBUCDLIDHCSZMU-UHFFFAOYSA-N 0 0 450.516 4.880 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435608089 1064871138 /nfs/dbraw/zinc/87/11/38/1064871138.db2.gz COXSBMUHSJCSGY-VLIAUNLRSA-N 0 0 452.429 4.669 20 5 JJBDRN COc1ccc(CSCC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC001360056646 1064888569 /nfs/dbraw/zinc/88/85/69/1064888569.db2.gz FOYVCICUZSYJOU-FQEVSTJZSA-N 0 0 450.532 4.586 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC001435657630 1064912973 /nfs/dbraw/zinc/91/29/73/1064912973.db2.gz SRDYKWVUXQLMJQ-UHFFFAOYSA-N 0 0 459.506 4.834 20 5 JJBDRN CC(C)CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001360076531 1064926483 /nfs/dbraw/zinc/92/64/83/1064926483.db2.gz RAIOXDAZUAMJDS-HXUWFJFHSA-N 0 0 483.642 4.750 20 5 JJBDRN CC(C)CN(C(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435673382 1064926366 /nfs/dbraw/zinc/92/63/66/1064926366.db2.gz JURZCFDJYQUTDE-VFNWGFHPSA-N 0 0 453.520 4.936 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nc2ccccc2o1 ZINC001435675582 1064928743 /nfs/dbraw/zinc/92/87/43/1064928743.db2.gz UQUKJPZONSDDFG-SNVBAGLBSA-N 0 0 452.204 4.567 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1)CC2 ZINC001435682320 1064931582 /nfs/dbraw/zinc/93/15/82/1064931582.db2.gz VMFNMVKCSJZXHF-NHCUHLMSSA-N 0 0 465.550 4.518 20 5 JJBDRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001360078885 1064932749 /nfs/dbraw/zinc/93/27/49/1064932749.db2.gz JVXMWGKJVQHOOX-FQEVSTJZSA-N 0 0 451.914 4.766 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001435690219 1064936012 /nfs/dbraw/zinc/93/60/12/1064936012.db2.gz AJOMUFDXNJBNPX-XCLFUZPHSA-N 0 0 457.826 4.652 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccnc(OCC(F)(F)C(F)F)c1 ZINC001435690912 1064936486 /nfs/dbraw/zinc/93/64/86/1064936486.db2.gz JESYSELIIHJAEW-UHFFFAOYSA-N 0 0 453.801 4.653 20 5 JJBDRN CN(C)c1cc(Br)cc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 ZINC001435691122 1064937307 /nfs/dbraw/zinc/93/73/07/1064937307.db2.gz JOFWOQOIQPTWLE-HXUWFJFHSA-N 0 0 456.296 4.765 20 5 JJBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435693285 1064940308 /nfs/dbraw/zinc/94/03/08/1064940308.db2.gz WQZTZJZKFRHIPK-YUNKPMOVSA-N 0 0 458.312 4.599 20 5 JJBDRN CC(C)(C)[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OCc1ccccc1 ZINC001435693789 1064940964 /nfs/dbraw/zinc/94/09/64/1064940964.db2.gz HGWJNGXPXSVRGI-LJQANCHMSA-N 0 0 453.520 4.606 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001360115591 1064997805 /nfs/dbraw/zinc/99/78/05/1064997805.db2.gz CFMGOZDBEIWBBQ-UHFFFAOYSA-N 0 0 494.625 4.804 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1 ZINC001360115891 1064999116 /nfs/dbraw/zinc/99/91/16/1064999116.db2.gz NIBJWIBPTWJIJD-DEOSSOPVSA-N 0 0 478.578 4.633 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 ZINC001360116448 1065000822 /nfs/dbraw/zinc/00/08/22/1065000822.db2.gz FQDSDYKHJCVXBK-FQEVSTJZSA-N 0 0 471.602 4.733 20 5 JJBDRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCCCCC1 ZINC001360118436 1065004406 /nfs/dbraw/zinc/00/44/06/1065004406.db2.gz ICKPLAIKYWAHQY-UHFFFAOYSA-N 0 0 453.543 4.947 20 5 JJBDRN COC(=O)c1ccc(OC(=O)CCCSc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001435825848 1065011375 /nfs/dbraw/zinc/01/13/75/1065011375.db2.gz CEAGGGFYRYYMAN-UHFFFAOYSA-N 0 0 454.298 4.622 20 5 JJBDRN O=C(N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001435845337 1065020493 /nfs/dbraw/zinc/02/04/93/1065020493.db2.gz INLMOUBMMQNNDW-GFCCVEGCSA-N 0 0 450.291 4.766 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)cc2[N+](=O)[O-])C1 ZINC001360130989 1065026201 /nfs/dbraw/zinc/02/62/01/1065026201.db2.gz HSCRBSQKBCEURG-LVCYWYKZSA-N 0 0 454.546 4.615 20 5 JJBDRN O=C(Cc1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001435894841 1065049394 /nfs/dbraw/zinc/04/93/94/1065049394.db2.gz JPWIXCYNLYEZIW-UHFFFAOYSA-N 0 0 451.047 4.687 20 5 JJBDRN O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001435901754 1065053639 /nfs/dbraw/zinc/05/36/39/1065053639.db2.gz VSSLIFZQUIIHEF-UHFFFAOYSA-N 0 0 453.486 4.750 20 5 JJBDRN Cn1cc(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC001435904084 1065054944 /nfs/dbraw/zinc/05/49/44/1065054944.db2.gz FIOVESBKRINLAT-UHFFFAOYSA-N 0 0 455.820 4.654 20 5 JJBDRN O=C(Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001435922239 1065064916 /nfs/dbraw/zinc/06/49/16/1065064916.db2.gz NQXHLUBCIMYDGA-NRFANRHFSA-N 0 0 453.401 4.584 20 5 JJBDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001435926446 1065067143 /nfs/dbraw/zinc/06/71/43/1065067143.db2.gz WDMCNNMVVVMXPT-JTQLQIEISA-N 0 0 457.708 4.985 20 5 JJBDRN CSc1ccc(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC001435934109 1065070758 /nfs/dbraw/zinc/07/07/58/1065070758.db2.gz JHVMYRJKAWKWCM-HXUWFJFHSA-N 0 0 450.516 4.574 20 5 JJBDRN CC(C)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)c1ccc(C(F)(F)F)cc1 ZINC001435939605 1065073552 /nfs/dbraw/zinc/07/35/52/1065073552.db2.gz BSRPEQAUUDIZIF-UHFFFAOYSA-N 0 0 450.392 4.646 20 5 JJBDRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001360205503 1065080250 /nfs/dbraw/zinc/08/02/50/1065080250.db2.gz KXXXHVJWCYKBQS-LLVKDONJSA-N 0 0 458.683 4.556 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3nc4cc(Cl)ccc4n3C)cc2[N+](=O)[O-])C1 ZINC001435972307 1065087738 /nfs/dbraw/zinc/08/77/38/1065087738.db2.gz FRMKOPCYKKIIKU-HUUCEWRRSA-N 0 0 455.946 4.547 20 5 JJBDRN COc1cc(N(C)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC001360225194 1065088078 /nfs/dbraw/zinc/08/80/78/1065088078.db2.gz PHMSKMFWZZKBEX-UHFFFAOYSA-N 0 0 451.479 4.509 20 5 JJBDRN COc1ccccc1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001360225576 1065088459 /nfs/dbraw/zinc/08/84/59/1065088459.db2.gz XUZMFXZJBJZADX-JOCHJYFZSA-N 0 0 455.308 4.814 20 5 JJBDRN COc1ccccc1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001360225578 1065088639 /nfs/dbraw/zinc/08/86/39/1065088639.db2.gz XUZMFXZJBJZADX-QFIPXVFZSA-N 0 0 455.308 4.814 20 5 JJBDRN Cc1nc2cc(Br)cc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2o1 ZINC001435978562 1065090112 /nfs/dbraw/zinc/09/01/12/1065090112.db2.gz XHGYVBIACQQGOP-UHFFFAOYSA-N 0 0 459.300 4.662 20 5 JJBDRN O=C(Nc1nc2ccc(I)cc2s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001435986932 1065094177 /nfs/dbraw/zinc/09/41/77/1065094177.db2.gz OIKNGNOFHKSEBD-UHFFFAOYSA-N 0 0 459.652 4.715 20 5 JJBDRN O=C(Nc1nc2ccc(I)cc2s1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435988898 1065095033 /nfs/dbraw/zinc/09/50/33/1065095033.db2.gz WDCZPLCRQRBTDM-QWHCGFSZSA-N 0 0 465.272 4.551 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N[C@]3(Cc4ccc(Cl)cc4)CCOC3)cc2[N+](=O)[O-])CC1 ZINC001436008152 1065105759 /nfs/dbraw/zinc/10/57/59/1065105759.db2.gz 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OJHQSIVKDSHIHT-UHFFFAOYSA-N 0 0 457.240 4.957 20 5 JJBDRN C[C@H](C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001360293808 1065128229 /nfs/dbraw/zinc/12/82/29/1065128229.db2.gz SZJYVFNCIZBBCE-SFHVURJKSA-N 0 0 452.482 4.954 20 5 JJBDRN CC(=O)N(Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1)C(C)C ZINC001360299674 1065132319 /nfs/dbraw/zinc/13/23/19/1065132319.db2.gz PPERPRUNZGMPRL-UHFFFAOYSA-N 0 0 452.555 4.840 20 5 JJBDRN O=C(NCCC1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001360314982 1065149895 /nfs/dbraw/zinc/14/98/95/1065149895.db2.gz YGGZHONTOPDZFI-UHFFFAOYSA-N 0 0 451.567 4.600 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001436057840 1065150481 /nfs/dbraw/zinc/15/04/81/1065150481.db2.gz MFEJHKDNHYXAOP-UHFFFAOYSA-N 0 0 453.455 4.694 20 5 JJBDRN CC(C)c1ccc(C(=O)NCc2ccc(Cl)cc2I)cc1[N+](=O)[O-] ZINC001436070360 1065158886 /nfs/dbraw/zinc/15/88/86/1065158886.db2.gz RBDPVQJGMNDMEC-UHFFFAOYSA-N 0 0 458.683 4.906 20 5 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CC(C)(O)[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC001455448179 1066391206 /nfs/dbraw/zinc/39/12/06/1066391206.db2.gz QCOANJFVCRMOQU-MTMYEVCSSA-N 0 0 451.548 4.755 20 5 JJBDRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001455501255 1066398621 /nfs/dbraw/zinc/39/86/21/1066398621.db2.gz GALASUHTTTYIQO-UHFFFAOYSA-N 0 0 451.567 4.838 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001361132790 1066403174 /nfs/dbraw/zinc/40/31/74/1066403174.db2.gz VIXCMFCWWJYNFM-LJQANCHMSA-N 0 0 459.550 4.688 20 5 JJBDRN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1cc(C(F)(F)F)ccc1Br ZINC001455649075 1066419589 /nfs/dbraw/zinc/41/95/89/1066419589.db2.gz LHKWKKZQUQZBNI-UHFFFAOYSA-N 0 0 451.626 4.888 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001361141956 1066422379 /nfs/dbraw/zinc/42/23/79/1066422379.db2.gz VZXGPJIBMSIQNI-ZDUSSCGKSA-N 0 0 450.875 4.992 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001361146621 1066432247 /nfs/dbraw/zinc/43/22/47/1066432247.db2.gz KIYJVYYOMGBTJG-UHFFFAOYSA-N 0 0 453.539 4.641 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC001361148017 1066432998 /nfs/dbraw/zinc/43/29/98/1066432998.db2.gz YBZHOCCGKYBNNH-UHFFFAOYSA-N 0 0 458.931 4.854 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC001455820512 1066437645 /nfs/dbraw/zinc/43/76/45/1066437645.db2.gz CKGUMMJASRAXDI-DEOSSOPVSA-N 0 0 457.571 4.656 20 5 JJBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001444263451 1066438486 /nfs/dbraw/zinc/43/84/86/1066438486.db2.gz GRAYDWNDTYOKSL-OAQYLSRUSA-N 0 0 454.577 4.764 20 5 JJBDRN CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001444325706 1066449139 /nfs/dbraw/zinc/44/91/39/1066449139.db2.gz KEJQTZXHXBDOJC-IAGOWNOFSA-N 0 0 454.365 4.530 20 5 JJBDRN COc1cc(C(=O)O[C@@H](c2cc(Br)ccc2F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001361153538 1066450097 /nfs/dbraw/zinc/45/00/97/1066450097.db2.gz IQRLXBUVVFAHEL-AWEZNQCLSA-N 0 0 452.154 4.965 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC001455927447 1066452610 /nfs/dbraw/zinc/45/26/10/1066452610.db2.gz NFWWVSJTEQJCBC-UHFFFAOYSA-N 0 0 453.520 4.745 20 5 JJBDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001455938267 1066456412 /nfs/dbraw/zinc/45/64/12/1066456412.db2.gz HFKADRLEJNWXKF-AWEZNQCLSA-N 0 0 455.864 4.794 20 5 JJBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCc3c2cccc3Br)cc1[N+](=O)[O-] ZINC001455960772 1066461331 /nfs/dbraw/zinc/46/13/31/1066461331.db2.gz ADYFSRHCXXCRCW-HNNXBMFYSA-N 0 0 454.118 4.846 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1[N+](=O)[O-] ZINC001444490000 1066466712 /nfs/dbraw/zinc/46/67/12/1066466712.db2.gz RUHFLBHIOKXBSI-AWEZNQCLSA-N 0 0 452.280 4.648 20 5 JJBDRN CN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001455988143 1066467766 /nfs/dbraw/zinc/46/77/66/1066467766.db2.gz YOCCGCFYNFZYQY-KSSFIOAISA-N 0 0 455.820 4.815 20 5 JJBDRN CC(C)Oc1cc(C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC001455990055 1066468475 /nfs/dbraw/zinc/46/84/75/1066468475.db2.gz BQMLSXHZRHJYJJ-UHFFFAOYSA-N 0 0 459.499 4.538 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CCC[C@H](O)C1 ZINC001444558711 1066475778 /nfs/dbraw/zinc/47/57/78/1066475778.db2.gz SWNWFLOMGNSVSS-BXVAQCIKSA-N 0 0 451.548 4.803 20 5 JJBDRN CNc1nccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)c1[N+](=O)[O-] ZINC001444609770 1066482090 /nfs/dbraw/zinc/48/20/90/1066482090.db2.gz BKNDDUCOQRZXQE-UHFFFAOYSA-N 0 0 454.352 4.957 20 5 JJBDRN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1CCCCCC1 ZINC001456112494 1066511439 /nfs/dbraw/zinc/51/14/39/1066511439.db2.gz SSALIAVZXLAWPS-QFIPXVFZSA-N 0 0 453.539 4.696 20 5 JJBDRN COc1cc(C(=O)NCCNc2cccc(C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001456126647 1066515792 /nfs/dbraw/zinc/51/57/92/1066515792.db2.gz GQRLNUNYYZKSNS-UHFFFAOYSA-N 0 0 456.886 4.594 20 5 JJBDRN CCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001456147396 1066522102 /nfs/dbraw/zinc/52/21/02/1066522102.db2.gz VJDBNSNYPBRXNR-DEOSSOPVSA-N 0 0 459.481 4.875 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001456214105 1066539016 /nfs/dbraw/zinc/53/90/16/1066539016.db2.gz QUTCOVMZVYGXMZ-QGZVFWFLSA-N 0 0 451.589 4.814 20 5 JJBDRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001445183622 1066544204 /nfs/dbraw/zinc/54/42/04/1066544204.db2.gz QKZWASQPEXHQJR-UHFFFAOYSA-N 0 0 457.571 4.655 20 5 JJBDRN COc1ccccc1C(F)(F)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001456245191 1066544754 /nfs/dbraw/zinc/54/47/54/1066544754.db2.gz NDKYSMQLPKYTEC-UHFFFAOYSA-N 0 0 454.389 4.780 20 5 JJBDRN O=C(C[C@H]1CCCCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001445267219 1066549956 /nfs/dbraw/zinc/54/99/56/1066549956.db2.gz DKRPTHBLTFJLRH-GOSISDBHSA-N 0 0 459.340 4.944 20 5 JJBDRN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c1 ZINC001445283407 1066552917 /nfs/dbraw/zinc/55/29/17/1066552917.db2.gz IXAADSUTHKEWEZ-QGZVFWFLSA-N 0 0 458.421 4.572 20 5 JJBDRN Cc1cc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC001456361883 1066570704 /nfs/dbraw/zinc/57/07/04/1066570704.db2.gz GBVZHUVMXRMNIM-UHFFFAOYSA-N 0 0 454.389 4.645 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C ZINC001456374825 1066573128 /nfs/dbraw/zinc/57/31/28/1066573128.db2.gz SIUBSCGFARUHNJ-UHFFFAOYSA-N 0 0 450.474 4.784 20 5 JJBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([N+](=O)[O-])ccc2I)o1 ZINC001361233438 1066574453 /nfs/dbraw/zinc/57/44/53/1066574453.db2.gz FZVCBORDNNTAQU-BZNIZROVSA-N 0 0 454.264 4.714 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC001445585078 1066591230 /nfs/dbraw/zinc/59/12/30/1066591230.db2.gz LCZXLMYBJXAGIH-UHFFFAOYSA-N 0 0 459.568 4.831 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]1c1ccccc1Br ZINC001445603404 1066594617 /nfs/dbraw/zinc/59/46/17/1066594617.db2.gz UWNVZQBFSBWTSF-QGZVFWFLSA-N 0 0 456.296 4.648 20 5 JJBDRN Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)c2ncc(C)s2)o1 ZINC001361250485 1066597208 /nfs/dbraw/zinc/59/72/08/1066597208.db2.gz XRCZTWPXDRJQOR-AWEZNQCLSA-N 0 0 452.540 4.960 20 5 JJBDRN CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001445639086 1066597389 /nfs/dbraw/zinc/59/73/89/1066597389.db2.gz OXDRHAJCMAAUJU-UHFFFAOYSA-N 0 0 453.967 4.819 20 5 JJBDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC001361253239 1066600996 /nfs/dbraw/zinc/60/09/96/1066600996.db2.gz PLVYCDSDDZNDTI-GOSISDBHSA-N 0 0 452.532 4.677 20 5 JJBDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC001361253240 1066601115 /nfs/dbraw/zinc/60/11/15/1066601115.db2.gz PLVYCDSDDZNDTI-SFHVURJKSA-N 0 0 452.532 4.677 20 5 JJBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001456502983 1066603762 /nfs/dbraw/zinc/60/37/62/1066603762.db2.gz DFMDWRLAXVWJSH-WOJBJXKFSA-N 0 0 455.312 4.539 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001456520346 1066611207 /nfs/dbraw/zinc/61/12/07/1066611207.db2.gz XMJUIXWDJWQBHD-UHFFFAOYSA-N 0 0 453.539 4.602 20 5 JJBDRN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001445789889 1066618110 /nfs/dbraw/zinc/61/81/10/1066618110.db2.gz CUNSUTHTZWLUJG-OAHLLOKOSA-N 0 0 453.882 4.729 20 5 JJBDRN O=C(COc1ccc(Br)cc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001456539999 1066619395 /nfs/dbraw/zinc/61/93/95/1066619395.db2.gz FCRAMRICGNKBNF-QGZVFWFLSA-N 0 0 457.733 4.664 20 5 JJBDRN C[C@H]1CN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361270277 1066623697 /nfs/dbraw/zinc/62/36/97/1066623697.db2.gz GJZAPCLJBGIHRA-QWRGUYRKSA-N 0 0 459.371 4.758 20 5 JJBDRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361270275 1066623754 /nfs/dbraw/zinc/62/37/54/1066623754.db2.gz GJZAPCLJBGIHRA-GHMZBOCLSA-N 0 0 459.371 4.758 20 5 JJBDRN CC[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC001445827767 1066624281 /nfs/dbraw/zinc/62/42/81/1066624281.db2.gz ZVJBDPMHYOWINO-XXBNENTESA-N 0 0 455.461 4.727 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N(C[C@H]3CCCO3)c3ccncc3)cc2[N+](=O)[O-])n1 ZINC001456562930 1066625721 /nfs/dbraw/zinc/62/57/21/1066625721.db2.gz QUSFLYPDCOXSGZ-QGZVFWFLSA-N 0 0 456.549 4.732 20 5 JJBDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001456573218 1066629182 /nfs/dbraw/zinc/62/91/82/1066629182.db2.gz ZUXTYVYEOSTNDP-IVZQSRNASA-N 0 0 456.930 4.616 20 5 JJBDRN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC001361274661 1066631718 /nfs/dbraw/zinc/63/17/18/1066631718.db2.gz LIEVMIAIVZALIW-TUFGIGEDSA-N 0 0 463.456 4.969 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC001456592613 1066635669 /nfs/dbraw/zinc/63/56/69/1066635669.db2.gz JZPUJNNVUAJMAD-UHFFFAOYSA-N 0 0 451.323 4.873 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456604994 1066640908 /nfs/dbraw/zinc/64/09/08/1066640908.db2.gz WIIBVGBLCFGFKZ-ZWKOTPCHSA-N 0 0 459.930 4.900 20 5 JJBDRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC001456615177 1066644252 /nfs/dbraw/zinc/64/42/52/1066644252.db2.gz LCMUQFPAXZIJEO-INIZCTEOSA-N 0 0 451.552 4.878 20 5 JJBDRN Cc1ccc(NCCCNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC001456622122 1066647715 /nfs/dbraw/zinc/64/77/15/1066647715.db2.gz HKZNITQXXRPQMZ-AWEZNQCLSA-N 0 0 452.324 4.602 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC001456726535 1066674421 /nfs/dbraw/zinc/67/44/21/1066674421.db2.gz SKCUBMCRNKZMNZ-UHFFFAOYSA-N 0 0 451.523 4.948 20 5 JJBDRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1cccc([N+](=O)[O-])c1 ZINC001446246120 1066679680 /nfs/dbraw/zinc/67/96/80/1066679680.db2.gz NQPKBRUFRYBJSE-JOCHJYFZSA-N 0 0 453.520 4.585 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(CC(C)C)c2C)cc1[N+](=O)[O-] ZINC001446303182 1066688863 /nfs/dbraw/zinc/68/88/63/1066688863.db2.gz YDWHWGLDUCEKND-UHFFFAOYSA-N 0 0 452.536 4.961 20 5 JJBDRN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001446306963 1066688964 /nfs/dbraw/zinc/68/89/64/1066688964.db2.gz FSSPDKGKJWRQJM-LJQANCHMSA-N 0 0 456.886 4.594 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N(c1ccccc1F)C1CCCC1 ZINC001456826070 1066701897 /nfs/dbraw/zinc/70/18/97/1066701897.db2.gz OLGGTLIAFFJFEE-UHFFFAOYSA-N 0 0 454.239 4.928 20 5 JJBDRN CCOc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)cc1[N+](=O)[O-] ZINC001545985406 1066702381 /nfs/dbraw/zinc/70/23/81/1066702381.db2.gz AGZHPPZLIXGYAE-UHFFFAOYSA-N 0 0 450.882 4.916 20 5 JJBDRN Cc1ccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])cn3)nc3cc(Br)ccc32)cc1 ZINC001456869414 1066710757 /nfs/dbraw/zinc/71/07/57/1066710757.db2.gz SYRVFCJIRXSOHG-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN COc1cc(OCC(=O)O[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001456868401 1066710769 /nfs/dbraw/zinc/71/07/69/1066710769.db2.gz WRODWEGMFDPVNU-MRXNPFEDSA-N 0 0 453.291 4.848 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456899123 1066717444 /nfs/dbraw/zinc/71/74/44/1066717444.db2.gz PWBSKQIVUWNAFO-UHFFFAOYSA-N 0 0 453.720 4.971 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)n1 ZINC001492637522 1066724047 /nfs/dbraw/zinc/72/40/47/1066724047.db2.gz TZIPRIDLWUDFDL-ZDUSSCGKSA-N 0 0 469.596 4.823 20 5 JJBDRN CC(=O)CCc1ccc2oc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)c(C)c2c1 ZINC001456935481 1066725474 /nfs/dbraw/zinc/72/54/74/1066725474.db2.gz VUJKSYBGHSEDDZ-UHFFFAOYSA-N 0 0 450.491 4.855 20 5 JJBDRN CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C(C)(C)C)n2)CCO1 ZINC001546085972 1066736509 /nfs/dbraw/zinc/73/65/09/1066736509.db2.gz WGURIQUMCKVGCG-XMMPIXPASA-N 0 0 484.626 4.855 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC2CCOCC2)n1 ZINC001492643696 1066740243 /nfs/dbraw/zinc/74/02/43/1066740243.db2.gz BDSUTSOFTNJXEK-UHFFFAOYSA-N 0 0 470.599 4.504 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC001446807382 1066742963 /nfs/dbraw/zinc/74/29/63/1066742963.db2.gz KOVDUQNGKQSQLI-UHFFFAOYSA-N 0 0 457.458 4.913 20 5 JJBDRN CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1F ZINC001447048068 1066768517 /nfs/dbraw/zinc/76/85/17/1066768517.db2.gz HTOWSYQMXRFRNM-JOCHJYFZSA-N 0 0 451.502 4.856 20 5 JJBDRN C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nc2cc(Cl)ccc2n1C ZINC001457186394 1066782276 /nfs/dbraw/zinc/78/22/76/1066782276.db2.gz MAMINTFZWYNWBT-SNVBAGLBSA-N 0 0 452.692 4.744 20 5 JJBDRN Nc1c(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001447202025 1066782290 /nfs/dbraw/zinc/78/22/90/1066782290.db2.gz QZPRQLNMJOJUDH-UHFFFAOYSA-N 0 0 455.298 4.719 20 5 JJBDRN O=C(COc1ccccc1[N+](=O)[O-])O[C@@H](c1cc(Br)ccc1F)C(F)(F)F ZINC001457187825 1066782762 /nfs/dbraw/zinc/78/27/62/1066782762.db2.gz FDZDUMGDFXKDMG-HNNXBMFYSA-N 0 0 452.154 4.722 20 5 JJBDRN Cc1nc(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC001457204449 1066789327 /nfs/dbraw/zinc/78/93/27/1066789327.db2.gz OXLSUKKYUXMDHE-UHFFFAOYSA-N 0 0 450.234 4.978 20 5 JJBDRN CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC001545994605 1066793080 /nfs/dbraw/zinc/79/30/80/1066793080.db2.gz CIDNOTZQJLXXII-HXUWFJFHSA-N 0 0 477.613 4.690 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC001457490160 1066841690 /nfs/dbraw/zinc/84/16/90/1066841690.db2.gz BFFQTIHFTGESAD-CABCVRRESA-N 0 0 450.919 4.546 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001447726028 1066847616 /nfs/dbraw/zinc/84/76/16/1066847616.db2.gz BBLHXENKIJGKHW-MRXNPFEDSA-N 0 0 451.589 4.814 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC001447741585 1066850859 /nfs/dbraw/zinc/85/08/59/1066850859.db2.gz IDMNRQHHHNQGCU-UHFFFAOYSA-N 0 0 451.951 4.810 20 5 JJBDRN O=C(NCc1cccs1)c1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1Cl ZINC001457523181 1066851766 /nfs/dbraw/zinc/85/17/66/1066851766.db2.gz ZETOCCSALRQDRX-UHFFFAOYSA-N 0 0 451.838 4.770 20 5 JJBDRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001447806766 1066863797 /nfs/dbraw/zinc/86/37/97/1066863797.db2.gz VIIQIDVRORKFAW-YWZLYKJASA-N 0 0 454.470 4.959 20 5 JJBDRN CC(C)CN(Cc1ccccc1Br)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001457566751 1066864174 /nfs/dbraw/zinc/86/41/74/1066864174.db2.gz MIJIFJJUDTUEPC-UHFFFAOYSA-N 0 0 457.328 4.841 20 5 JJBDRN Cc1nccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 ZINC001492705491 1066865513 /nfs/dbraw/zinc/86/55/13/1066865513.db2.gz HPHXQWWOMKVDRM-UHFFFAOYSA-N 0 0 451.575 4.854 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)n3)cc2[N+](=O)[O-])C1 ZINC001457588656 1066872246 /nfs/dbraw/zinc/87/22/46/1066872246.db2.gz XBHLCMVKZSZCSB-KBPBESRZSA-N 0 0 454.918 4.768 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)n3)cc2[N+](=O)[O-])C1 ZINC001457588693 1066872795 /nfs/dbraw/zinc/87/27/95/1066872795.db2.gz XBHLCMVKZSZCSB-ZIAGYGMSSA-N 0 0 454.918 4.768 20 5 JJBDRN CC(=O)N1CCCc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)ccc21 ZINC001457588612 1066872895 /nfs/dbraw/zinc/87/28/95/1066872895.db2.gz UQZWWBNRBIGKSJ-UHFFFAOYSA-N 0 0 452.692 4.562 20 5 JJBDRN COC(=O)C(C)(C)[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001457600842 1066875187 /nfs/dbraw/zinc/87/51/87/1066875187.db2.gz VXNXSAPEERAIAN-JOCHJYFZSA-N 0 0 453.539 4.501 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC001448019811 1066890585 /nfs/dbraw/zinc/89/05/85/1066890585.db2.gz AHBVHHYMEYSKOH-UHFFFAOYSA-N 0 0 456.564 4.705 20 5 JJBDRN Cc1nn(C)c(C)c1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001492722056 1066893216 /nfs/dbraw/zinc/89/32/16/1066893216.db2.gz QLJPMJNNNKWTJH-UHFFFAOYSA-N 0 0 453.591 4.589 20 5 JJBDRN O=C(NC1CCN(c2cccc(F)c2)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457671821 1066894894 /nfs/dbraw/zinc/89/48/94/1066894894.db2.gz XROBQOGLLSKROQ-UHFFFAOYSA-N 0 0 456.699 4.549 20 5 JJBDRN Cc1nn(C)c(C(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)c1[N+](=O)[O-] ZINC001457672728 1066895357 /nfs/dbraw/zinc/89/53/57/1066895357.db2.gz NSCHBCMWOKSOJU-UHFFFAOYSA-N 0 0 450.474 4.934 20 5 JJBDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001448072435 1066896238 /nfs/dbraw/zinc/89/62/38/1066896238.db2.gz OSECPWVJYIAFOE-GOSISDBHSA-N 0 0 451.548 4.754 20 5 JJBDRN O=C(Nc1nc2ccc(I)cc2s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001448074438 1066897584 /nfs/dbraw/zinc/89/75/84/1066897584.db2.gz CTHAQXYFKRZMRS-UHFFFAOYSA-N 0 0 459.652 4.715 20 5 JJBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001457713665 1066902845 /nfs/dbraw/zinc/90/28/45/1066902845.db2.gz ONZIJDDWTKESAS-ROUUACIJSA-N 0 0 455.268 4.682 20 5 JJBDRN Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)cc1C ZINC001448257490 1066915268 /nfs/dbraw/zinc/91/52/68/1066915268.db2.gz POALKDBEICDMRX-JOCHJYFZSA-N 0 0 458.518 4.747 20 5 JJBDRN O=C(Nc1ccc(N2CCCCC2)c2ncccc12)c1cc([N+](=O)[O-])ncc1Br ZINC001457787267 1066919875 /nfs/dbraw/zinc/91/98/75/1066919875.db2.gz JUBSLPSMHDVVNA-UHFFFAOYSA-N 0 0 456.300 4.543 20 5 JJBDRN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001457898305 1066938306 /nfs/dbraw/zinc/93/83/06/1066938306.db2.gz YBYYAPJLFJVLFE-UHFFFAOYSA-N 0 0 452.858 4.650 20 5 JJBDRN CN(c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCC1 ZINC001457898502 1066938317 /nfs/dbraw/zinc/93/83/17/1066938317.db2.gz LMKTVMBBMGEYJV-UHFFFAOYSA-N 0 0 452.540 4.506 20 5 JJBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001448608702 1066941453 /nfs/dbraw/zinc/94/14/53/1066941453.db2.gz ABKOUVLEGPZKHN-HOTGVXAUSA-N 0 0 453.543 4.731 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001457926707 1066942440 /nfs/dbraw/zinc/94/24/40/1066942440.db2.gz DXAODWQGOQWMBA-XMMPIXPASA-N 0 0 457.958 4.608 20 5 JJBDRN Nc1c(Cl)cc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1[N+](=O)[O-] ZINC001448723777 1066953850 /nfs/dbraw/zinc/95/38/50/1066953850.db2.gz TUCQNTZUKFMLPT-UHFFFAOYSA-N 0 0 451.910 4.621 20 5 JJBDRN C/C(=C\C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC001448728190 1066954166 /nfs/dbraw/zinc/95/41/66/1066954166.db2.gz VOQMABDDQGQDLP-SDNWHVSQSA-N 0 0 459.428 4.579 20 5 JJBDRN Cc1ccc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)c(Sc2ccccc2)c1 ZINC001448728185 1066954403 /nfs/dbraw/zinc/95/44/03/1066954403.db2.gz VKXKFWCHQJDKHQ-UHFFFAOYSA-N 0 0 459.531 4.840 20 5 JJBDRN Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001458054693 1066962489 /nfs/dbraw/zinc/96/24/89/1066962489.db2.gz MDCUNIGGWOZSLX-UHFFFAOYSA-N 0 0 455.312 4.803 20 5 JJBDRN Cn1cc(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001545716154 1066971065 /nfs/dbraw/zinc/97/10/65/1066971065.db2.gz JCHNSLDQDBVHJB-XMMPIXPASA-N 0 0 456.502 4.914 20 5 JJBDRN O=[N+]([O-])c1cnc(NC[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)nc1 ZINC001458097388 1066974506 /nfs/dbraw/zinc/97/45/06/1066974506.db2.gz ASXOVJDDDMKELC-QGZVFWFLSA-N 0 0 450.351 4.965 20 5 JJBDRN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccc(OC(F)(F)F)cc1 ZINC001448981212 1066975353 /nfs/dbraw/zinc/97/53/53/1066975353.db2.gz PWUHLGWHPMQLBZ-MRVPVSSYSA-N 0 0 451.170 4.886 20 5 JJBDRN CC[C@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(OC)OC ZINC001449013342 1066977360 /nfs/dbraw/zinc/97/73/60/1066977360.db2.gz MQWZALBNCLOYGU-ZUTYSQTGSA-N 0 0 455.536 4.649 20 5 JJBDRN O=C(CCCOc1ccccc1)Nc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC001458108412 1066978299 /nfs/dbraw/zinc/97/82/99/1066978299.db2.gz LODOXKBFNUHTFG-UHFFFAOYSA-N 0 0 457.490 4.948 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001449038931 1066978559 /nfs/dbraw/zinc/97/85/59/1066978559.db2.gz CPHRZCIHAPBPQY-UHFFFAOYSA-N 0 0 454.470 4.849 20 5 JJBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001458129989 1066984319 /nfs/dbraw/zinc/98/43/19/1066984319.db2.gz JBCIRNLLMXLEAZ-UHFFFAOYSA-N 0 0 454.792 4.851 20 5 JJBDRN O=C(NC[C@@H]1CCCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC001458168422 1066994467 /nfs/dbraw/zinc/99/44/67/1066994467.db2.gz STTAFELFROHDNX-AWEZNQCLSA-N 0 0 457.893 4.974 20 5 JJBDRN CCc1cc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458179795 1066998266 /nfs/dbraw/zinc/99/82/66/1066998266.db2.gz MVWPPYUJSDVYDF-HXUWFJFHSA-N 0 0 451.914 4.509 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@H](C)[S@]1=O ZINC001449336258 1067001209 /nfs/dbraw/zinc/00/12/09/1067001209.db2.gz YCVNYUIETULPHE-PAMZUUQGSA-N 0 0 452.985 4.771 20 5 JJBDRN O=C(NCc1cnc(Br)s1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001449405924 1067007314 /nfs/dbraw/zinc/00/73/14/1067007314.db2.gz GYCFMAQIJACMSS-UHFFFAOYSA-N 0 0 450.339 4.895 20 5 JJBDRN CC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC001458226737 1067007499 /nfs/dbraw/zinc/00/74/99/1067007499.db2.gz ANTRYQNXXAYWGP-KNQAVFIVSA-N 0 0 457.596 4.790 20 5 JJBDRN NC(=O)c1cc(Sc2nnc(-c3ccccc3Cl)n2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001458236076 1067009441 /nfs/dbraw/zinc/00/94/41/1067009441.db2.gz GAUPDKUBIHISDI-UHFFFAOYSA-N 0 0 451.895 4.746 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001458257186 1067014186 /nfs/dbraw/zinc/01/41/86/1067014186.db2.gz WQGLPMLPCNLMAM-MJGOQNOKSA-N 0 0 456.543 4.698 20 5 JJBDRN COc1ccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c(F)c1 ZINC001458263954 1067016223 /nfs/dbraw/zinc/01/62/23/1067016223.db2.gz ICMHEBCGWCQYFU-UHFFFAOYSA-N 0 0 459.499 4.772 20 5 JJBDRN CCCN(CC)C(=O)c1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC001458281467 1067020509 /nfs/dbraw/zinc/02/05/09/1067020509.db2.gz NGLCHTNKPLUGOZ-UHFFFAOYSA-N 0 0 452.536 4.867 20 5 JJBDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001458284132 1067020976 /nfs/dbraw/zinc/02/09/76/1067020976.db2.gz XCXHQJLWKGSPJU-AWEZNQCLSA-N 0 0 454.918 4.621 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449717944 1067023137 /nfs/dbraw/zinc/02/31/37/1067023137.db2.gz ZSDMAGLFVMZDAJ-QHAWAJNXSA-N 0 0 459.587 4.659 20 5 JJBDRN CCC(CC)[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC001458295356 1067024467 /nfs/dbraw/zinc/02/44/67/1067024467.db2.gz YZWCXRYWAVNREC-XMSQKQJNSA-N 0 0 453.605 4.555 20 5 JJBDRN CCc1cc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458297658 1067024891 /nfs/dbraw/zinc/02/48/91/1067024891.db2.gz YQXWZASGIIOIJM-HXUWFJFHSA-N 0 0 456.449 4.794 20 5 JJBDRN COc1ccc(Br)c(CC(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 ZINC001458318147 1067028937 /nfs/dbraw/zinc/02/89/37/1067028937.db2.gz KGIJSOXNYWHTMU-OAQYLSRUSA-N 0 0 457.280 4.636 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nc1 ZINC001458321320 1067029798 /nfs/dbraw/zinc/02/97/98/1067029798.db2.gz RLSWMBYMONFWGV-FQEVSTJZSA-N 0 0 450.451 4.678 20 5 JJBDRN O=C1CCc2cc([N+](=O)[O-])c(NCc3cc(Br)ccc3Br)cc2N1 ZINC001458325264 1067031479 /nfs/dbraw/zinc/03/14/79/1067031479.db2.gz JVMKROMOFLAJDE-UHFFFAOYSA-N 0 0 455.106 4.617 20 5 JJBDRN O=[N+]([O-])c1cc(I)ccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458327853 1067032027 /nfs/dbraw/zinc/03/20/27/1067032027.db2.gz NQLLNDYRMCXHDO-UHFFFAOYSA-N 0 0 454.098 4.919 20 5 JJBDRN COc1cccc(CN(C)c2ncnc3sc([N+](=O)[O-])cc32)c1OCc1ccccc1F ZINC001458334997 1067033791 /nfs/dbraw/zinc/03/37/91/1067033791.db2.gz KBMZBAZLEMUCTP-UHFFFAOYSA-N 0 0 454.483 4.963 20 5 JJBDRN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001449985871 1067040264 /nfs/dbraw/zinc/04/02/64/1067040264.db2.gz VEHSIMZDAATRSY-JTQLQIEISA-N 0 0 451.708 4.649 20 5 JJBDRN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001458360658 1067042085 /nfs/dbraw/zinc/04/20/85/1067042085.db2.gz VBZYPVLLKOKAGW-CQSZACIVSA-N 0 0 450.385 4.829 20 5 JJBDRN O=C(N[C@H](CC1CCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1I ZINC001458388753 1067048698 /nfs/dbraw/zinc/04/86/98/1067048698.db2.gz XTYLBFCPPLZLRH-GOSISDBHSA-N 0 0 450.276 4.861 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)cc2[N+](=O)[O-])C1 ZINC001450099483 1067049349 /nfs/dbraw/zinc/04/93/49/1067049349.db2.gz XTCCZJZSQGOEDC-QZMQVMSPSA-N 0 0 457.958 4.944 20 5 JJBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001458403742 1067053278 /nfs/dbraw/zinc/05/32/78/1067053278.db2.gz UNIRGROCBWMQPC-UHFFFAOYSA-N 0 0 455.511 4.990 20 5 JJBDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001545768788 1067054965 /nfs/dbraw/zinc/05/49/65/1067054965.db2.gz GFJYWACDOYJLSN-YSGRDPCXSA-N 0 0 455.942 4.649 20 5 JJBDRN COc1ccc([C@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])c(Br)c1 ZINC001458413057 1067055953 /nfs/dbraw/zinc/05/59/53/1067055953.db2.gz POBMTRGUWADNGG-VIFPVBQESA-N 0 0 458.106 4.619 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C(F)(F)F)n[nH]2)cc1[N+](=O)[O-] ZINC001546020201 1067057334 /nfs/dbraw/zinc/05/73/34/1067057334.db2.gz WGCRITZEMPFCJP-UHFFFAOYSA-N 0 0 450.398 4.542 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001450260901 1067065585 /nfs/dbraw/zinc/06/55/85/1067065585.db2.gz UPPOODZYRNOODS-RBUKOAKNSA-N 0 0 459.587 4.758 20 5 JJBDRN CC1(C)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@](C)(C(F)(F)F)O1 ZINC001450270086 1067067021 /nfs/dbraw/zinc/06/70/21/1067067021.db2.gz KWBZPUQXECNXAJ-OAQYLSRUSA-N 0 0 454.395 4.532 20 5 JJBDRN O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001450287781 1067069192 /nfs/dbraw/zinc/06/91/92/1067069192.db2.gz AQONXYKAQPHXPP-OAHLLOKOSA-N 0 0 453.486 4.750 20 5 JJBDRN CCCCc1ccc(OC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC001458467006 1067069600 /nfs/dbraw/zinc/06/96/00/1067069600.db2.gz HBGZWAUTMHBHIL-UHFFFAOYSA-N 0 0 455.488 4.924 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001458476725 1067071768 /nfs/dbraw/zinc/07/17/68/1067071768.db2.gz JRFGVJKZUQQVTE-YLJYHZDGSA-N 0 0 455.490 4.815 20 5 JJBDRN O=C1C[C@]2(CCCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC001458485890 1067073546 /nfs/dbraw/zinc/07/35/46/1067073546.db2.gz CXJRJCKOIAJFKI-SFHVURJKSA-N 0 0 457.355 4.648 20 5 JJBDRN CO[C@H](C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC001458498434 1067075040 /nfs/dbraw/zinc/07/50/40/1067075040.db2.gz DJMLNXCDABPDEF-LBPRGKRZSA-N 0 0 450.108 4.508 20 5 JJBDRN CC(C)(CNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])CC(F)(F)F ZINC001458499446 1067075407 /nfs/dbraw/zinc/07/54/07/1067075407.db2.gz NTHWECPXIADRGX-UHFFFAOYSA-N 0 0 456.446 4.572 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)SC ZINC001545780711 1067075805 /nfs/dbraw/zinc/07/58/05/1067075805.db2.gz FPIMIQVOHVMSEV-UHFFFAOYSA-N 0 0 484.630 4.517 20 5 JJBDRN CCOc1ccc([C@@H](O)C2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)cc1 ZINC001450409333 1067078099 /nfs/dbraw/zinc/07/80/99/1067078099.db2.gz LZOUKTQBTPTVCU-HXUWFJFHSA-N 0 0 452.429 4.598 20 5 JJBDRN CC(C)(C)OC(=O)N(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCCCC1 ZINC001545783281 1067078230 /nfs/dbraw/zinc/07/82/30/1067078230.db2.gz LTNBURUNZUETJR-UHFFFAOYSA-N 0 0 456.543 4.833 20 5 JJBDRN Cc1cc(N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001458522399 1067079936 /nfs/dbraw/zinc/07/99/36/1067079936.db2.gz NKOQQWBAFCSURS-UHFFFAOYSA-N 0 0 454.449 4.658 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001450447087 1067080832 /nfs/dbraw/zinc/08/08/32/1067080832.db2.gz XXYWMKGIVMKVOL-URXFXBBRSA-N 0 0 458.555 4.817 20 5 JJBDRN CCOC(=O)c1sc(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)nc1C ZINC001458552068 1067087059 /nfs/dbraw/zinc/08/70/59/1067087059.db2.gz VIZBTKSEBAPPGF-UHFFFAOYSA-N 0 0 454.346 4.683 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001458579535 1067090411 /nfs/dbraw/zinc/09/04/11/1067090411.db2.gz LGWDUXIEJRGLAO-CMPLNLGQSA-N 0 0 457.371 4.753 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC001458585913 1067090730 /nfs/dbraw/zinc/09/07/30/1067090730.db2.gz ZIBKHWAGPNHSBJ-PWSUYJOCSA-N 0 0 457.371 4.753 20 5 JJBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001450554441 1067091039 /nfs/dbraw/zinc/09/10/39/1067091039.db2.gz OLMGEWOQLVEHNN-MRXNPFEDSA-N 0 0 454.358 4.540 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC001458603024 1067093040 /nfs/dbraw/zinc/09/30/40/1067093040.db2.gz DSMVTJQOXMMLSL-HXUWFJFHSA-N 0 0 454.365 4.975 20 5 JJBDRN O=C(Nc1ccc(C(F)(F)F)cc1Br)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001458609211 1067094310 /nfs/dbraw/zinc/09/43/10/1067094310.db2.gz LXANSXDWNCJZKI-OAHLLOKOSA-N 0 0 458.190 4.508 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(N2CCC(c3nc(C(C)(C)C)cs3)CC2)c([N+](=O)[O-])c1 ZINC001458614993 1067095979 /nfs/dbraw/zinc/09/59/79/1067095979.db2.gz GWPKPKZNZAFQET-UHFFFAOYSA-N 0 0 453.568 4.697 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])n2)CC1 ZINC001450617221 1067096368 /nfs/dbraw/zinc/09/63/68/1067096368.db2.gz ZXKUDLCFZCIDIM-UHFFFAOYSA-N 0 0 450.492 4.557 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450630927 1067097474 /nfs/dbraw/zinc/09/74/74/1067097474.db2.gz XWCGQWTZRZRISV-INIZCTEOSA-N 0 0 451.228 4.510 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC001458698001 1067111464 /nfs/dbraw/zinc/11/14/64/1067111464.db2.gz MVCHTLAPOMTUQI-UHFFFAOYSA-N 0 0 459.144 4.612 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC001458707918 1067113051 /nfs/dbraw/zinc/11/30/51/1067113051.db2.gz AUCDILPVJRMDRQ-UHFFFAOYSA-N 0 0 451.218 4.871 20 5 JJBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccc2c(c1)CCCC2 ZINC001458724650 1067118264 /nfs/dbraw/zinc/11/82/64/1067118264.db2.gz GETGMAVEQLJCNN-GFCCVEGCSA-N 0 0 450.276 4.569 20 5 JJBDRN COc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)cccc1[N+](=O)[O-] ZINC001458780398 1067143408 /nfs/dbraw/zinc/14/34/08/1067143408.db2.gz QKVGSBBDDXVPKW-UHFFFAOYSA-N 0 0 451.273 4.574 20 5 JJBDRN CN1CC[C@@H](CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)C1=O ZINC001458825228 1067158467 /nfs/dbraw/zinc/15/84/67/1067158467.db2.gz IXTFVBRMZCRSTQ-LBPRGKRZSA-N 0 0 450.442 4.523 20 5 JJBDRN CC(=O)N(c1nc(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1)c1ccc(C)c(C)c1 ZINC001458833735 1067162521 /nfs/dbraw/zinc/16/25/21/1067162521.db2.gz GGVUZDWNYPJODT-UHFFFAOYSA-N 0 0 459.549 4.635 20 5 JJBDRN Cc1ccc(C(=O)c2c(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)sc3c2CCOC3)cc1 ZINC001458841231 1067168251 /nfs/dbraw/zinc/16/82/51/1067168251.db2.gz YVWPTYMMDHMVED-UHFFFAOYSA-N 0 0 454.479 4.968 20 5 JJBDRN CCn1c(SCCCS(=O)(=O)c2ccc(C)cc2)nc2cc3ccccc3cc2c1=O ZINC001458860733 1067176686 /nfs/dbraw/zinc/17/66/86/1067176686.db2.gz PCKBGPBOFGUHFT-UHFFFAOYSA-N 0 0 452.601 4.834 20 5 JJBDRN CN(C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC(OC(C)(C)C)C1 ZINC001451703041 1067187672 /nfs/dbraw/zinc/18/76/72/1067187672.db2.gz XHNXWRYFRBVBHO-UHFFFAOYSA-N 0 0 459.930 4.919 20 5 JJBDRN C[C@@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001458937473 1067202985 /nfs/dbraw/zinc/20/29/85/1067202985.db2.gz XQNCUNJHXQEQHY-SECBINFHSA-N 0 0 454.842 4.620 20 5 JJBDRN CCC1(CC)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001546105195 1067212086 /nfs/dbraw/zinc/21/20/86/1067212086.db2.gz YIBTYOPITYDFBZ-UHFFFAOYSA-N 0 0 489.502 4.921 20 5 JJBDRN CCN(CC)C(=O)OCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001458970904 1067213744 /nfs/dbraw/zinc/21/37/44/1067213744.db2.gz VCVJRVUBVBEZQL-UHFFFAOYSA-N 0 0 456.282 4.969 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001452200276 1067213838 /nfs/dbraw/zinc/21/38/38/1067213838.db2.gz WISIJPUWAZWGTQ-AWEZNQCLSA-N 0 0 459.955 4.755 20 5 JJBDRN CCn1c(S[C@H](Cc2ccc(F)c(F)c2F)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458976684 1067215278 /nfs/dbraw/zinc/21/52/78/1067215278.db2.gz HQWNTQGDFTUIPV-MRXNPFEDSA-N 0 0 450.442 4.583 20 5 JJBDRN COCCc1ccccc1NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001459013956 1067229131 /nfs/dbraw/zinc/22/91/31/1067229131.db2.gz BRTASWMXGXIGKW-UHFFFAOYSA-N 0 0 450.516 4.989 20 5 JJBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC001452513238 1067230594 /nfs/dbraw/zinc/23/05/94/1067230594.db2.gz FDFXEFVMDUJVGX-UHFFFAOYSA-N 0 0 450.318 4.640 20 5 JJBDRN C[C@H](NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC001459027758 1067232216 /nfs/dbraw/zinc/23/22/16/1067232216.db2.gz GIMACYAJEYQODD-IZHWHUGBSA-N 0 0 453.495 4.958 20 5 JJBDRN C[C@H](NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC001459027771 1067232346 /nfs/dbraw/zinc/23/23/46/1067232346.db2.gz GIMACYAJEYQODD-OWJWWREXSA-N 0 0 453.495 4.958 20 5 JJBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001459029906 1067233312 /nfs/dbraw/zinc/23/33/12/1067233312.db2.gz FYHRBSNEOSIWEE-XIKOKIGWSA-N 0 0 453.720 4.542 20 5 JJBDRN O=[N+]([O-])c1cc(I)ccc1OCc1ccc(F)c(Br)c1 ZINC001459036323 1067235263 /nfs/dbraw/zinc/23/52/63/1067235263.db2.gz KQHIFEPDJFLCCF-UHFFFAOYSA-N 0 0 452.017 4.680 20 5 JJBDRN CCC[C@@H](NC(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC001459038969 1067236368 /nfs/dbraw/zinc/23/63/68/1067236368.db2.gz MIEMKVHAGAUANH-QGZVFWFLSA-N 0 0 458.312 4.942 20 5 JJBDRN O=[N+]([O-])c1cc(I)ccc1OCc1ccc(Cl)nc1C(F)(F)F ZINC001459040028 1067236944 /nfs/dbraw/zinc/23/69/44/1067236944.db2.gz SNFKABVSBDMJKG-UHFFFAOYSA-N 0 0 458.561 4.846 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001459112578 1067253084 /nfs/dbraw/zinc/25/30/84/1067253084.db2.gz PHLVTIXZDUIJSZ-SFHVURJKSA-N 0 0 459.502 4.827 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001459119662 1067254988 /nfs/dbraw/zinc/25/49/88/1067254988.db2.gz IGWFOKVMCBJYML-NRFANRHFSA-N 0 0 450.516 4.574 20 5 JJBDRN C[C@H](Sc1nccc(-c2ccc(Br)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459161898 1067264182 /nfs/dbraw/zinc/26/41/82/1067264182.db2.gz BSYMCTGJXGGEOZ-LBPRGKRZSA-N 0 0 459.325 4.934 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1cc(F)cc(Br)c1 ZINC001459170800 1067265510 /nfs/dbraw/zinc/26/55/10/1067265510.db2.gz YHITWUOMVZJFEI-UHFFFAOYSA-N 0 0 450.014 4.746 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC001459237699 1067275665 /nfs/dbraw/zinc/27/56/65/1067275665.db2.gz AUDOEJFAYLTQTD-HXUWFJFHSA-N 0 0 452.454 4.754 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001459237692 1067275718 /nfs/dbraw/zinc/27/57/18/1067275718.db2.gz AUDOEJFAYLTQTD-FQEVSTJZSA-N 0 0 452.454 4.754 20 5 JJBDRN COc1ncc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)c(C)c1Br ZINC001453118149 1067280322 /nfs/dbraw/zinc/28/03/22/1067280322.db2.gz OSXWBFIUKLLHGH-UHFFFAOYSA-N 0 0 453.051 4.768 20 5 JJBDRN COc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C(C)(C)C)c(OC)c1 ZINC001459268480 1067280561 /nfs/dbraw/zinc/28/05/61/1067280561.db2.gz LCZQFHKKWFGMNP-UHFFFAOYSA-N 0 0 451.317 4.815 20 5 JJBDRN COc1cc(C(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)c([N+](=O)[O-])cc1F ZINC001459295376 1067284392 /nfs/dbraw/zinc/28/43/92/1067284392.db2.gz JAFVMYBPPARHHE-UHFFFAOYSA-N 0 0 451.292 4.833 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc32)cc1OC ZINC001459340248 1067298486 /nfs/dbraw/zinc/29/84/86/1067298486.db2.gz VJGJXOYEYBTMMD-AWEZNQCLSA-N 0 0 458.898 4.926 20 5 JJBDRN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001453481451 1067308555 /nfs/dbraw/zinc/30/85/55/1067308555.db2.gz XBJRMDVUEFGGSG-INIZCTEOSA-N 0 0 455.255 4.628 20 5 JJBDRN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001459390768 1067311385 /nfs/dbraw/zinc/31/13/85/1067311385.db2.gz HXFMYQREZISTMI-VWLOTQADSA-N 0 0 455.518 4.901 20 5 JJBDRN COC(=O)c1c[nH]c2cc(NC(=O)c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)ccc12 ZINC001453602172 1067317395 /nfs/dbraw/zinc/31/73/95/1067317395.db2.gz GMSUUIBEXQSHOX-GASCZTMLSA-N 0 0 450.495 4.597 20 5 JJBDRN C[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@]1(C)CO ZINC001453683437 1067321852 /nfs/dbraw/zinc/32/18/52/1067321852.db2.gz CUDYWYSRZNLSCM-ALDSXWQDSA-N 0 0 451.548 4.612 20 5 JJBDRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001453682820 1067322026 /nfs/dbraw/zinc/32/20/26/1067322026.db2.gz BLODJJUWRUFSEF-HUUCEWRRSA-N 0 0 454.285 4.512 20 5 JJBDRN COc1cc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC001459451562 1067326375 /nfs/dbraw/zinc/32/63/75/1067326375.db2.gz HZQJIOUTOARYFE-UHFFFAOYSA-N 0 0 458.421 4.657 20 5 JJBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001459459880 1067328958 /nfs/dbraw/zinc/32/89/58/1067328958.db2.gz COTZWXMDFKEKPX-KRWDZBQOSA-N 0 0 459.506 4.624 20 5 JJBDRN CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001459464813 1067331634 /nfs/dbraw/zinc/33/16/34/1067331634.db2.gz IFDYLTHZLAKEMP-LJQANCHMSA-N 0 0 459.344 4.767 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459504987 1067340258 /nfs/dbraw/zinc/34/02/58/1067340258.db2.gz VEBNSEZKHIWORB-UHFFFAOYSA-N 0 0 450.470 4.945 20 5 JJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCSc2ccc(Br)cc21 ZINC001459587222 1067357874 /nfs/dbraw/zinc/35/78/74/1067357874.db2.gz HAQPYPZLPJVUHE-KRWDZBQOSA-N 0 0 450.358 4.773 20 5 JJBDRN Cn1cc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001459708929 1067390344 /nfs/dbraw/zinc/39/03/44/1067390344.db2.gz ANBQEADZGAWORR-UHFFFAOYSA-N 0 0 451.389 4.713 20 5 JJBDRN C[C@@H](CCc1ccc(I)cc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001459727830 1067397294 /nfs/dbraw/zinc/39/72/94/1067397294.db2.gz SISMZWDIFUBZIQ-NSHDSACASA-N 0 0 458.683 4.604 20 5 JJBDRN COc1ccc(-c2nc(C)c(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)s2)cc1 ZINC001459734721 1067399454 /nfs/dbraw/zinc/39/94/54/1067399454.db2.gz DEKAAPLQTWCWMB-UHFFFAOYSA-N 0 0 451.426 4.984 20 5 JJBDRN O=C(CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC001459744139 1067403092 /nfs/dbraw/zinc/40/30/92/1067403092.db2.gz VRIAHOVXDKZXHL-UHFFFAOYSA-N 0 0 457.889 4.907 20 5 JJBDRN Cc1c(NC(=O)c2cc(F)c(F)cc2Br)cc(Br)cc1[N+](=O)[O-] ZINC001459751383 1067406373 /nfs/dbraw/zinc/40/63/73/1067406373.db2.gz DWHDTUMVZAMKKS-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC001459756653 1067408889 /nfs/dbraw/zinc/40/88/89/1067408889.db2.gz NQBRGSRWDDRYNN-NSHDSACASA-N 0 0 452.330 4.743 20 5 JJBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCOc2cc(Cl)c(Cl)cc21 ZINC001459758157 1067409856 /nfs/dbraw/zinc/40/98/56/1067409856.db2.gz YNCWBVULRVXRFU-UHFFFAOYSA-N 0 0 451.184 4.882 20 5 JJBDRN Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)s1 ZINC001459758773 1067410250 /nfs/dbraw/zinc/41/02/50/1067410250.db2.gz DGSNAHLPJHFDPE-UHFFFAOYSA-N 0 0 451.277 4.884 20 5 JJBDRN CC(C)(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(OC(F)(F)F)cc1 ZINC001459801805 1067430302 /nfs/dbraw/zinc/43/03/02/1067430302.db2.gz UXTZQTUZSWSDKB-UHFFFAOYSA-N 0 0 451.445 4.761 20 5 JJBDRN COc1cccc([C@H]2C[C@H](C)CN2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818474 1067437277 /nfs/dbraw/zinc/43/72/77/1067437277.db2.gz KHZDUGYTDFCPAJ-YCRPNKLZSA-N 0 0 452.536 4.749 20 5 JJBDRN CCc1ccc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCC(=O)OC)C2)cc1 ZINC001459910323 1067485892 /nfs/dbraw/zinc/48/58/92/1067485892.db2.gz FMNPWHXNMRISNG-LJQANCHMSA-N 0 0 456.564 4.832 20 5 JJBDRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001459949490 1067503940 /nfs/dbraw/zinc/50/39/40/1067503940.db2.gz GYBLBYKECOXLDZ-UHFFFAOYSA-N 0 0 459.325 4.936 20 5 JJBDRN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001459952672 1067504886 /nfs/dbraw/zinc/50/48/86/1067504886.db2.gz PBRVVBHPCICGMM-CXAGYDPISA-N 0 0 450.276 4.813 20 5 JJBDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC001459963831 1067509262 /nfs/dbraw/zinc/50/92/62/1067509262.db2.gz WJWIAFSKRPKSFU-INIZCTEOSA-N 0 0 454.504 4.672 20 5 JJBDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC001459963837 1067509296 /nfs/dbraw/zinc/50/92/96/1067509296.db2.gz WJWIAFSKRPKSFU-MRXNPFEDSA-N 0 0 454.504 4.672 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1Cl ZINC001459990745 1067517669 /nfs/dbraw/zinc/51/76/69/1067517669.db2.gz WLOYYFBGAIDEKB-UHFFFAOYSA-N 0 0 456.955 4.897 20 5 JJBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001460082672 1067549481 /nfs/dbraw/zinc/54/94/81/1067549481.db2.gz QLRNPZARVPSHBB-SGTLLEGYSA-N 0 0 458.729 4.517 20 5 JJBDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460135502 1067561888 /nfs/dbraw/zinc/56/18/88/1067561888.db2.gz BEIOLWGCKUTAHN-SGTLLEGYSA-N 0 0 457.836 4.668 20 5 JJBDRN CCN(C[C@H](C)OC)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460144602 1067563832 /nfs/dbraw/zinc/56/38/32/1067563832.db2.gz XGHOAPBJRJQMKI-KKSFZXQISA-N 0 0 454.552 4.755 20 5 JJBDRN CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(SC)CCOCC2)CCS1 ZINC001546114708 1067581883 /nfs/dbraw/zinc/58/18/83/1067581883.db2.gz CQUPBUNWPDXYNQ-UHFFFAOYSA-N 0 0 491.683 4.878 20 5 JJBDRN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460240407 1067589130 /nfs/dbraw/zinc/58/91/30/1067589130.db2.gz NBIMDGMFKVQZNQ-GDBMZVCRSA-N 0 0 452.429 4.985 20 5 JJBDRN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460244363 1067589803 /nfs/dbraw/zinc/58/98/03/1067589803.db2.gz ANXSXUUOKGAVNL-QRWLVFNGSA-N 0 0 457.424 4.593 20 5 JJBDRN O=[N+]([O-])c1cccc([C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C(F)(F)F)c1F ZINC001460247794 1067590671 /nfs/dbraw/zinc/59/06/71/1067590671.db2.gz OECRGJIICKBWRV-CQSZACIVSA-N 0 0 452.158 4.798 20 5 JJBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460250735 1067591391 /nfs/dbraw/zinc/59/13/91/1067591391.db2.gz XFIRDKDXSRTSDV-MPBGBICISA-N 0 0 453.392 4.893 20 5 JJBDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460250740 1067591530 /nfs/dbraw/zinc/59/15/30/1067591530.db2.gz XFIRDKDXSRTSDV-ODXCJYRJSA-N 0 0 453.392 4.893 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC(c3cccc(F)c3F)CC2)c1 ZINC001460296821 1067600886 /nfs/dbraw/zinc/60/08/86/1067600886.db2.gz JGEIHFAUDGBSFT-UHFFFAOYSA-N 0 0 458.246 4.857 20 5 JJBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300943 1067601782 /nfs/dbraw/zinc/60/17/82/1067601782.db2.gz JSCISDQXNPZQFA-ZYSHUDEJSA-N 0 0 473.957 4.633 20 5 JJBDRN CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001460480126 1067642292 /nfs/dbraw/zinc/64/22/92/1067642292.db2.gz NKQABYCFLAAQJT-UHFFFAOYSA-N 0 0 452.736 4.752 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1ccc(Br)cc1Cl ZINC001460534080 1067652670 /nfs/dbraw/zinc/65/26/70/1067652670.db2.gz PZKHJLQTQRKGIA-UHFFFAOYSA-N 0 0 450.091 4.705 20 5 JJBDRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001460574199 1067659088 /nfs/dbraw/zinc/65/90/88/1067659088.db2.gz CEUHKJKCJKFZOB-RBUKOAKNSA-N 0 0 453.857 4.950 20 5 JJBDRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001460614362 1067673088 /nfs/dbraw/zinc/67/30/88/1067673088.db2.gz UIFDYNLDOLNDEP-KAMYIIQDSA-N 0 0 459.458 4.676 20 5 JJBDRN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)OC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460614553 1067673532 /nfs/dbraw/zinc/67/35/32/1067673532.db2.gz AOCSKOFKJQHLCT-UHFFFAOYSA-N 0 0 454.822 4.972 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)OCc3ccc(S(C)(=O)=O)cc3)cc2[N+](=O)[O-])cc1 ZINC001460665224 1067693049 /nfs/dbraw/zinc/69/30/49/1067693049.db2.gz PKIFVROAWNKQQK-UHFFFAOYSA-N 0 0 457.529 4.815 20 5 JJBDRN COC(=O)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001460677525 1067698157 /nfs/dbraw/zinc/69/81/57/1067698157.db2.gz UMAXVQXFKIYIGQ-KUHUBIRLSA-N 0 0 456.882 4.589 20 5 JJBDRN O=C(NC1CC1)OC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001460681655 1067699671 /nfs/dbraw/zinc/69/96/71/1067699671.db2.gz JLSBGWHYSYMOMU-LJQANCHMSA-N 0 0 455.536 4.629 20 5 JJBDRN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC001460734937 1067712201 /nfs/dbraw/zinc/71/22/01/1067712201.db2.gz YCXFTHNJCZLRPH-KRWDZBQOSA-N 0 0 450.491 4.990 20 5 JJBDRN O=C(OCc1cc(Cl)cc(Br)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001460788705 1067723978 /nfs/dbraw/zinc/72/39/78/1067723978.db2.gz BUNZOJDBICJXKF-UHFFFAOYSA-N 0 0 454.639 4.693 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)c1 ZINC001460833457 1067731436 /nfs/dbraw/zinc/73/14/36/1067731436.db2.gz WFOUMKOLLMDQIV-UHFFFAOYSA-N 0 0 450.538 4.659 20 5 JJBDRN Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001460842169 1067732820 /nfs/dbraw/zinc/73/28/20/1067732820.db2.gz RHFBEEQNFSTRFY-UHFFFAOYSA-N 0 0 458.099 4.732 20 5 JJBDRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001460886705 1067743071 /nfs/dbraw/zinc/74/30/71/1067743071.db2.gz NUIJTXHTFXOUQA-KRWDZBQOSA-N 0 0 454.239 4.624 20 5 JJBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCSC2(CCC2)CC1 ZINC001460887005 1067743088 /nfs/dbraw/zinc/74/30/88/1067743088.db2.gz GKMGLUYANZAYAX-UHFFFAOYSA-N 0 0 457.518 4.718 20 5 JJBDRN Cc1cc(Br)c(F)c(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC001460913447 1067747072 /nfs/dbraw/zinc/74/70/72/1067747072.db2.gz HZAVFQFMIBGPTC-CQSZACIVSA-N 0 0 453.161 4.977 20 5 JJBDRN CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001460994557 1067759319 /nfs/dbraw/zinc/75/93/19/1067759319.db2.gz BORQXRZWRGUOPG-UHFFFAOYSA-N 0 0 456.543 4.630 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)COc3cccc(Cl)c3Cl)cs2)c1 ZINC001461109538 1067783395 /nfs/dbraw/zinc/78/33/95/1067783395.db2.gz HODXLMBXYWDEDY-OAHLLOKOSA-N 0 0 454.335 4.555 20 5 JJBDRN COc1cc(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461109839 1067783778 /nfs/dbraw/zinc/78/37/78/1067783778.db2.gz ZPQPLLPGIGXLLA-CRAIPNDOSA-N 0 0 459.568 4.927 20 5 JJBDRN O=C(NC1(c2ccccc2Br)CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC001461304486 1067823461 /nfs/dbraw/zinc/82/34/61/1067823461.db2.gz BOMYAADXHNXUQY-UHFFFAOYSA-N 0 0 454.118 4.929 20 5 JJBDRN CS(=O)(=O)c1ccccc1-n1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC001461351864 1067836350 /nfs/dbraw/zinc/83/63/50/1067836350.db2.gz AJQBWJRLSWWLBI-UHFFFAOYSA-N 0 0 454.533 4.525 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C12CCCC2 ZINC001461364342 1067838953 /nfs/dbraw/zinc/83/89/53/1067838953.db2.gz OJQMQUMLLDVMCE-GOSISDBHSA-N 0 0 451.951 4.619 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C12CCCC2 ZINC001461364344 1067838974 /nfs/dbraw/zinc/83/89/74/1067838974.db2.gz OJQMQUMLLDVMCE-SFHVURJKSA-N 0 0 451.951 4.619 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2[N+](=O)[O-])C1 ZINC001461409614 1067848737 /nfs/dbraw/zinc/84/87/37/1067848737.db2.gz JSLBNUSSIDVGKZ-HOTGVXAUSA-N 0 0 451.552 4.772 20 5 JJBDRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001461435382 1067855776 /nfs/dbraw/zinc/85/57/76/1067855776.db2.gz XOLFEAZAVOZGNY-ORAYPTAESA-N 0 0 465.319 4.763 20 5 JJBDRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 ZINC001461452430 1067860389 /nfs/dbraw/zinc/86/03/89/1067860389.db2.gz UBBZJCRVPZGGIE-HSZRJFAPSA-N 0 0 454.486 4.951 20 5 JJBDRN O=C(N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)c1cccc([N+](=O)[O-])c1Br ZINC001461470430 1067865781 /nfs/dbraw/zinc/86/57/81/1067865781.db2.gz KIVGPRDSJNDJAU-IBGZPJMESA-N 0 0 453.720 4.532 20 5 JJBDRN C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001461480493 1067870527 /nfs/dbraw/zinc/87/05/27/1067870527.db2.gz UEGPMNAIRAWZKE-SAWYMBPVSA-N 0 0 471.529 4.747 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ncc(F)cc3Br)cc2[N+](=O)[O-])C1 ZINC001461553195 1067887243 /nfs/dbraw/zinc/88/72/43/1067887243.db2.gz TWGOTOYVSOFJGU-VXGBXAGGSA-N 0 0 451.296 4.626 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N3C[C@H](c4cccc(F)c4)OCC3(C)C)cc2[N+](=O)[O-])CC1 ZINC001461612282 1067901653 /nfs/dbraw/zinc/90/16/53/1067901653.db2.gz DJAQOVUMAIHHSE-HSZRJFAPSA-N 0 0 455.530 4.963 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Br)c2ncccc12 ZINC001461623677 1067903704 /nfs/dbraw/zinc/90/37/04/1067903704.db2.gz CAAODXDQOOFYAQ-UHFFFAOYSA-N 0 0 450.676 4.967 20 5 JJBDRN Cn1cc(C(=O)N2CC(C)(C)c3ccc(Br)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001461629462 1067905573 /nfs/dbraw/zinc/90/55/73/1067905573.db2.gz NFHIQGILCYFTGR-UHFFFAOYSA-N 0 0 455.312 4.696 20 5 JJBDRN C[C@@H](C(=O)N1CCCc2cccc(CNC(=O)OC(C)(C)C)c21)c1ccc([N+](=O)[O-])cc1F ZINC001461630608 1067905644 /nfs/dbraw/zinc/90/56/44/1067905644.db2.gz JCOUTDWXNRXNMW-OAHLLOKOSA-N 0 0 457.502 4.842 20 5 JJBDRN C[C@@H]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001461652028 1067910142 /nfs/dbraw/zinc/91/01/42/1067910142.db2.gz NSNYQMWVWSUSMG-VQIMIIECSA-N 0 0 451.539 4.599 20 5 JJBDRN O=C(Nc1cccc(Sc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001461669690 1067914995 /nfs/dbraw/zinc/91/49/95/1067914995.db2.gz NTHUOJNDXCVRFK-OAHLLOKOSA-N 0 0 451.479 4.877 20 5 JJBDRN Cc1cccc(-c2ccc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)nc2)c1 ZINC001461689511 1067918677 /nfs/dbraw/zinc/91/86/77/1067918677.db2.gz UEMYQDKPVWRMMC-UHFFFAOYSA-N 0 0 459.243 4.822 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461707032 1067922671 /nfs/dbraw/zinc/92/26/71/1067922671.db2.gz UGMIPZXYKUZFIC-CKJXQJPGSA-N 0 0 454.527 4.897 20 5 JJBDRN COc1ccc(-c2ccc(CNc3ccc(S(=O)(=O)NC(C)(C)C)cc3)o2)c([N+](=O)[O-])c1 ZINC001461739697 1067928550 /nfs/dbraw/zinc/92/85/50/1067928550.db2.gz BENNJHDZCXLMBV-UHFFFAOYSA-N 0 0 459.524 4.552 20 5 JJBDRN COc1c(O)ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001461897528 1067956980 /nfs/dbraw/zinc/95/69/80/1067956980.db2.gz IRDRXVUVENYVOY-INIZCTEOSA-N 0 0 454.310 4.609 20 5 JJBDRN O=C(Nc1cc(F)c(Cl)cc1I)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001461943007 1067965474 /nfs/dbraw/zinc/96/54/74/1067965474.db2.gz BARZSCOWAJZWSW-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN O=C(Nc1cc(F)c(Cl)cc1I)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001461943886 1067965990 /nfs/dbraw/zinc/96/59/90/1067965990.db2.gz FKRYNYGHDACQIE-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001461973951 1067972994 /nfs/dbraw/zinc/97/29/94/1067972994.db2.gz HSYWZBAPBCRTGA-ZIAGYGMSSA-N 0 0 452.157 4.816 20 5 JJBDRN Cc1cc(Br)c2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC001462129920 1068012102 /nfs/dbraw/zinc/01/21/02/1068012102.db2.gz UUWSYRVPUVCKAK-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN O=C(OCc1cc(F)c(Br)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001462203180 1068028392 /nfs/dbraw/zinc/02/83/92/1068028392.db2.gz LMUYWJMELUYXGA-UHFFFAOYSA-N 0 0 455.255 4.983 20 5 JJBDRN O=C(OCc1cc(F)c(Br)cc1F)c1cc([N+](=O)[O-])ccc1Br ZINC001462202023 1068028455 /nfs/dbraw/zinc/02/84/55/1068028455.db2.gz IKVCTPNYZSLPHC-UHFFFAOYSA-N 0 0 451.017 4.755 20 5 JJBDRN Cc1c(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001462229551 1068033844 /nfs/dbraw/zinc/03/38/44/1068033844.db2.gz SFAGLOKPTAYGDS-JOCHJYFZSA-N 0 0 457.893 4.514 20 5 JJBDRN CC[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001462293906 1068045713 /nfs/dbraw/zinc/04/57/13/1068045713.db2.gz JZEITJYNVCPLNN-OAHLLOKOSA-N 0 0 455.433 4.700 20 5 JJBDRN COc1cc(C(=O)N2C[C@H](C)Cc3cccc(F)c32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001462310535 1068048717 /nfs/dbraw/zinc/04/87/17/1068048717.db2.gz CCWXXOGHWZJNGV-CYBMUJFWSA-N 0 0 457.483 4.617 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CCOCC1 ZINC001546130838 1068051625 /nfs/dbraw/zinc/05/16/25/1068051625.db2.gz GBUYNBPDZIZYSL-CALCHBBNSA-N 0 0 463.529 4.788 20 5 JJBDRN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](c2ccc(Br)c(Cl)c2)C(F)(F)F)n1 ZINC001462328399 1068052194 /nfs/dbraw/zinc/05/21/94/1068052194.db2.gz NAZFTDYSQZNLHL-LBPRGKRZSA-N 0 0 456.602 4.688 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC001462514465 1068089306 /nfs/dbraw/zinc/08/93/06/1068089306.db2.gz SKWQXGDCSYXKTE-UHFFFAOYSA-N 0 0 454.664 4.646 20 5 JJBDRN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001462565453 1068099095 /nfs/dbraw/zinc/09/90/95/1068099095.db2.gz FMIUZNCPJKGHQG-MAUKXSAKSA-N 0 0 459.905 4.535 20 5 JJBDRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1OC ZINC001462583815 1068104362 /nfs/dbraw/zinc/10/43/62/1068104362.db2.gz VHHKPSFDQQTKPJ-YQOVMPOYSA-N 0 0 453.539 4.561 20 5 JJBDRN Cc1c(C)c(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1I ZINC001462597850 1068108794 /nfs/dbraw/zinc/10/87/94/1068108794.db2.gz VMVKTERSEGBKET-LLVKDONJSA-N 0 0 453.280 4.645 20 5 JJBDRN O=C(NCC1(c2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC001462635211 1068119406 /nfs/dbraw/zinc/11/94/06/1068119406.db2.gz QGEBSUGZSLAYHO-UHFFFAOYSA-N 0 0 454.118 4.581 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC001462716472 1068140550 /nfs/dbraw/zinc/14/05/50/1068140550.db2.gz RRWSPMCUWDCMEP-UHFFFAOYSA-N 0 0 452.897 4.638 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001462750525 1068155161 /nfs/dbraw/zinc/15/51/61/1068155161.db2.gz LMFPNYNXRNIZTE-UHFFFAOYSA-N 0 0 454.504 4.831 20 5 JJBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC001462774709 1068164391 /nfs/dbraw/zinc/16/43/91/1068164391.db2.gz CXVIAIXBRFNTKY-UHFFFAOYSA-N 0 0 455.561 4.875 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC001462787934 1068167479 /nfs/dbraw/zinc/16/74/79/1068167479.db2.gz KAGQBJCRWPJXPP-GFCCVEGCSA-N 0 0 453.314 4.794 20 5 JJBDRN CCc1ccc(CN(C2CC2)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC001462833826 1068183816 /nfs/dbraw/zinc/18/38/16/1068183816.db2.gz SPLCCTSHDKWBCE-UHFFFAOYSA-N 0 0 453.358 4.581 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001462838508 1068185878 /nfs/dbraw/zinc/18/58/78/1068185878.db2.gz TYERIAQNOCWWHA-UHFFFAOYSA-N 0 0 452.410 4.884 20 5 JJBDRN Cc1cc(C)c(S(=O)(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC001462887831 1068203938 /nfs/dbraw/zinc/20/39/38/1068203938.db2.gz QJKPXNBVLLQSKZ-UHFFFAOYSA-N 0 0 456.568 4.635 20 5 JJBDRN Cc1sc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc1-c1ccc(Cl)cc1 ZINC001462904473 1068210377 /nfs/dbraw/zinc/21/03/77/1068210377.db2.gz BQWSTOSPYAZHHD-UHFFFAOYSA-N 0 0 451.957 4.775 20 5 JJBDRN O=[N+]([O-])c1cc(-c2ccccc2)ccc1OS(=O)(=O)c1cccc(Br)c1F ZINC001462907196 1068211083 /nfs/dbraw/zinc/21/10/83/1068211083.db2.gz IKIZUKISSRVKRX-UHFFFAOYSA-N 0 0 452.257 4.931 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC001462956704 1068229622 /nfs/dbraw/zinc/22/96/22/1068229622.db2.gz YKTIERJOPOZTOF-UHFFFAOYSA-N 0 0 453.731 4.611 20 5 JJBDRN CC(C)(CCC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)[N+](=O)[O-] ZINC001463017055 1068253137 /nfs/dbraw/zinc/25/31/37/1068253137.db2.gz QYOAYODOKGSRHL-UHFFFAOYSA-N 0 0 452.408 4.611 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(Cl)c1 ZINC001463049451 1068265488 /nfs/dbraw/zinc/26/54/88/1068265488.db2.gz RGRMEGYWSXRSST-JOCHJYFZSA-N 0 0 458.923 4.641 20 5 JJBDRN CSc1ccc(Br)cc1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001463119958 1068293825 /nfs/dbraw/zinc/29/38/25/1068293825.db2.gz MBZGQUBCMZNHCH-UHFFFAOYSA-N 0 0 455.349 4.855 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1F ZINC001463156599 1068306323 /nfs/dbraw/zinc/30/63/23/1068306323.db2.gz MUHOPZMHIDREKJ-UHFFFAOYSA-N 0 0 455.511 4.648 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC001463189923 1068315071 /nfs/dbraw/zinc/31/50/71/1068315071.db2.gz HECJQTMGRBAGAN-UHFFFAOYSA-N 0 0 455.330 4.747 20 5 JJBDRN Cc1cc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC001463192582 1068315968 /nfs/dbraw/zinc/31/59/68/1068315968.db2.gz IXOKZWFSQMHHNO-UHFFFAOYSA-N 0 0 452.410 4.591 20 5 JJBDRN COC(=O)c1cc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2s1 ZINC001463215462 1068322750 /nfs/dbraw/zinc/32/27/50/1068322750.db2.gz OYZASBQOOZISEJ-UHFFFAOYSA-N 0 0 454.382 4.790 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463239840 1068331789 /nfs/dbraw/zinc/33/17/89/1068331789.db2.gz XQQIOAIYSIJAMZ-MRXNPFEDSA-N 0 0 459.351 4.751 20 5 JJBDRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC001463248351 1068333956 /nfs/dbraw/zinc/33/39/56/1068333956.db2.gz KGJRVTACNFMAGS-HSZRJFAPSA-N 0 0 457.527 4.800 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001463260537 1068337273 /nfs/dbraw/zinc/33/72/73/1068337273.db2.gz RNDWUYZENLSNHT-QUCCMNQESA-N 0 0 456.495 4.636 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC001463282403 1068343687 /nfs/dbraw/zinc/34/36/87/1068343687.db2.gz PYZYDGYBVSYBAV-FQEVSTJZSA-N 0 0 458.923 4.745 20 5 JJBDRN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001463354459 1068368583 /nfs/dbraw/zinc/36/85/83/1068368583.db2.gz AHSNAOFPDIIADH-DFBJGRDBSA-N 0 0 450.560 4.546 20 5 JJBDRN Cc1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC001463422585 1068392761 /nfs/dbraw/zinc/39/27/61/1068392761.db2.gz YPSVNUQMIKQBNV-UHFFFAOYSA-N 0 0 453.344 4.561 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001463427761 1068393979 /nfs/dbraw/zinc/39/39/79/1068393979.db2.gz BNMMZHHKJOPKQX-JKSUJKDBSA-N 0 0 458.458 4.579 20 5 JJBDRN Cc1cc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)cc1[N+](=O)[O-] ZINC001463452112 1068402068 /nfs/dbraw/zinc/40/20/68/1068402068.db2.gz HIXQGQXOIGWABA-UHFFFAOYSA-N 0 0 452.916 4.898 20 5 JJBDRN CCc1ccc(S(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC001463501813 1068421250 /nfs/dbraw/zinc/42/12/50/1068421250.db2.gz GEYKYRHENCJQKV-OAHLLOKOSA-N 0 0 456.364 4.758 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](CC)Cc1ccccc1Br ZINC001463557306 1068440969 /nfs/dbraw/zinc/44/09/69/1068440969.db2.gz YNYJYCSVNHIRBN-MRXNPFEDSA-N 0 0 455.374 4.562 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1Cl ZINC001463604241 1068462451 /nfs/dbraw/zinc/46/24/51/1068462451.db2.gz SJWVIKIQJLMLPB-UHFFFAOYSA-N 0 0 451.278 4.690 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001463641556 1068478880 /nfs/dbraw/zinc/47/88/80/1068478880.db2.gz QTAFNFKHMMTIRN-INIZCTEOSA-N 0 0 458.458 4.928 20 5 JJBDRN COc1ccccc1[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001463680946 1068491787 /nfs/dbraw/zinc/49/17/87/1068491787.db2.gz OEAAZVRBRJXQNN-CXAGYDPISA-N 0 0 458.458 4.784 20 5 JJBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(-c2cccc(Cl)c2)on1 ZINC001463727188 1068505743 /nfs/dbraw/zinc/50/57/43/1068505743.db2.gz HHBZMOJWAJDEDU-UHFFFAOYSA-N 0 0 454.792 4.764 20 5 JJBDRN O=C(Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1nc2cnccc2s1 ZINC001463743116 1068509941 /nfs/dbraw/zinc/50/99/41/1068509941.db2.gz SJDGJUCTCGQFDQ-UHFFFAOYSA-N 0 0 454.851 4.724 20 5 JJBDRN CC(C)OC(=O)C[C@H](NC(=O)c1cccc(Nc2nccs2)c1)c1ccccc1[N+](=O)[O-] ZINC001463781343 1068522613 /nfs/dbraw/zinc/52/26/13/1068522613.db2.gz BXYIYPOMCLHDSN-SFHVURJKSA-N 0 0 454.508 4.608 20 5 JJBDRN COc1ccc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC001463857889 1068549099 /nfs/dbraw/zinc/54/90/99/1068549099.db2.gz CSXGUFYYEAADRH-UHFFFAOYSA-N 0 0 450.289 4.522 20 5 JJBDRN CCC(CC)[C@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC001463869643 1068551290 /nfs/dbraw/zinc/55/12/90/1068551290.db2.gz CEFRMFMYHFXKLU-NRFANRHFSA-N 0 0 457.596 4.613 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC(c3cccc(F)c3F)CC2)c1Cl ZINC001463963133 1068576048 /nfs/dbraw/zinc/57/60/48/1068576048.db2.gz YOAQYSHFXAYISD-UHFFFAOYSA-N 0 0 451.278 4.748 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC001464111744 1068618817 /nfs/dbraw/zinc/61/88/17/1068618817.db2.gz BMPHTOIEFKRIIG-UHFFFAOYSA-N 0 0 457.733 4.560 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2cc(C(F)(F)F)ccc2Br)c(F)cc1[N+](=O)[O-] ZINC001464137003 1068629881 /nfs/dbraw/zinc/62/98/81/1068629881.db2.gz SSCBVIVWENAYTL-UHFFFAOYSA-N 0 0 458.183 4.591 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC001464181864 1068645684 /nfs/dbraw/zinc/64/56/84/1068645684.db2.gz PJDIXNWXMOLTMY-UHFFFAOYSA-N 0 0 457.533 4.760 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N2CC(C)(C)c3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001464209639 1068659309 /nfs/dbraw/zinc/65/93/09/1068659309.db2.gz FZQVFPUZJPHXCA-UHFFFAOYSA-N 0 0 459.749 4.806 20 5 JJBDRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464236106 1068668529 /nfs/dbraw/zinc/66/85/29/1068668529.db2.gz IGHHEINHXZVISZ-WCQYABFASA-N 0 0 459.749 4.577 20 5 JJBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001464253972 1068677147 /nfs/dbraw/zinc/67/71/47/1068677147.db2.gz ODBQZTPNPOXFBB-QGZVFWFLSA-N 0 0 459.749 4.678 20 5 JJBDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)CC2)cc1Cl ZINC001464256131 1068677854 /nfs/dbraw/zinc/67/78/54/1068677854.db2.gz VDLSFSYEEJHWQZ-UHFFFAOYSA-N 0 0 451.310 4.508 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001464288194 1068692172 /nfs/dbraw/zinc/69/21/72/1068692172.db2.gz KMJCJRVHRBGFFM-CQSZACIVSA-N 0 0 452.294 4.538 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001464294904 1068695623 /nfs/dbraw/zinc/69/56/23/1068695623.db2.gz ZQVQDMFANWQLRE-INIZCTEOSA-N 0 0 450.413 4.913 20 5 JJBDRN CCON([C@@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC001464330932 1068708461 /nfs/dbraw/zinc/70/84/61/1068708461.db2.gz IGTKQCZAYFCMMP-ZDUSSCGKSA-N 0 0 457.346 4.623 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)c1sc2ccccc2c1Cl ZINC001464392308 1068729271 /nfs/dbraw/zinc/72/92/71/1068729271.db2.gz QPNOJNXZUYLZNJ-UHFFFAOYSA-N 0 0 459.332 4.586 20 5 JJBDRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2Cl)n1 ZINC001464484172 1068763105 /nfs/dbraw/zinc/76/31/05/1068763105.db2.gz GTZJMVAKSLSIPK-OAHLLOKOSA-N 0 0 455.902 4.822 20 5 JJBDRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001464567310 1068784089 /nfs/dbraw/zinc/78/40/89/1068784089.db2.gz XHDMLNUQNIDVRL-KUHUBIRLSA-N 0 0 451.292 4.736 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001464596233 1068794300 /nfs/dbraw/zinc/79/43/00/1068794300.db2.gz AXNQKOHHOSRJNI-QGZVFWFLSA-N 0 0 458.522 4.744 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)Oc2cnc3cccc(Br)c3c2)cc1[N+](=O)[O-] ZINC001464645026 1068809804 /nfs/dbraw/zinc/80/98/04/1068809804.db2.gz YTLNPZUUSMJKKR-UHFFFAOYSA-N 0 0 457.689 4.635 20 5 JJBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]12 ZINC001164405117 718849494 /nfs/dbraw/zinc/84/94/94/718849494.db2.gz KWNAMCNENJEEJL-DLBZAZTESA-N 0 0 456.836 4.666 20 5 JJBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]12 ZINC001164407562 718849933 /nfs/dbraw/zinc/84/99/33/718849933.db2.gz PVZSHAIQTSRGSR-JKSUJKDBSA-N 0 0 456.836 4.666 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164658992 719353825 /nfs/dbraw/zinc/35/38/25/719353825.db2.gz OWOCEPWAABAMII-UHFFFAOYSA-N 0 0 495.587 4.747 20 5 JJBDRN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)ccc21 ZINC001164673417 719512100 /nfs/dbraw/zinc/51/21/00/719512100.db2.gz SRCJNNDLUGOHHJ-UHFFFAOYSA-N 0 0 470.932 4.807 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5ccnc5)c4C3)cnc2Cl)c1 ZINC001164676862 719568218 /nfs/dbraw/zinc/56/82/18/719568218.db2.gz PYDYFLQRFGMTGC-UHFFFAOYSA-N 0 0 486.866 4.651 20 5 JJBDRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1Cc1cccnc1 ZINC001164690579 719777639 /nfs/dbraw/zinc/77/76/39/719777639.db2.gz FEXISDMLKXEADY-LEWJYISDSA-N 0 0 499.905 4.630 20 5 JJBDRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC3)cs1 ZINC001164691490 719805793 /nfs/dbraw/zinc/80/57/93/719805793.db2.gz IFFITVKXAGRMRR-UHFFFAOYSA-N 0 0 457.934 4.588 20 5 JJBDRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164849984 720759725 /nfs/dbraw/zinc/75/97/25/720759725.db2.gz VHMWTDCVXNZHOS-WIYYLYMNSA-N 0 0 464.900 4.883 20 5 JJBDRN Cc1nc([C@H]2COCCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)cs1 ZINC001164749403 720865699 /nfs/dbraw/zinc/86/56/99/720865699.db2.gz NECVVZYWUIWPKR-QGZVFWFLSA-N 0 0 467.885 4.593 20 5 JJBDRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC2)N1CC1CC1 ZINC001164778919 721307354 /nfs/dbraw/zinc/30/73/54/721307354.db2.gz ZUJLLKBCILYOTQ-UHFFFAOYSA-N 0 0 491.926 4.622 20 5 JJBDRN O=C1CCC2(CCN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)CC2)N1CC1CC1 ZINC001164776631 721307404 /nfs/dbraw/zinc/30/74/04/721307404.db2.gz ODZBRIHJCDTUPD-UHFFFAOYSA-N 0 0 491.926 4.622 20 5 JJBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1 ZINC001164783181 721375622 /nfs/dbraw/zinc/37/56/22/721375622.db2.gz OCJJGIXOAKBLEL-XMMPIXPASA-N 0 0 485.972 4.520 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)cnc2Cl)c1 ZINC001164802050 721600290 /nfs/dbraw/zinc/60/02/90/721600290.db2.gz QKBHTYYAWHTPFY-UHFFFAOYSA-N 0 0 489.910 4.998 20 5 JJBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2 ZINC001164910079 721755894 /nfs/dbraw/zinc/75/58/94/721755894.db2.gz LATULDPPGXAAJP-UHFFFAOYSA-N 0 0 463.925 4.979 20 5 JJBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001164911816 721765300 /nfs/dbraw/zinc/76/53/00/721765300.db2.gz SEABIXUQAJBHPQ-UHFFFAOYSA-N 0 0 455.518 4.840 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCc4ncnc(C5CC5)c4CC3)c(Cl)nn2)c1 ZINC001164916221 721804324 /nfs/dbraw/zinc/80/43/24/721804324.db2.gz OULLZEMQFHLHIZ-UHFFFAOYSA-N 0 0 472.883 4.523 20 5 JJBDRN O=C(C1=CC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)c2ccccc21)N1CCCC1 ZINC001164927561 721899359 /nfs/dbraw/zinc/89/93/59/721899359.db2.gz JIRQUTLOAAUTLJ-UHFFFAOYSA-N 0 0 488.922 4.746 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cnc1Cl ZINC001165044114 721939485 /nfs/dbraw/zinc/93/94/85/721939485.db2.gz INCKUSSQEVZDKO-UHFFFAOYSA-N 0 0 454.264 4.716 20 5 JJBDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCCC2)C1 ZINC001359729095 1064278477 /nfs/dbraw/zinc/27/84/77/1064278477.db2.gz SCCCLJULXBTEFP-NRFANRHFSA-N 0 0 468.602 4.518 20 5 JJBDRN CC(C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359738712 1064303134 /nfs/dbraw/zinc/30/31/34/1064303134.db2.gz BHANSLKCVXQXAU-CTNGQTDRSA-N 0 0 498.628 4.983 20 5 JJBDRN CCOc1cc(Br)c(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1OCC ZINC001434869557 1064306668 /nfs/dbraw/zinc/30/66/68/1064306668.db2.gz IPWBYKWOCPZBGT-UHFFFAOYSA-N 0 0 455.280 4.865 20 5 JJBDRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(I)cc(C(F)(F)F)c1 ZINC001434894789 1064323236 /nfs/dbraw/zinc/32/32/36/1064323236.db2.gz RKRNAFFWHJBUFY-UHFFFAOYSA-N 0 0 451.138 4.575 20 5 JJBDRN CCOC(=O)N=c1[nH]c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2s1 ZINC001434905612 1064333307 /nfs/dbraw/zinc/33/33/07/1064333307.db2.gz SOFVTQDVPLYQNR-UHFFFAOYSA-N 0 0 452.851 4.747 20 5 JJBDRN CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001359756905 1064355570 /nfs/dbraw/zinc/35/55/70/1064355570.db2.gz ACHGVNSQBQONTI-RXVVDRJESA-N 0 0 470.961 4.599 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c1F ZINC001434962466 1064378125 /nfs/dbraw/zinc/37/81/25/1064378125.db2.gz JLVOGEUWOZQKKJ-OAQYLSRUSA-N 0 0 451.429 4.782 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC001434982365 1064398934 /nfs/dbraw/zinc/39/89/34/1064398934.db2.gz TUWOARRJWZBBRH-UHFFFAOYSA-N 0 0 453.720 4.755 20 5 JJBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCc2cc(Br)cc(F)c21 ZINC001434984600 1064401055 /nfs/dbraw/zinc/40/10/55/1064401055.db2.gz BVNDYBQNPKXCMF-UHFFFAOYSA-N 0 0 458.081 4.852 20 5 JJBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC001435009899 1064425136 /nfs/dbraw/zinc/42/51/36/1064425136.db2.gz UJIWQMZRQQIDHY-UHFFFAOYSA-N 0 0 458.873 4.704 20 5 JJBDRN Cc1cc(F)cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001435015519 1064432509 /nfs/dbraw/zinc/43/25/09/1064432509.db2.gz BVELCQDGDKYIBE-BETUJISGSA-N 0 0 455.408 4.927 20 5 JJBDRN CC(C)Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001359784173 1064437099 /nfs/dbraw/zinc/43/70/99/1064437099.db2.gz UGBOALNNBPFTLR-UHFFFAOYSA-N 0 0 466.586 4.684 20 5 JJBDRN O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001359798247 1064461312 /nfs/dbraw/zinc/46/13/12/1064461312.db2.gz WJQRRKIPHUDWAE-UHFFFAOYSA-N 0 0 453.495 4.974 20 5 JJBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048523 1064465708 /nfs/dbraw/zinc/46/57/08/1064465708.db2.gz DIXOAVGHIUFILU-QVKFZJNVSA-N 0 0 458.946 4.632 20 5 JJBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048528 1064465713 /nfs/dbraw/zinc/46/57/13/1064465713.db2.gz DLKQKKGDECWBJL-QVKFZJNVSA-N 0 0 458.946 4.632 20 5 JJBDRN O=C(Nc1nc2ccccc2n1CCCn1ccnc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001435050722 1064469288 /nfs/dbraw/zinc/46/92/88/1064469288.db2.gz BDFISOOAOTZMJN-UHFFFAOYSA-N 0 0 458.400 4.502 20 5 JJBDRN Cc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 ZINC001435051493 1064470049 /nfs/dbraw/zinc/47/00/49/1064470049.db2.gz RIYUBUOTMYFZKR-UHFFFAOYSA-N 0 0 452.292 4.524 20 5 JJBDRN CC[C@H](C)n1c(SCC(=O)N2CCCc3ccc([N+](=O)[O-])cc32)nnc1-c1ccccc1 ZINC001359814191 1064491185 /nfs/dbraw/zinc/49/11/85/1064491185.db2.gz XIIVESDKDHIQET-INIZCTEOSA-N 0 0 451.552 4.896 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001435075327 1064497248 /nfs/dbraw/zinc/49/72/48/1064497248.db2.gz LSYILFNZORTPRA-JOCHJYFZSA-N 0 0 459.502 4.980 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC001435075330 1064497266 /nfs/dbraw/zinc/49/72/66/1064497266.db2.gz LSYILFNZORTPRA-QFIPXVFZSA-N 0 0 459.502 4.980 20 5 JJBDRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc1 ZINC001435076891 1064499941 /nfs/dbraw/zinc/49/99/41/1064499941.db2.gz HSVOULGRKGQIGJ-UHFFFAOYSA-N 0 0 450.491 4.772 20 5 JJBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435094316 1064510131 /nfs/dbraw/zinc/51/01/31/1064510131.db2.gz FHUUBKNFYXOSBS-CYBMUJFWSA-N 0 0 458.458 4.703 20 5 JJBDRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1-n1cccc1 ZINC001359839371 1064525801 /nfs/dbraw/zinc/52/58/01/1064525801.db2.gz KPNCCQAQRUDRQC-UHFFFAOYSA-N 0 0 458.440 4.675 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCSC[C@H]3c3ccc(C)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC001435120270 1064526296 /nfs/dbraw/zinc/52/62/96/1064526296.db2.gz PHGYNCAPIHUAIQ-QFIPXVFZSA-N 0 0 450.564 4.695 20 5 JJBDRN C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001359839995 1064526311 /nfs/dbraw/zinc/52/63/11/1064526311.db2.gz RMRLKJYDGYKPEX-HNNXBMFYSA-N 0 0 453.436 4.670 20 5 JJBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC001435122311 1064528478 /nfs/dbraw/zinc/52/84/78/1064528478.db2.gz ZPFTYHMUUQMEDK-LHHJGKSTSA-N 0 0 450.878 4.840 20 5 JJBDRN COc1cc(C)c([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC ZINC001435122480 1064528738 /nfs/dbraw/zinc/52/87/38/1064528738.db2.gz CXTDMNFEVYDRKK-KRWDZBQOSA-N 0 0 450.491 4.990 20 5 JJBDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001359858798 1064546003 /nfs/dbraw/zinc/54/60/03/1064546003.db2.gz RBCZPGLYTXSHCO-OAQYLSRUSA-N 0 0 453.882 4.682 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1 ZINC001435160287 1064556430 /nfs/dbraw/zinc/55/64/30/1064556430.db2.gz HEIAPXXGQADUKG-XMMPIXPASA-N 0 0 455.518 4.565 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC001435160950 1064556878 /nfs/dbraw/zinc/55/68/78/1064556878.db2.gz HLMOGEOSWKUAPL-HSZRJFAPSA-N 0 0 454.910 4.999 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCS[C@H](C)[C@H]3c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC001435162232 1064558348 /nfs/dbraw/zinc/55/83/48/1064558348.db2.gz FFHQEVOOVFPJBQ-JPYJTQIMSA-N 0 0 450.564 4.775 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001435162247 1064558363 /nfs/dbraw/zinc/55/83/63/1064558363.db2.gz FMVBVPWTBJZQNM-IAGOWNOFSA-N 0 0 455.511 4.857 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 ZINC001435163947 1064560002 /nfs/dbraw/zinc/56/00/02/1064560002.db2.gz XLXCSFZVRYUWIC-UHFFFAOYSA-N 0 0 451.327 4.850 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 ZINC001435171677 1064566350 /nfs/dbraw/zinc/56/63/50/1064566350.db2.gz WNNGCUXPZFQZSY-UHFFFAOYSA-N 0 0 456.930 4.608 20 5 JJBDRN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435186280 1064575701 /nfs/dbraw/zinc/57/57/01/1064575701.db2.gz RNTSVQSIAXYZTC-HXUWFJFHSA-N 0 0 452.429 4.750 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)s2)cc1 ZINC001435188811 1064578470 /nfs/dbraw/zinc/57/84/70/1064578470.db2.gz OLTYOPQEPDKBCD-ZDUSSCGKSA-N 0 0 450.520 4.937 20 5 JJBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001435196976 1064585352 /nfs/dbraw/zinc/58/53/52/1064585352.db2.gz FMPFTOIIDYSVMJ-UHFFFAOYSA-N 0 0 455.268 4.795 20 5 JJBDRN O=C(CCCOc1cccc(Br)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435202595 1064589019 /nfs/dbraw/zinc/58/90/19/1064589019.db2.gz IUHDQMZCGKQHLI-IBGZPJMESA-N 0 0 451.342 4.791 20 5 JJBDRN COc1ccc(OC(F)(F)F)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001435219152 1064598946 /nfs/dbraw/zinc/59/89/46/1064598946.db2.gz GBVVIICRQHYKBQ-UHFFFAOYSA-N 0 0 450.163 4.622 20 5 JJBDRN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 ZINC001435219809 1064599885 /nfs/dbraw/zinc/59/98/85/1064599885.db2.gz GPQUKHQJOWHZOB-KRWDZBQOSA-N 0 0 450.276 4.875 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC001435231482 1064611566 /nfs/dbraw/zinc/61/15/66/1064611566.db2.gz VHAZLJFQNJJUNQ-UHFFFAOYSA-N 0 0 450.234 4.904 20 5 JJBDRN COc1cc(OCC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1[N+](=O)[O-] ZINC001435238061 1064618126 /nfs/dbraw/zinc/61/81/26/1064618126.db2.gz XGPKRXCEJMGZHD-MRXNPFEDSA-N 0 0 455.536 4.942 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccccc2Cl)cc1 ZINC001435242912 1064622143 /nfs/dbraw/zinc/62/21/43/1064622143.db2.gz XBNQLTOVUVSZFV-JOCHJYFZSA-N 0 0 456.882 4.793 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435251504 1064628234 /nfs/dbraw/zinc/62/82/34/1064628234.db2.gz CMPOLNDHTVVEEL-PGRDOPGGSA-N 0 0 457.596 4.506 20 5 JJBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001435256148 1064633269 /nfs/dbraw/zinc/63/32/69/1064633269.db2.gz SLJBBDHEJWFZHL-KBPBESRZSA-N 0 0 450.276 4.526 20 5 JJBDRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001435293338 1064669717 /nfs/dbraw/zinc/66/97/17/1064669717.db2.gz XBUMOEZLAUOKTM-UHFFFAOYSA-N 0 0 459.428 4.784 20 5 JJBDRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)ccc1C ZINC001359934247 1064677811 /nfs/dbraw/zinc/67/78/11/1064677811.db2.gz BESJXMRGZIGKDW-UHFFFAOYSA-N 0 0 459.568 4.523 20 5 JJBDRN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001359934483 1064677834 /nfs/dbraw/zinc/67/78/34/1064677834.db2.gz JKXNJPJINXUGKP-UHFFFAOYSA-N 0 0 450.491 4.927 20 5 JJBDRN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001359942391 1064686805 /nfs/dbraw/zinc/68/68/05/1064686805.db2.gz VLYIWJPWGLELGK-QHCPKHFHSA-N 0 0 450.539 4.924 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC001435319820 1064693736 /nfs/dbraw/zinc/69/37/36/1064693736.db2.gz UKMKVDQVJSFKOL-GFCCVEGCSA-N 0 0 456.442 4.760 20 5 JJBDRN CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001359948724 1064700676 /nfs/dbraw/zinc/70/06/76/1064700676.db2.gz ZTKPQIFSUVYHDN-FQEVSTJZSA-N 0 0 472.590 4.941 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435340721 1064709972 /nfs/dbraw/zinc/70/99/72/1064709972.db2.gz SFUOQGLHJPUFCF-FCHUYYIVSA-N 0 0 458.534 4.900 20 5 JJBDRN COc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1F ZINC001435383051 1064732314 /nfs/dbraw/zinc/73/23/14/1064732314.db2.gz AQSVZOYOVIZALL-OAHLLOKOSA-N 0 0 454.454 4.821 20 5 JJBDRN COc1cccc(C(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 ZINC001435385455 1064733449 /nfs/dbraw/zinc/73/34/49/1064733449.db2.gz OGGFROBPQNMAGR-INIZCTEOSA-N 0 0 452.532 4.998 20 5 JJBDRN CCCOc1c(Br)cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC001435438837 1064757506 /nfs/dbraw/zinc/75/75/06/1064757506.db2.gz AMDAAOJCZYKWDQ-UHFFFAOYSA-N 0 0 451.317 4.820 20 5 JJBDRN O=C(Nc1cc2c(cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCCO2)c1cccs1 ZINC001435445061 1064760861 /nfs/dbraw/zinc/76/08/61/1064760861.db2.gz HKAVXTBTLPXRAJ-UHFFFAOYSA-N 0 0 459.867 4.586 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)Cc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 ZINC001435458329 1064769088 /nfs/dbraw/zinc/76/90/88/1064769088.db2.gz AVKYXTPSJPHRAO-STQMWFEESA-N 0 0 456.490 4.825 20 5 JJBDRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC001435460481 1064769763 /nfs/dbraw/zinc/76/97/63/1064769763.db2.gz RYOOQRVPZBIXKF-QGZVFWFLSA-N 0 0 455.555 4.678 20 5 JJBDRN O=C(Nc1ccc(Cl)cc1I)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001435463079 1064772306 /nfs/dbraw/zinc/77/23/06/1064772306.db2.gz ZKBXBRUYCUCXLY-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001435484088 1064783861 /nfs/dbraw/zinc/78/38/61/1064783861.db2.gz KTHJIDYTYLPIJI-MRXNPFEDSA-N 0 0 456.861 4.583 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC001435539586 1064816721 /nfs/dbraw/zinc/81/67/21/1064816721.db2.gz PKNSHBVYXZARTP-UHFFFAOYSA-N 0 0 458.511 4.709 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]2CCCC[C@@H]21 ZINC001435548782 1064823069 /nfs/dbraw/zinc/82/30/69/1064823069.db2.gz LPFHLZYJCIRIKL-CCKFTAQKSA-N 0 0 451.951 4.823 20 5 JJBDRN Cc1cc(-c2noc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])n2)ccc1F ZINC001435550708 1064824560 /nfs/dbraw/zinc/82/45/60/1064824560.db2.gz NXNKNRLXJLBFAH-LLVKDONJSA-N 0 0 450.879 4.715 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(Br)c(C)c1 ZINC001435553026 1064826217 /nfs/dbraw/zinc/82/62/17/1064826217.db2.gz XNMVIFIENNXKLM-UHFFFAOYSA-N 0 0 454.298 4.540 20 5 JJBDRN C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001435567052 1064837811 /nfs/dbraw/zinc/83/78/11/1064837811.db2.gz RONDYKRCYGSJOR-SFTDATJTSA-N 0 0 459.546 4.909 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC001435567050 1064837873 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ARQSMBNMKHUZOY-JOCHJYFZSA-N 0 0 451.523 4.968 20 5 JJBDRN COc1ccc(CSCC(=O)N(C)[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001435628708 1064890393 /nfs/dbraw/zinc/89/03/93/1064890393.db2.gz JDXIRRDWJDFXEH-CYBMUJFWSA-N 0 0 453.358 4.819 20 5 JJBDRN Cc1nc2c(s1)[C@H](NC(=O)c1ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n1)CCC2 ZINC001435647690 1064905726 /nfs/dbraw/zinc/90/57/26/1064905726.db2.gz KIRWJOKIGATNKY-CQSZACIVSA-N 0 0 452.323 4.660 20 5 JJBDRN COc1cc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC001360064486 1064906042 /nfs/dbraw/zinc/90/60/42/1064906042.db2.gz VNPJELSGAQHNST-UHFFFAOYSA-N 0 0 451.426 4.750 20 5 JJBDRN COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1[N+](=O)[O-] ZINC001435651916 1064909599 /nfs/dbraw/zinc/90/95/99/1064909599.db2.gz CWRBBACHCVMXSD-LJQANCHMSA-N 0 0 453.882 4.757 20 5 JJBDRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001435663822 1064918112 /nfs/dbraw/zinc/91/81/12/1064918112.db2.gz VSANFAAKTKXKFP-VQTJNVASSA-N 0 0 451.523 4.791 20 5 JJBDRN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC001435668735 1064921802 /nfs/dbraw/zinc/92/18/02/1064921802.db2.gz XQOPQCVYNLQFMX-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCCCc2c(Br)cccc21 ZINC001435669995 1064923607 /nfs/dbraw/zinc/92/36/07/1064923607.db2.gz WVMRYIGPGILFQS-UHFFFAOYSA-N 0 0 455.312 4.585 20 5 JJBDRN CC(C)CSCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001360077100 1064929510 /nfs/dbraw/zinc/92/95/10/1064929510.db2.gz JVETZKSMKDUZAY-QFIPXVFZSA-N 0 0 488.658 4.534 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)CC2 ZINC001435682113 1064930992 /nfs/dbraw/zinc/93/09/92/1064930992.db2.gz SOUICZVBYBDLDL-AOMKIAJQSA-N 0 0 459.905 4.583 20 5 JJBDRN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001435684162 1064932259 /nfs/dbraw/zinc/93/22/59/1064932259.db2.gz FHGARJGQNHVIJB-FQEVSTJZSA-N 0 0 451.401 4.601 20 5 JJBDRN CC(C)CSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cccs2)CC1 ZINC001360080280 1064937204 /nfs/dbraw/zinc/93/72/04/1064937204.db2.gz DVKCRIURZOUCGS-UHFFFAOYSA-N 0 0 486.667 4.626 20 5 JJBDRN O=C(O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435691997 1064938525 /nfs/dbraw/zinc/93/85/25/1064938525.db2.gz UECKPIAVOBBNJM-TZIWHRDSSA-N 0 0 455.829 4.608 20 5 JJBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001435692788 1064939652 /nfs/dbraw/zinc/93/96/52/1064939652.db2.gz URBAKNDTHGPQBQ-DJJJIMSYSA-N 0 0 451.317 4.651 20 5 JJBDRN CC(C)CSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001360082815 1064943006 /nfs/dbraw/zinc/94/30/06/1064943006.db2.gz NCQUMMMJWBEALH-UHFFFAOYSA-N 0 0 473.002 4.854 20 5 JJBDRN CCOc1cc(C(=O)N(CCC(C)C)c2nnc(C)c3ccccc32)c([N+](=O)[O-])cc1OC ZINC001435697353 1064944001 /nfs/dbraw/zinc/94/40/01/1064944001.db2.gz KHFJCTBTJJUHET-UHFFFAOYSA-N 0 0 452.511 4.947 20 5 JJBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001435700122 1064946165 /nfs/dbraw/zinc/94/61/65/1064946165.db2.gz QNESXJWQOPHMJX-QFIPXVFZSA-N 0 0 450.878 4.675 20 5 JJBDRN Cc1ccc(-n2nc(Br)cc2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001435749936 1064974089 /nfs/dbraw/zinc/97/40/89/1064974089.db2.gz FILRCUPQEUUXHD-UHFFFAOYSA-N 0 0 455.312 4.656 20 5 JJBDRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)cc1 ZINC001435766805 1064982307 /nfs/dbraw/zinc/98/23/07/1064982307.db2.gz OQCGJMOFWWSXHZ-FQEVSTJZSA-N 0 0 457.477 4.910 20 5 JJBDRN Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C(=O)c2ccc(C)cc2)c1C ZINC001435801779 1064998816 /nfs/dbraw/zinc/99/88/16/1064998816.db2.gz DSYKAZDXOGFZLF-UHFFFAOYSA-N 0 0 452.488 4.836 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)cc1[N+](=O)[O-] ZINC001435802019 1064998895 /nfs/dbraw/zinc/99/88/95/1064998895.db2.gz GBKXWWNHJWUVFR-SNVBAGLBSA-N 0 0 452.345 4.635 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CSCCS1 ZINC001360116198 1065000155 /nfs/dbraw/zinc/00/01/55/1065000155.db2.gz XSRXTPNRORICCY-UXHICEINSA-N 0 0 477.656 4.692 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001360116449 1065000836 /nfs/dbraw/zinc/00/08/36/1065000836.db2.gz FQDSDYKHJCVXBK-HXUWFJFHSA-N 0 0 471.602 4.733 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1 ZINC001360116532 1065001335 /nfs/dbraw/zinc/00/13/35/1065001335.db2.gz IEFPRHQJKAXPGX-RDGATRHJSA-N 0 0 471.602 4.784 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@H]1OCC[C@H]1C ZINC001360116802 1065002542 /nfs/dbraw/zinc/00/25/42/1065002542.db2.gz QXUZBUKUYNITDJ-DYESRHJHSA-N 0 0 455.584 4.679 20 5 JJBDRN CC(C)[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)n1nnc(-c2ccccc2)n1 ZINC001360117841 1065002896 /nfs/dbraw/zinc/00/28/96/1065002896.db2.gz ZHFGDXBSSLTWNX-QFIPXVFZSA-N 0 0 458.478 4.876 20 5 JJBDRN CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC001435818095 1065008165 /nfs/dbraw/zinc/00/81/65/1065008165.db2.gz DJMHCTHAZSRBDM-SFHVURJKSA-N 0 0 453.520 4.616 20 5 JJBDRN O=C(N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001435845338 1065020372 /nfs/dbraw/zinc/02/03/72/1065020372.db2.gz INLMOUBMMQNNDW-LBPRGKRZSA-N 0 0 450.291 4.766 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Br)ccc2C1 ZINC001435872988 1065037307 /nfs/dbraw/zinc/03/73/07/1065037307.db2.gz QDPVCQWECRCMMG-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC001435881224 1065041918 /nfs/dbraw/zinc/04/19/18/1065041918.db2.gz RBFQYYNTLUOQMV-MRXNPFEDSA-N 0 0 458.927 4.976 20 5 JJBDRN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cc1C(F)(F)F ZINC001435895744 1065050437 /nfs/dbraw/zinc/05/04/37/1065050437.db2.gz CAMMFLHJRDLXFF-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN COc1ccc(Br)c(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001435903365 1065054407 /nfs/dbraw/zinc/05/44/07/1065054407.db2.gz YNNQADWJNIYWDV-UHFFFAOYSA-N 0 0 459.749 4.770 20 5 JJBDRN CC(C)(C)O[C@H](C(=O)Oc1cc([N+](=O)[O-])ccc1I)c1ccccc1 ZINC001435926756 1065067229 /nfs/dbraw/zinc/06/72/29/1065067229.db2.gz WQXMXBLEVSDPTI-INIZCTEOSA-N 0 0 455.248 4.661 20 5 JJBDRN COc1cc(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC001435948725 1065077515 /nfs/dbraw/zinc/07/75/15/1065077515.db2.gz ONKUARGXEBFGBX-UHFFFAOYSA-N 0 0 452.435 4.600 20 5 JJBDRN COc1cc(OCC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC001360224339 1065087674 /nfs/dbraw/zinc/08/76/74/1065087674.db2.gz AJTSXMDEFISNTC-QHCPKHFHSA-N 0 0 458.873 4.989 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Oc3cc([N+](=O)[O-])c(Cl)cc3C)CCCC2)c1 ZINC001360260044 1065105027 /nfs/dbraw/zinc/10/50/27/1065105027.db2.gz WGQMEXVNPDESQQ-UHFFFAOYSA-N 0 0 451.928 4.866 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC001360262851 1065107255 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QWIYGRYOTIJFJK-UHFFFAOYSA-N 0 0 457.537 4.857 20 5 JJBDRN COc1ccc(-c2nc(C)sc2CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001436307138 1065293321 /nfs/dbraw/zinc/29/33/21/1065293321.db2.gz HLAZXNSQEYSHHF-LJQANCHMSA-N 0 0 451.548 4.984 20 5 JJBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccc(OC(F)F)c(Br)c1 ZINC001436378596 1065305667 /nfs/dbraw/zinc/30/56/67/1065305667.db2.gz DEYREFRGHZSCET-UHFFFAOYSA-N 0 0 455.211 4.657 20 5 JJBDRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001436465338 1065325061 /nfs/dbraw/zinc/32/50/61/1065325061.db2.gz DRXJURYHKOBNAC-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccccc2n1 ZINC001436469948 1065326978 /nfs/dbraw/zinc/32/69/78/1065326978.db2.gz WIURVIZIEKTAIX-UHFFFAOYSA-N 0 0 458.268 4.643 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1C ZINC001436516356 1065340181 /nfs/dbraw/zinc/34/01/81/1065340181.db2.gz MTBFOMOMSHQMFE-WMZHIEFXSA-N 0 0 450.466 4.532 20 5 JJBDRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNC(=O)OC(C)(C)C ZINC001360454982 1065354047 /nfs/dbraw/zinc/35/40/47/1065354047.db2.gz WREJXCQAPXKWBK-INIZCTEOSA-N 0 0 470.530 4.559 20 5 JJBDRN COC[C@@]1(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC001436556474 1065360696 /nfs/dbraw/zinc/36/06/96/1065360696.db2.gz GAUUWMQTILNHCX-XMMPIXPASA-N 0 0 458.580 4.577 20 5 JJBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccc(C(F)F)n1 ZINC001360461117 1065365409 /nfs/dbraw/zinc/36/54/09/1065365409.db2.gz NOBBGVWHAPERLK-CYBMUJFWSA-N 0 0 471.493 4.888 20 5 JJBDRN CCc1ccccc1[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001436580422 1065379649 /nfs/dbraw/zinc/37/96/49/1065379649.db2.gz HYAGODWDCJRLDI-FQEVSTJZSA-N 0 0 459.518 4.611 20 5 JJBDRN COC(=O)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001436594089 1065388956 /nfs/dbraw/zinc/38/89/56/1065388956.db2.gz FBDOMBRTZUUFMR-LJQANCHMSA-N 0 0 457.280 4.545 20 5 JJBDRN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001436612630 1065397557 /nfs/dbraw/zinc/39/75/57/1065397557.db2.gz SWUGPEFJLYTGKE-UHFFFAOYSA-N 0 0 455.946 4.892 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1cccs1 ZINC001360497547 1065414623 /nfs/dbraw/zinc/41/46/23/1065414623.db2.gz IXXPILDVBUXNRM-LJQANCHMSA-N 0 0 496.637 4.778 20 5 JJBDRN COc1cc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)sc1Br ZINC001436779801 1065440090 /nfs/dbraw/zinc/44/00/90/1065440090.db2.gz VDBQPYFJUJYGFY-NSHDSACASA-N 0 0 457.199 4.600 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506437 1065443824 /nfs/dbraw/zinc/44/38/24/1065443824.db2.gz FTEBBUYKUVILFB-RTBURBONSA-N 0 0 459.930 4.900 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c2ccc(OC)cc2OC)cc1 ZINC001360507629 1065446303 /nfs/dbraw/zinc/44/63/03/1065446303.db2.gz TUDXNIBSTRJHIF-QHCPKHFHSA-N 0 0 454.454 4.588 20 5 JJBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)(C)C ZINC001360514052 1065464346 /nfs/dbraw/zinc/46/43/46/1065464346.db2.gz MMGQZYIPUMDCOA-QGZVFWFLSA-N 0 0 474.606 4.839 20 5 JJBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)(C)C ZINC001360514051 1065464388 /nfs/dbraw/zinc/46/43/88/1065464388.db2.gz MMGQZYIPUMDCOA-KRWDZBQOSA-N 0 0 474.606 4.839 20 5 JJBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCC1 ZINC001360514793 1065469957 /nfs/dbraw/zinc/46/99/57/1065469957.db2.gz ZPHRYVQGHLVWNX-GOSISDBHSA-N 0 0 472.590 4.737 20 5 JJBDRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1Br ZINC001436915117 1065470265 /nfs/dbraw/zinc/47/02/65/1065470265.db2.gz ZHKYXRIIVSWKRK-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001437228473 1065522990 /nfs/dbraw/zinc/52/29/90/1065522990.db2.gz ZUGVTBNZKANITI-UHFFFAOYSA-N 0 0 459.275 4.732 20 5 JJBDRN 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C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001437837258 1065616783 /nfs/dbraw/zinc/61/67/83/1065616783.db2.gz JFIIMDREHOJYPY-HXPMCKFVSA-N 0 0 453.720 4.542 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001437881147 1065624327 /nfs/dbraw/zinc/62/43/27/1065624327.db2.gz YOWNMJRQBYLBGC-GOSISDBHSA-N 0 0 450.413 4.695 20 5 JJBDRN Cc1ccc2c(c1Br)CN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C2 ZINC001437991852 1065642392 /nfs/dbraw/zinc/64/23/92/1065642392.db2.gz OSYTUGZBDJHAMB-UHFFFAOYSA-N 0 0 454.118 4.893 20 5 JJBDRN O=C(N[C@H]1CSc2ccccc21)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001360627132 1065673187 /nfs/dbraw/zinc/67/31/87/1065673187.db2.gz BRQMVKXSTIGCAS-INIZCTEOSA-N 0 0 451.470 4.793 20 5 JJBDRN CN(C)C(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)ccn1 ZINC001360631751 1065681294 /nfs/dbraw/zinc/68/12/94/1065681294.db2.gz ZPGXGMCBXJLAEN-UHFFFAOYSA-N 0 0 456.911 4.749 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1[N+](=O)[O-])c1ccccn1 ZINC001438167161 1065684128 /nfs/dbraw/zinc/68/41/28/1065684128.db2.gz WDWQWNBUTCZCBC-CVEARBPZSA-N 0 0 459.506 4.885 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2[N+](=O)[O-])cc1 ZINC001438199314 1065692744 /nfs/dbraw/zinc/69/27/44/1065692744.db2.gz UKPHLZOIDNGWKN-QGZVFWFLSA-N 0 0 457.552 4.794 20 5 JJBDRN CCOc1cc(C(=O)N2CCc3cc(Br)c(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC001438218561 1065699288 /nfs/dbraw/zinc/69/92/88/1065699288.db2.gz PTYYSKCCTXXGHM-UHFFFAOYSA-N 0 0 455.692 4.621 20 5 JJBDRN CSc1ccc(C(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001438260573 1065703535 /nfs/dbraw/zinc/70/35/35/1065703535.db2.gz ZQXOLEOCNGUEOU-UHFFFAOYSA-N 0 0 457.552 4.540 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C1 ZINC001360638817 1065704750 /nfs/dbraw/zinc/70/47/50/1065704750.db2.gz JGVOHUSZNHDYAK-HKUYNNGSSA-N 0 0 484.601 4.783 20 5 JJBDRN CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)c1ccc(F)cc1 ZINC001438342169 1065712838 /nfs/dbraw/zinc/71/28/38/1065712838.db2.gz ZLQHHTKCLBDORU-SFHVURJKSA-N 0 0 456.255 4.702 20 5 JJBDRN COc1cc(OCC(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)ccc1[N+](=O)[O-] ZINC001438402988 1065720009 /nfs/dbraw/zinc/72/00/09/1065720009.db2.gz MKFMQABFLZBZKP-NEPJUHHUSA-N 0 0 459.446 4.914 20 5 JJBDRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001360665010 1065730027 /nfs/dbraw/zinc/73/00/27/1065730027.db2.gz SVKINPQHCBVJBB-HXUWFJFHSA-N 0 0 459.996 4.786 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001438667810 1065742021 /nfs/dbraw/zinc/74/20/21/1065742021.db2.gz YFICJPWJASEVRH-KRWDZBQOSA-N 0 0 453.539 4.603 20 5 JJBDRN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1cccc(Br)c1 ZINC001438682076 1065742997 /nfs/dbraw/zinc/74/29/97/1065742997.db2.gz IILMGRLBVXBBSX-QGZVFWFLSA-N 0 0 453.358 4.975 20 5 JJBDRN CC[C@@H](C)Oc1cccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)n1 ZINC001438692942 1065744474 /nfs/dbraw/zinc/74/44/74/1065744474.db2.gz ULRVBMXRHKCLPH-IQMFZBJNSA-N 0 0 458.515 4.546 20 5 JJBDRN CC[C@@H](C)Oc1cccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)n1 ZINC001438692939 1065744492 /nfs/dbraw/zinc/74/44/92/1065744492.db2.gz ULRVBMXRHKCLPH-CMJOXMDJSA-N 0 0 458.515 4.546 20 5 JJBDRN CN(C)c1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC001438710617 1065745588 /nfs/dbraw/zinc/74/55/88/1065745588.db2.gz FSASMNTUOAZOHX-UHFFFAOYSA-N 0 0 459.481 4.834 20 5 JJBDRN CC(=O)c1ccc(Br)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001438723649 1065747217 /nfs/dbraw/zinc/74/72/17/1065747217.db2.gz RUKUSJYWDOYHAJ-UHFFFAOYSA-N 0 0 456.090 4.504 20 5 JJBDRN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001438965889 1065771818 /nfs/dbraw/zinc/77/18/18/1065771818.db2.gz HBKQSPMPJPIUFE-OAHLLOKOSA-N 0 0 453.283 4.973 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cc2cc(Br)ccc2o1 ZINC001438969762 1065772539 /nfs/dbraw/zinc/77/25/39/1065772539.db2.gz VNFGLROSNHWWEW-UHFFFAOYSA-N 0 0 453.676 4.842 20 5 JJBDRN COc1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001439020388 1065778287 /nfs/dbraw/zinc/77/82/87/1065778287.db2.gz LGGRJRJKYNKMSH-HNNXBMFYSA-N 0 0 451.435 4.582 20 5 JJBDRN COc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1OCc1c(C)noc1C ZINC001439032705 1065778617 /nfs/dbraw/zinc/77/86/17/1065778617.db2.gz PYLJVZGKDRFTAY-HBIYDYFMSA-N 0 0 451.479 4.678 20 5 JJBDRN C[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001439239027 1065802956 /nfs/dbraw/zinc/80/29/56/1065802956.db2.gz QGTVAZOUPBAXEO-KRWDZBQOSA-N 0 0 455.580 4.874 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc([C@@H]2CCCC(=O)N2)c1 ZINC001439327625 1065815053 /nfs/dbraw/zinc/81/50/53/1065815053.db2.gz ZVPLOVCWKJJKDU-HNNXBMFYSA-N 0 0 453.442 4.686 20 5 JJBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCCC[C@H]1c1ncc(Br)cn1 ZINC001439397235 1065824206 /nfs/dbraw/zinc/82/42/06/1065824206.db2.gz CZQKTTGYJRWFJO-AWEZNQCLSA-N 0 0 459.222 4.534 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N=[S@](C)(=O)c2ccc(OC)cc2)cc1 ZINC001439422870 1065825556 /nfs/dbraw/zinc/82/55/56/1065825556.db2.gz SGHQYNZZDSDHQQ-JGCGQSQUSA-N 0 0 456.476 4.701 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001360758946 1065827131 /nfs/dbraw/zinc/82/71/31/1065827131.db2.gz JHGYRLJJJOLYHF-NRFANRHFSA-N 0 0 451.866 4.751 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(NC(=O)OC(C)(C)C)c(F)c(F)c1F ZINC001439459667 1065831241 /nfs/dbraw/zinc/83/12/41/1065831241.db2.gz NNCLKUTYNGLUSG-UHFFFAOYSA-N 0 0 454.405 4.677 20 5 JJBDRN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001439551915 1065841222 /nfs/dbraw/zinc/84/12/22/1065841222.db2.gz YPKCRHCOBITLEB-CQSZACIVSA-N 0 0 450.413 4.582 20 5 JJBDRN CCc1ccc(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC001439582101 1065843357 /nfs/dbraw/zinc/84/33/57/1065843357.db2.gz FKOPFTWQNHOIBZ-KRWDZBQOSA-N 0 0 453.539 4.891 20 5 JJBDRN C[C@H](OCCCn1c(CC(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC001360779987 1065888330 /nfs/dbraw/zinc/88/83/30/1065888330.db2.gz CYXJXQQVCMATSX-FQEVSTJZSA-N 0 0 495.628 4.981 20 5 JJBDRN CC(C)(C)OC(=O)C1(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC001439917819 1065891812 /nfs/dbraw/zinc/89/18/12/1065891812.db2.gz GKANEXMGZLNPSR-UHFFFAOYSA-N 0 0 459.465 4.576 20 5 JJBDRN COc1cc(C(=O)NCc2ccccc2SC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC001439983015 1065900099 /nfs/dbraw/zinc/90/00/99/1065900099.db2.gz QQBAEHZSXOXUMF-UHFFFAOYSA-N 0 0 452.357 4.747 20 5 JJBDRN Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc12 ZINC001440001675 1065902005 /nfs/dbraw/zinc/90/20/05/1065902005.db2.gz DDGXJKMKRCDJMQ-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360800721 1065911846 /nfs/dbraw/zinc/91/18/46/1065911846.db2.gz KETWLHCYBQKGIW-QFBILLFUSA-N 0 0 454.527 4.565 20 5 JJBDRN COc1ccc(Cl)cc1C(F)(F)C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC001360803826 1065915295 /nfs/dbraw/zinc/91/52/95/1065915295.db2.gz HEDZRDZGIQKMSK-UHFFFAOYSA-N 0 0 450.619 4.855 20 5 JJBDRN O=C(CSCC(=O)c1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1Br ZINC001360803873 1065915343 /nfs/dbraw/zinc/91/53/43/1065915343.db2.gz IAIDZQRCYFNAPW-UHFFFAOYSA-N 0 0 458.717 4.670 20 5 JJBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(OCc2ccc(Br)cc2)CC1 ZINC001440163181 1065918633 /nfs/dbraw/zinc/91/86/33/1065918633.db2.gz CLRGMMXEMPXTQC-LEWJYISDSA-N 0 0 459.340 4.669 20 5 JJBDRN COc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc(Cl)c1OC ZINC001440260898 1065926810 /nfs/dbraw/zinc/92/68/10/1065926810.db2.gz ZKWRWVMBZWENLV-UHFFFAOYSA-N 0 0 456.882 4.774 20 5 JJBDRN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)Cc1cccc(Br)c1 ZINC001360814476 1065927492 /nfs/dbraw/zinc/92/74/92/1065927492.db2.gz FTLXQLOTEVYYOQ-OAHLLOKOSA-N 0 0 457.328 4.542 20 5 JJBDRN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440342987 1065931515 /nfs/dbraw/zinc/93/15/15/1065931515.db2.gz SUCSZKSCTGRSDG-UHFFFAOYSA-N 0 0 450.564 4.648 20 5 JJBDRN O=C(c1cc2sc(Br)cc2s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440348600 1065932238 /nfs/dbraw/zinc/93/22/38/1065932238.db2.gz OQMQHIQWGGUILE-UHFFFAOYSA-N 0 0 452.355 4.596 20 5 JJBDRN CC(C)CCOc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC001360837761 1065949032 /nfs/dbraw/zinc/94/90/32/1065949032.db2.gz DCPOCGRRYFFZNF-UHFFFAOYSA-N 0 0 454.264 4.877 20 5 JJBDRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC2(C)C)CC1 ZINC001360847739 1065956538 /nfs/dbraw/zinc/95/65/38/1065956538.db2.gz XTLWJIYWTNLLSM-GOSISDBHSA-N 0 0 484.601 4.783 20 5 JJBDRN C[C@]12CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCOC(F)F)C[C@H]1C2(Cl)Cl ZINC001360849397 1065959332 /nfs/dbraw/zinc/95/93/32/1065959332.db2.gz SIRNYDBDFMSTMM-KDOFPFPSSA-N 0 0 476.311 4.503 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1CCC(=O)c2cccn21 ZINC001360850316 1065960295 /nfs/dbraw/zinc/96/02/95/1065960295.db2.gz ZUFOLYAKNJPVAT-SFHVURJKSA-N 0 0 457.845 4.815 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001440731089 1065971716 /nfs/dbraw/zinc/97/17/16/1065971716.db2.gz AUOLNHPXJAHMJS-IFXJQAMLSA-N 0 0 452.338 4.622 20 5 JJBDRN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001440891161 1065990816 /nfs/dbraw/zinc/99/08/16/1065990816.db2.gz DKTJXKJXTUMBTE-UHFFFAOYSA-N 0 0 457.552 4.505 20 5 JJBDRN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001360867962 1065991247 /nfs/dbraw/zinc/99/12/47/1065991247.db2.gz NWCSHHQGKISWQV-QGZVFWFLSA-N 0 0 453.280 4.516 20 5 JJBDRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC001440943828 1065996184 /nfs/dbraw/zinc/99/61/84/1065996184.db2.gz VAZDFCKLSPODSQ-HNNXBMFYSA-N 0 0 450.470 4.678 20 5 JJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001441288708 1066022697 /nfs/dbraw/zinc/02/26/97/1066022697.db2.gz KZZBSAOKWPSOJO-IFXJQAMLSA-N 0 0 451.951 4.821 20 5 JJBDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC001360880506 1066033199 /nfs/dbraw/zinc/03/31/99/1066033199.db2.gz DJXCEVUUIIPXMA-OALUTQOASA-N 0 0 451.552 4.591 20 5 JJBDRN Cc1nc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)sc1C ZINC001360896246 1066050135 /nfs/dbraw/zinc/05/01/35/1066050135.db2.gz YPUDEPQPHMLGKT-SJKOYZFVSA-N 0 0 480.516 4.804 20 5 JJBDRN COc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2Cl)cc1 ZINC001360897805 1066050618 /nfs/dbraw/zinc/05/06/18/1066050618.db2.gz OOVSMIRXPWCRFE-QHCPKHFHSA-N 0 0 456.882 4.550 20 5 JJBDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001441617669 1066054453 /nfs/dbraw/zinc/05/44/53/1066054453.db2.gz YSRUXUJNWZKJRP-HTAPYJJXSA-N 0 0 456.514 4.813 20 5 JJBDRN O=C(Cc1ccc(Cl)cc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001360902842 1066056261 /nfs/dbraw/zinc/05/62/61/1066056261.db2.gz SPZIEAPNZYVMCK-UHFFFAOYSA-N 0 0 453.720 4.623 20 5 JJBDRN COc1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1C1CC1 ZINC001441741880 1066066513 /nfs/dbraw/zinc/06/65/13/1066066513.db2.gz WZIVCASMXZMNKD-FQEVSTJZSA-N 0 0 452.507 4.723 20 5 JJBDRN CC1(C)Cc2nc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2C(=O)C1 ZINC001441749183 1066067810 /nfs/dbraw/zinc/06/78/10/1066067810.db2.gz LNUYNUIJBVMQFM-UHFFFAOYSA-N 0 0 456.446 4.666 20 5 JJBDRN C[C@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001441752325 1066068294 /nfs/dbraw/zinc/06/82/94/1066068294.db2.gz LSVIVVUUFUDXSS-YWZLYKJASA-N 0 0 453.495 4.654 20 5 JJBDRN Cc1cccc(Oc2ncccc2NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)c1C ZINC001441889705 1066078754 /nfs/dbraw/zinc/07/87/54/1066078754.db2.gz ZESDSTJBEGJERE-UHFFFAOYSA-N 0 0 457.284 4.996 20 5 JJBDRN Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC1CCCCC1 ZINC001360932127 1066089476 /nfs/dbraw/zinc/08/94/76/1066089476.db2.gz GPVPNIVAEBZDFP-UHFFFAOYSA-N 0 0 470.599 4.994 20 5 JJBDRN Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001360932617 1066090331 /nfs/dbraw/zinc/09/03/31/1066090331.db2.gz PAXSUONEHZAVAJ-UHFFFAOYSA-N 0 0 489.483 4.717 20 5 JJBDRN COc1cccc(N(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C(=O)OC(C)(C)C)c1 ZINC001442247776 1066107867 /nfs/dbraw/zinc/10/78/67/1066107867.db2.gz PYMODGGSAFEPLO-UHFFFAOYSA-N 0 0 457.527 4.782 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360959609 1066117092 /nfs/dbraw/zinc/11/70/92/1066117092.db2.gz JIMKXPUQMJUAFN-UHFFFAOYSA-N 0 0 472.299 4.795 20 5 JJBDRN Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)CC(C)(C)C2)cnn1CC(C)C ZINC001360960031 1066118220 /nfs/dbraw/zinc/11/82/20/1066118220.db2.gz WQPSPXXVIHYHPR-SFHVURJKSA-N 0 0 465.602 4.935 20 5 JJBDRN Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC=C(C(F)(F)F)CC2)cnn1CC(C)C ZINC001360960044 1066118230 /nfs/dbraw/zinc/11/82/30/1066118230.db2.gz XGUFKFVTVOBPJZ-UHFFFAOYSA-N 0 0 489.502 4.761 20 5 JJBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC001360964435 1066123966 /nfs/dbraw/zinc/12/39/66/1066123966.db2.gz QMGMTRUCKGQKIK-ZIAGYGMSSA-N 0 0 450.276 4.526 20 5 JJBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 ZINC001442666416 1066149479 /nfs/dbraw/zinc/14/94/79/1066149479.db2.gz KVLPRMOJZDYHRV-MRXNPFEDSA-N 0 0 459.218 4.590 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC001360987714 1066158743 /nfs/dbraw/zinc/15/87/43/1066158743.db2.gz ILOXIZSDNMFQSD-NSHDSACASA-N 0 0 453.808 4.647 20 5 JJBDRN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC001361002506 1066179583 /nfs/dbraw/zinc/17/95/83/1066179583.db2.gz DSHBUWYVAORZRJ-RUZDIDTESA-N 0 0 467.570 4.671 20 5 JJBDRN COc1cc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)ccc1[N+](=O)[O-] ZINC001361015860 1066204005 /nfs/dbraw/zinc/20/40/05/1066204005.db2.gz BSXWQRZBCAUBMQ-UHFFFAOYSA-N 0 0 455.511 4.746 20 5 JJBDRN CC(C)(C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001442860892 1066233011 /nfs/dbraw/zinc/23/30/11/1066233011.db2.gz BNAGUSZTOSPZLT-UHFFFAOYSA-N 0 0 450.470 4.972 20 5 JJBDRN COc1cncc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 ZINC001454159468 1066250692 /nfs/dbraw/zinc/25/06/92/1066250692.db2.gz XSRGJLZQLFUGNX-UHFFFAOYSA-N 0 0 452.517 4.689 20 5 JJBDRN CCc1noc(-c2ccc(CCNC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cc2)n1 ZINC001443022962 1066255496 /nfs/dbraw/zinc/25/54/96/1066255496.db2.gz NGFVTRVWQNGVFW-UHFFFAOYSA-N 0 0 457.490 4.923 20 5 JJBDRN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001361040499 1066262997 /nfs/dbraw/zinc/26/29/97/1066262997.db2.gz ZFJVBSSRJQGPAZ-UHFFFAOYSA-N 0 0 454.527 4.565 20 5 JJBDRN CC(C)[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001454297686 1066266522 /nfs/dbraw/zinc/26/65/22/1066266522.db2.gz SENQYZOGLCZZGT-VWLOTQADSA-N 0 0 455.518 4.899 20 5 JJBDRN C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443218246 1066281459 /nfs/dbraw/zinc/28/14/59/1066281459.db2.gz RQZMXMPWPVNNCW-CYBMUJFWSA-N 0 0 452.467 4.809 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001454591805 1066306304 /nfs/dbraw/zinc/30/63/04/1066306304.db2.gz YOMYPMIJAPCEEU-DOTOQJQBSA-N 0 0 451.589 4.861 20 5 JJBDRN O=C(Nc1nnc(-c2c(F)cccc2F)s1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001454606445 1066309254 /nfs/dbraw/zinc/30/92/54/1066309254.db2.gz YZIBUFDXPRVARN-UHFFFAOYSA-N 0 0 459.203 4.545 20 5 JJBDRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC001361078587 1066318125 /nfs/dbraw/zinc/31/81/25/1066318125.db2.gz GBWCCFPWFWEQJL-QGZVFWFLSA-N 0 0 450.491 4.877 20 5 JJBDRN CCc1nocc1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001361085670 1066324177 /nfs/dbraw/zinc/32/41/77/1066324177.db2.gz PNZBHSSMVIZIMB-UHFFFAOYSA-N 0 0 450.234 4.924 20 5 JJBDRN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001454734202 1066328265 /nfs/dbraw/zinc/32/82/65/1066328265.db2.gz DQVNOTAMUKKYRZ-INIZCTEOSA-N 0 0 455.338 4.711 20 5 JJBDRN CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001545960337 1066333087 /nfs/dbraw/zinc/33/30/87/1066333087.db2.gz BFBDALUUZILGTM-DLBZAZTESA-N 0 0 477.974 4.571 20 5 JJBDRN COc1ccc([C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2Cl)c(C)c1 ZINC001361090243 1066338361 /nfs/dbraw/zinc/33/83/61/1066338361.db2.gz DGGGXAMVFGERJR-JOCHJYFZSA-N 0 0 456.930 4.674 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H]1CC)NC(=O)OC(C)(C)C ZINC001545960898 1066346105 /nfs/dbraw/zinc/34/61/05/1066346105.db2.gz LQUYTJKRTFZIER-ILZDJORESA-N 0 0 472.590 4.781 20 5 JJBDRN COC(=O)[C@@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C)cc1 ZINC001443682839 1066349263 /nfs/dbraw/zinc/34/92/63/1066349263.db2.gz CLDNDLJMKOZVHJ-QFIPXVFZSA-N 0 0 450.516 4.741 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001443689531 1066351204 /nfs/dbraw/zinc/35/12/04/1066351204.db2.gz VQBSAKAWUOEILI-UHFFFAOYSA-N 0 0 451.589 4.816 20 5 JJBDRN O=C(Nc1cccc(CN=S2(=O)CCCC2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001455044461 1066355175 /nfs/dbraw/zinc/35/51/75/1066355175.db2.gz GCNNIXSYEIIYTP-UHFFFAOYSA-N 0 0 450.520 4.671 20 5 JJBDRN CCOC(=O)c1sc(C2CCN(C(=O)[C@@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1C ZINC001455057561 1066356347 /nfs/dbraw/zinc/35/63/47/1066356347.db2.gz WNRFHERHHJKBRP-KRWDZBQOSA-N 0 0 459.568 4.511 20 5 JJBDRN CCOC(=O)COc1ccc(OC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC001361121316 1066371481 /nfs/dbraw/zinc/37/14/81/1066371481.db2.gz GCPDBQHDNGOYDJ-UHFFFAOYSA-N 0 0 453.472 4.907 20 5 JJBDRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001443830724 1066373439 /nfs/dbraw/zinc/37/34/39/1066373439.db2.gz MHSZVNNZXAQPAI-QFIPXVFZSA-N 0 0 451.914 4.766 20 5 JJBDRN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1(c2cc(Cl)cc(Br)c2)CC1 ZINC001455257944 1066376170 /nfs/dbraw/zinc/37/61/70/1066376170.db2.gz WTGIUOJMYDERNV-UHFFFAOYSA-N 0 0 451.704 4.779 20 5 JJBDRN Cc1ccc(CCN(CC(F)(F)F)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC001361125041 1066378568 /nfs/dbraw/zinc/37/85/68/1066378568.db2.gz OYXOWDNHQHQINM-UHFFFAOYSA-N 0 0 459.262 4.842 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001443981994 1066390159 /nfs/dbraw/zinc/39/01/59/1066390159.db2.gz SGXMUVJFMFVNGD-VDABOFBKSA-N 0 0 453.539 4.739 20 5 JJBDRN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001455455716 1066391860 /nfs/dbraw/zinc/39/18/60/1066391860.db2.gz LKWAOORJAOXFQL-NRFANRHFSA-N 0 0 454.527 4.767 20 5 JJBDRN C[C@@H](CCc1cccn1C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001444033198 1066396722 /nfs/dbraw/zinc/39/67/22/1066396722.db2.gz JGUUKKCTGMVHAF-HNNXBMFYSA-N 0 0 454.914 4.590 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001361132132 1066401654 /nfs/dbraw/zinc/40/16/54/1066401654.db2.gz ICRXMJPEJKAZRO-PMACEKPBSA-N 0 0 450.583 4.602 20 5 JJBDRN CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)CC2)n1 ZINC001444085385 1066403392 /nfs/dbraw/zinc/40/33/92/1066403392.db2.gz VWSBTPBWJAZCGF-UHFFFAOYSA-N 0 0 453.568 4.613 20 5 JJBDRN CO[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001361133453 1066403873 /nfs/dbraw/zinc/40/38/73/1066403873.db2.gz RMDZXWCATBASBL-OYHNWAKOSA-N 0 0 454.914 4.934 20 5 JJBDRN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(C(F)(F)F)ccc1Br ZINC001455648027 1066419112 /nfs/dbraw/zinc/41/91/12/1066419112.db2.gz HPNTWCHWOGHTLV-UHFFFAOYSA-N 0 0 459.218 4.655 20 5 JJBDRN Cc1cc(Br)c(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Cl ZINC001455682220 1066424294 /nfs/dbraw/zinc/42/42/94/1066424294.db2.gz SLWCSSPQJJHPDM-UHFFFAOYSA-N 0 0 451.708 4.558 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC001455790204 1066431691 /nfs/dbraw/zinc/43/16/91/1066431691.db2.gz OGVGGNJRFZQEPI-YJYMSZOUSA-N 0 0 452.408 4.670 20 5 JJBDRN CC[C@H](NC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001455817906 1066437584 /nfs/dbraw/zinc/43/75/84/1066437584.db2.gz HIDWDJZWVHVCAK-QGUORLBXSA-N 0 0 459.502 4.701 20 5 JJBDRN C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ccc(Cl)cc1 ZINC001444382084 1066456108 /nfs/dbraw/zinc/45/61/08/1066456108.db2.gz BXBKBXXBMGOPRW-OAHLLOKOSA-N 0 0 452.898 4.914 20 5 JJBDRN CN1C(=O)CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001455988119 1066467795 /nfs/dbraw/zinc/46/77/95/1066467795.db2.gz YOCCGCFYNFZYQY-KBXCAEBGSA-N 0 0 455.820 4.815 20 5 JJBDRN COC(=O)CC[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001456022377 1066479123 /nfs/dbraw/zinc/47/91/23/1066479123.db2.gz ZNSFVPMTZURSLT-WFXMLNOXSA-N 0 0 453.539 4.501 20 5 JJBDRN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444644651 1066487328 /nfs/dbraw/zinc/48/73/28/1066487328.db2.gz VQVKOMDERQRNQB-GOSISDBHSA-N 0 0 452.898 4.549 20 5 JJBDRN CC(C)(CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(F)cc1 ZINC001456039611 1066487943 /nfs/dbraw/zinc/48/79/43/1066487943.db2.gz SEOGBCSFSQTINT-UHFFFAOYSA-N 0 0 451.285 4.934 20 5 JJBDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001444799423 1066505210 /nfs/dbraw/zinc/50/52/10/1066505210.db2.gz QCILJYOIPJLSSE-KRWDZBQOSA-N 0 0 452.324 4.808 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 ZINC001361185723 1066509697 /nfs/dbraw/zinc/50/96/97/1066509697.db2.gz MFYYZDAOSRUXKQ-BETUJISGSA-N 0 0 456.490 4.525 20 5 JJBDRN Cc1ccc(N2CCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1C ZINC001361186826 1066510438 /nfs/dbraw/zinc/51/04/38/1066510438.db2.gz XCWMCXLIADIQSO-NRFANRHFSA-N 0 0 450.583 4.799 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2Cl)c(OC)c1 ZINC001444888674 1066516449 /nfs/dbraw/zinc/51/64/49/1066516449.db2.gz BWHWNAPETLUQSP-OAQYLSRUSA-N 0 0 459.861 4.506 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001444910023 1066517567 /nfs/dbraw/zinc/51/75/67/1066517567.db2.gz SNWXSQVGKPNHEH-KRWDZBQOSA-N 0 0 456.543 4.768 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 ZINC001444963646 1066523411 /nfs/dbraw/zinc/52/34/11/1066523411.db2.gz XHNRQKNBTROGJR-UHFFFAOYSA-N 0 0 453.539 4.604 20 5 JJBDRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001456177764 1066530014 /nfs/dbraw/zinc/53/00/14/1066530014.db2.gz FJRRHLLGQGHDAF-UHFFFAOYSA-N 0 0 452.916 4.971 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)c1 ZINC001456199209 1066535672 /nfs/dbraw/zinc/53/56/72/1066535672.db2.gz CBNRGDJNMYJLPA-OAQYLSRUSA-N 0 0 454.502 4.511 20 5 JJBDRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC001445128468 1066540052 /nfs/dbraw/zinc/54/00/52/1066540052.db2.gz QVHXZOYGVBEPQQ-QHCPKHFHSA-N 0 0 450.491 4.900 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC001456239724 1066542751 /nfs/dbraw/zinc/54/27/51/1066542751.db2.gz IJJOSMXNXVSKFH-OAHLLOKOSA-N 0 0 452.536 4.816 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001456280372 1066554374 /nfs/dbraw/zinc/55/43/74/1066554374.db2.gz QEGDBOOUKNSXGM-INIZCTEOSA-N 0 0 459.465 4.817 20 5 JJBDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001456337385 1066564780 /nfs/dbraw/zinc/56/47/80/1066564780.db2.gz YCJSNZDYTPKBPK-CYBMUJFWSA-N 0 0 452.736 4.530 20 5 JJBDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001456395723 1066577605 /nfs/dbraw/zinc/57/76/05/1066577605.db2.gz PAMMCYRZWCLZIP-HHHXNRCGSA-N 0 0 453.358 4.586 20 5 JJBDRN O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001445539711 1066585302 /nfs/dbraw/zinc/58/53/02/1066585302.db2.gz XGMMOYLBYXSMEV-UHFFFAOYSA-N 0 0 458.696 4.732 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC001456440173 1066586877 /nfs/dbraw/zinc/58/68/77/1066586877.db2.gz KIRNHKVJBMSSCY-LHEBDHONSA-N 0 0 458.923 4.962 20 5 JJBDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)c2)n1 ZINC001361249443 1066593118 /nfs/dbraw/zinc/59/31/18/1066593118.db2.gz PIFBXUARRSENTO-UHFFFAOYSA-N 0 0 456.506 4.716 20 5 JJBDRN COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)CCO2)c1 ZINC001445596410 1066593275 /nfs/dbraw/zinc/59/32/75/1066593275.db2.gz BOIDGBVGLHSKMH-JOCHJYFZSA-N 0 0 450.516 4.968 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001456486989 1066596866 /nfs/dbraw/zinc/59/68/66/1066596866.db2.gz LGCJAHVEOZTXPO-GFCCVEGCSA-N 0 0 452.454 4.614 20 5 JJBDRN COc1cc(N[C@@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC001445686986 1066603828 /nfs/dbraw/zinc/60/38/28/1066603828.db2.gz IHGKUGXYOZXYSX-CYBMUJFWSA-N 0 0 454.310 4.636 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001361257944 1066607119 /nfs/dbraw/zinc/60/71/19/1066607119.db2.gz QGKUASNVMZIMSY-AVRWGWEMSA-N 0 0 453.539 4.659 20 5 JJBDRN COc1cc(C(=O)N(CC2CCC2)CC(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001361269870 1066623809 /nfs/dbraw/zinc/62/38/09/1066623809.db2.gz FVOIMNUUQOKKJA-UHFFFAOYSA-N 0 0 452.429 4.987 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 ZINC001456622785 1066648399 /nfs/dbraw/zinc/64/83/99/1066648399.db2.gz JCWSHPFGAKKRKJ-DEOSSOPVSA-N 0 0 459.502 4.589 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001456629913 1066651589 /nfs/dbraw/zinc/65/15/89/1066651589.db2.gz PSXFTJUAKVNEEX-HZPDHXFCSA-N 0 0 451.589 4.720 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC001446051634 1066652679 /nfs/dbraw/zinc/65/26/79/1066652679.db2.gz VUCKZLWMHYTIFP-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCSCC2)cc1 ZINC001456725047 1066674413 /nfs/dbraw/zinc/67/44/13/1066674413.db2.gz HZIQIBRRLYMZEI-UHFFFAOYSA-N 0 0 454.474 4.608 20 5 JJBDRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC001456723576 1066674513 /nfs/dbraw/zinc/67/45/13/1066674513.db2.gz BPGQRMQOVKKNOB-UHFFFAOYSA-N 0 0 457.939 4.678 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC001456766980 1066683991 /nfs/dbraw/zinc/68/39/91/1066683991.db2.gz WVFKJTOJCBNWFD-UHFFFAOYSA-N 0 0 452.898 4.843 20 5 JJBDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001456791548 1066691555 /nfs/dbraw/zinc/69/15/55/1066691555.db2.gz OAIMGDMOZATDJT-KNQAVFIVSA-N 0 0 455.561 4.980 20 5 JJBDRN CC[C@@H](Cn1c(C2CCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)OC(C)(C)C ZINC001545984674 1066694358 /nfs/dbraw/zinc/69/43/58/1066694358.db2.gz NGOKJNKYJMVTNX-IBGZPJMESA-N 0 0 484.601 4.926 20 5 JJBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OCC1CCOCC1 ZINC001456814894 1066699064 /nfs/dbraw/zinc/69/90/64/1066699064.db2.gz WIMSKSDDPLCOOK-UHFFFAOYSA-N 0 0 453.539 4.951 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001446398710 1066702001 /nfs/dbraw/zinc/70/20/01/1066702001.db2.gz QIEGKKVDKNTXOJ-UHFFFAOYSA-N 0 0 452.985 4.730 20 5 JJBDRN C[C@@H](O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001446400602 1066702069 /nfs/dbraw/zinc/70/20/69/1066702069.db2.gz UAUUBTNPHBNXFB-KGLIPLIRSA-N 0 0 454.470 4.998 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001446488366 1066710160 /nfs/dbraw/zinc/71/01/60/1066710160.db2.gz ROQKKFCICGMHCF-KXBFYZLASA-N 0 0 451.292 4.533 20 5 JJBDRN O=C(CCCc1ccc(Br)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001456930928 1066724883 /nfs/dbraw/zinc/72/48/83/1066724883.db2.gz PJEONXISMQMBDW-UHFFFAOYSA-N 0 0 453.358 4.812 20 5 JJBDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001456933302 1066725496 /nfs/dbraw/zinc/72/54/96/1066725496.db2.gz UKSAUDHXLBTWGP-UHFFFAOYSA-N 0 0 459.930 4.916 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC ZINC001456960345 1066729804 /nfs/dbraw/zinc/72/98/04/1066729804.db2.gz OQWQTUNLKJUKES-UHFFFAOYSA-N 0 0 451.435 4.757 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC001446719247 1066734282 /nfs/dbraw/zinc/73/42/82/1066734282.db2.gz XXJRMENFUVSTFM-UHFFFAOYSA-N 0 0 456.882 4.774 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC001456996368 1066738599 /nfs/dbraw/zinc/73/85/99/1066738599.db2.gz WWACKJDZOLFKPT-OAQYLSRUSA-N 0 0 455.486 4.607 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@@H](C)C2)n1 ZINC001492644446 1066742336 /nfs/dbraw/zinc/74/23/36/1066742336.db2.gz OKSMUNBSLAVMOK-INIZCTEOSA-N 0 0 458.613 4.583 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1[N+](=O)[O-] ZINC001457022040 1066745958 /nfs/dbraw/zinc/74/59/58/1066745958.db2.gz NWBOUFLZKHSELC-OAHLLOKOSA-N 0 0 450.944 4.521 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)cc2[N+](=O)[O-])n1 ZINC001457055460 1066751742 /nfs/dbraw/zinc/75/17/42/1066751742.db2.gz AKEOFSRCYJBORT-PMPSAXMXSA-N 0 0 490.607 4.781 20 5 JJBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC001457168558 1066778743 /nfs/dbraw/zinc/77/87/43/1066778743.db2.gz MZZCYPYNIFSZAK-QFIPXVFZSA-N 0 0 459.546 4.739 20 5 JJBDRN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001457235061 1066795984 /nfs/dbraw/zinc/79/59/84/1066795984.db2.gz ZTSJSSXDVFYDLX-JOCHJYFZSA-N 0 0 451.523 4.890 20 5 JJBDRN Cc1nc(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CCCS2)cs1 ZINC001492669621 1066798690 /nfs/dbraw/zinc/79/86/90/1066798690.db2.gz DXJMQAUQWPGNRK-HXUWFJFHSA-N 0 0 472.640 4.853 20 5 JJBDRN Cc1ccc([C@H](C)OC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC001457276429 1066802090 /nfs/dbraw/zinc/80/20/90/1066802090.db2.gz DMVNSYSSXAOASZ-INIZCTEOSA-N 0 0 452.438 4.978 20 5 JJBDRN CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC001545995513 1066806405 /nfs/dbraw/zinc/80/64/05/1066806405.db2.gz UGRILIQWHJMVPV-LJQANCHMSA-N 0 0 451.575 4.617 20 5 JJBDRN Cc1cnn(-c2ccccc2)c1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001457317208 1066809355 /nfs/dbraw/zinc/80/93/55/1066809355.db2.gz AIBZXPNXZATYJJ-UHFFFAOYSA-N 0 0 457.277 4.834 20 5 JJBDRN CCOc1cc(C(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC001457341302 1066812995 /nfs/dbraw/zinc/81/29/95/1066812995.db2.gz OJCQXNZRMOHORP-ZDUSSCGKSA-N 0 0 456.417 4.608 20 5 JJBDRN CCOc1cc(C(=O)NC[C@@H](CC)Oc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC001457341297 1066813114 /nfs/dbraw/zinc/81/31/14/1066813114.db2.gz OJCQXNZRMOHORP-CYBMUJFWSA-N 0 0 456.417 4.608 20 5 JJBDRN Cc1nn(C)cc1CNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001447631215 1066832066 /nfs/dbraw/zinc/83/20/66/1066832066.db2.gz ROELGVOFXMXZFO-UHFFFAOYSA-N 0 0 450.442 4.737 20 5 JJBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001457457381 1066834109 /nfs/dbraw/zinc/83/41/09/1066834109.db2.gz MSOJVGSRAOJQTN-UHFFFAOYSA-N 0 0 459.930 4.844 20 5 JJBDRN COc1cc(C(=O)N2c3ccccc3SC[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001457474604 1066839525 /nfs/dbraw/zinc/83/95/25/1066839525.db2.gz FPGNUNJRPRZMKU-CYBMUJFWSA-N 0 0 457.533 4.780 20 5 JJBDRN COc1cc(C(=O)N2c3ccccc3SC[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001457474606 1066839593 /nfs/dbraw/zinc/83/95/93/1066839593.db2.gz FPGNUNJRPRZMKU-ZDUSSCGKSA-N 0 0 457.533 4.780 20 5 JJBDRN COC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1O ZINC001447697689 1066844013 /nfs/dbraw/zinc/84/40/13/1066844013.db2.gz NBIRRLSDYGIRCG-UHFFFAOYSA-N 0 0 455.854 4.605 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC001447718334 1066847092 /nfs/dbraw/zinc/84/70/92/1066847092.db2.gz MCIRJAWUSAFWTH-UHFFFAOYSA-N 0 0 453.445 4.759 20 5 JJBDRN O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001447806756 1066863771 /nfs/dbraw/zinc/86/37/71/1066863771.db2.gz VIIQIDVRORKFAW-FOIQADDNSA-N 0 0 454.470 4.959 20 5 JJBDRN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)c1cccs1 ZINC001492717106 1066883098 /nfs/dbraw/zinc/88/30/98/1066883098.db2.gz JKQZBFGFWPOXJC-UHFFFAOYSA-N 0 0 479.610 4.879 20 5 JJBDRN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1noc(-c2ccccc2)n1 ZINC001457706741 1066900699 /nfs/dbraw/zinc/90/06/99/1066900699.db2.gz NBZGLILYICLGFA-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)c(O[C@@H](C)CC(C)C)c1 ZINC001457706647 1066900782 /nfs/dbraw/zinc/90/07/82/1066900782.db2.gz LDMMGEYKTYFOQQ-AWEZNQCLSA-N 0 0 450.333 4.804 20 5 JJBDRN CC(=O)Nc1sc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC001448123041 1066901850 /nfs/dbraw/zinc/90/18/50/1066901850.db2.gz OQJHNZPYVHSFFL-UHFFFAOYSA-N 0 0 451.508 4.529 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001457734056 1066906222 /nfs/dbraw/zinc/90/62/22/1066906222.db2.gz JXZJHAGIRMRDGC-HNNXBMFYSA-N 0 0 453.720 4.832 20 5 JJBDRN CNc1c(C(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)cccc1[N+](=O)[O-] ZINC001448230863 1066911552 /nfs/dbraw/zinc/91/15/52/1066911552.db2.gz VBZDBZOLEOFROF-UHFFFAOYSA-N 0 0 453.470 4.635 20 5 JJBDRN CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001457807624 1066925474 /nfs/dbraw/zinc/92/54/74/1066925474.db2.gz ZEEJJDVJWOQSGY-IUODEOHRSA-N 0 0 455.736 4.916 20 5 JJBDRN Cc1cc(C)n(CCCn2c(CC(C)(C)C)nnc2N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC001492761920 1066934607 /nfs/dbraw/zinc/93/46/07/1066934607.db2.gz ZXVAWMKZNRWJND-UHFFFAOYSA-N 0 0 465.602 4.848 20 5 JJBDRN Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)c1NC(=O)c1ccccc1F ZINC001457898132 1066938297 /nfs/dbraw/zinc/93/82/97/1066938297.db2.gz TWYGGICROBHSHH-UHFFFAOYSA-N 0 0 459.437 4.937 20 5 JJBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001448608709 1066941435 /nfs/dbraw/zinc/94/14/35/1066941435.db2.gz ABKOUVLEGPZKHN-HZPDHXFCSA-N 0 0 453.543 4.731 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC001448734079 1066954676 /nfs/dbraw/zinc/95/46/76/1066954676.db2.gz IJZKEKHAGYZSJC-CEIZCYBCSA-N 0 0 457.615 4.869 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC001448734113 1066954787 /nfs/dbraw/zinc/95/47/87/1066954787.db2.gz IJZKEKHAGYZSJC-YNUCVWEMSA-N 0 0 457.615 4.869 20 5 JJBDRN CCc1ccc(-n2nc(C(=O)Nc3ccc([N+](=O)[O-])c(Br)c3)c3c2CCC3)cc1 ZINC001458003183 1066955831 /nfs/dbraw/zinc/95/58/31/1066955831.db2.gz ZCBNUUMKUQEHHP-UHFFFAOYSA-N 0 0 455.312 4.846 20 5 JJBDRN CN(c1ccc(Oc2c3ccccc3ncc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001458052658 1066961622 /nfs/dbraw/zinc/96/16/22/1066961622.db2.gz FYWKMQKBXHEIPC-UHFFFAOYSA-N 0 0 453.451 4.900 20 5 JJBDRN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001448857246 1066964823 /nfs/dbraw/zinc/96/48/23/1066964823.db2.gz ZGIGCFRHLPAWAF-OAHLLOKOSA-N 0 0 455.269 4.779 20 5 JJBDRN O=[N+]([O-])c1cc(CO)c(Sc2nnc(Nc3cccc(Br)c3)s2)cc1F ZINC001458069585 1066966387 /nfs/dbraw/zinc/96/63/87/1066966387.db2.gz MEZGJHLJFKTOFN-UHFFFAOYSA-N 0 0 457.306 4.735 20 5 JJBDRN C[C@@H](C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001448889445 1066967213 /nfs/dbraw/zinc/96/72/13/1066967213.db2.gz KGOMHEUYXDMGFX-CZUORRHYSA-N 0 0 450.308 4.703 20 5 JJBDRN COc1cc(C(=O)N2Cc3ccccc3C(F)(F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001458110489 1066978580 /nfs/dbraw/zinc/97/85/80/1066978580.db2.gz HSRKDANPHYFBEK-UHFFFAOYSA-N 0 0 454.429 4.930 20 5 JJBDRN Cc1ccc(CNC(=O)c2cccc(CNc3ncc([N+](=O)[O-])cc3Br)c2)cc1 ZINC001458111145 1066978929 /nfs/dbraw/zinc/97/89/29/1066978929.db2.gz XHSBJXXHYZNETE-UHFFFAOYSA-N 0 0 455.312 4.603 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC=C(c3ccncc3)C2)cc1[N+](=O)[O-] ZINC001449111947 1066983238 /nfs/dbraw/zinc/98/32/38/1066983238.db2.gz XFOFWWWFJKLMJM-UHFFFAOYSA-N 0 0 459.527 4.872 20 5 JJBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)COc2cccc(Cl)c2Cl)nc1-c1ccc(F)cc1 ZINC001458130789 1066984297 /nfs/dbraw/zinc/98/42/97/1066984297.db2.gz DIDINIIXEMBLER-CQSZACIVSA-N 0 0 452.269 4.955 20 5 JJBDRN CCOc1ccc([C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2cccc(Cl)c2)cc1 ZINC001458153901 1066989770 /nfs/dbraw/zinc/98/97/70/1066989770.db2.gz IFDSIWGSZQRRNC-QFIPXVFZSA-N 0 0 456.930 4.756 20 5 JJBDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155801 1066991379 /nfs/dbraw/zinc/99/13/79/1066991379.db2.gz RXNOSHHRGUAXGN-GAJHUEQPSA-N 0 0 458.990 4.643 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001449260454 1066992955 /nfs/dbraw/zinc/99/29/55/1066992955.db2.gz MMRBLMVMPFMLIQ-UHFFFAOYSA-N 0 0 459.959 4.898 20 5 JJBDRN Cc1c(Br)c(N[C@@H]2CCN(c3ccc(Br)cc3)C2)ncc1[N+](=O)[O-] ZINC001458171640 1066995196 /nfs/dbraw/zinc/99/51/96/1066995196.db2.gz XXWDTHBBFTXKQG-GFCCVEGCSA-N 0 0 456.138 4.514 20 5 JJBDRN NC(=O)CN(Cc1ccccc1)c1cccc(Nc2cccc(Br)c2[N+](=O)[O-])c1 ZINC001458171291 1066995502 /nfs/dbraw/zinc/99/55/02/1066995502.db2.gz YUAQPZOYPBZDEM-UHFFFAOYSA-N 0 0 455.312 4.593 20 5 JJBDRN COc1ccc([C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)c2ccccc2)cc1Br ZINC001458172843 1066996036 /nfs/dbraw/zinc/99/60/36/1066996036.db2.gz YDDLGDAFOASYRO-HXUWFJFHSA-N 0 0 456.296 4.666 20 5 JJBDRN Nc1c(Br)cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC001449293099 1066995972 /nfs/dbraw/zinc/99/59/72/1066995972.db2.gz GDIJLRFUBZCZDM-QGZVFWFLSA-N 0 0 454.271 4.642 20 5 JJBDRN Cc1ccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001458189745 1067000394 /nfs/dbraw/zinc/00/03/94/1067000394.db2.gz OBZVZKQOTQHPNB-GOSISDBHSA-N 0 0 456.549 4.526 20 5 JJBDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458190415 1067000731 /nfs/dbraw/zinc/00/07/31/1067000731.db2.gz JZELSBYBDDPZPB-IAGOWNOFSA-N 0 0 455.342 4.753 20 5 JJBDRN Cc1cc(CN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)cc(C)c1OCc1ccccc1Cl ZINC001458200737 1067002239 /nfs/dbraw/zinc/00/22/39/1067002239.db2.gz VGSJMGBYOPERJS-UHFFFAOYSA-N 0 0 454.914 4.574 20 5 JJBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001449355880 1067002678 /nfs/dbraw/zinc/00/26/78/1067002678.db2.gz JFQHJBKAPGJFTO-OAQYLSRUSA-N 0 0 455.308 4.733 20 5 JJBDRN CCc1ccc([C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458225577 1067007209 /nfs/dbraw/zinc/00/72/09/1067007209.db2.gz JVWBQBQEWWSSNC-QFIPXVFZSA-N 0 0 450.520 4.639 20 5 JJBDRN CC(C)(C(=O)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc([N+](=O)[O-])cc1F ZINC001458254692 1067013155 /nfs/dbraw/zinc/01/31/55/1067013155.db2.gz OLZWNBUBCCRVEC-UHFFFAOYSA-N 0 0 453.257 4.642 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001458257182 1067014366 /nfs/dbraw/zinc/01/43/66/1067014366.db2.gz WQGLPMLPCNLMAM-HKUYNNGSSA-N 0 0 456.543 4.698 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001458257188 1067014379 /nfs/dbraw/zinc/01/43/79/1067014379.db2.gz WQGLPMLPCNLMAM-PKOBYXMFSA-N 0 0 456.543 4.698 20 5 JJBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001458263515 1067016046 /nfs/dbraw/zinc/01/60/46/1067016046.db2.gz PULZDAPTCBPZEX-QGZVFWFLSA-N 0 0 456.543 4.970 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)CC2 ZINC001458292788 1067023208 /nfs/dbraw/zinc/02/32/08/1067023208.db2.gz JQIVQFYJYNRLKO-OSICKASQSA-N 0 0 453.926 4.540 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC001458293926 1067023391 /nfs/dbraw/zinc/02/33/91/1067023391.db2.gz HLXKTCPCMHXKDU-UHFFFAOYSA-N 0 0 459.359 4.981 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001449717939 1067023225 /nfs/dbraw/zinc/02/32/25/1067023225.db2.gz ZSDMAGLFVMZDAJ-NJDAHSKKSA-N 0 0 459.587 4.659 20 5 JJBDRN Cc1ccc(N2C[C@H](C(=O)O[C@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CCC2=O)cc1C ZINC001458319874 1067029426 /nfs/dbraw/zinc/02/94/26/1067029426.db2.gz OEYPIRAZPDLFKD-CJFMBICVSA-N 0 0 459.502 4.682 20 5 JJBDRN CCc1ccc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC001449840724 1067031594 /nfs/dbraw/zinc/03/15/94/1067031594.db2.gz OJWZAHVLFCCHFY-LBPRGKRZSA-N 0 0 450.417 4.721 20 5 JJBDRN Cc1cc(Br)cc2c1CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001458327922 1067032262 /nfs/dbraw/zinc/03/22/62/1067032262.db2.gz ZRROFCINMKDHPD-LBPRGKRZSA-N 0 0 453.720 4.671 20 5 JJBDRN C[C@H](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449855013 1067032494 /nfs/dbraw/zinc/03/24/94/1067032494.db2.gz OVPRQJLXAPIILG-HMXCVIKNSA-N 0 0 459.587 4.974 20 5 JJBDRN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(Br)ccc1Br ZINC001449897038 1067034970 /nfs/dbraw/zinc/03/49/70/1067034970.db2.gz QIKGYTGUUPTTDL-UHFFFAOYSA-N 0 0 458.110 4.587 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001458343066 1067036110 /nfs/dbraw/zinc/03/61/10/1067036110.db2.gz FXZNFAJKJGMBOU-MRXNPFEDSA-N 0 0 454.335 4.549 20 5 JJBDRN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC001458370629 1067044129 /nfs/dbraw/zinc/04/41/29/1067044129.db2.gz LDMLUNULOHCJEJ-IBGZPJMESA-N 0 0 451.976 4.884 20 5 JJBDRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC001458372359 1067044753 /nfs/dbraw/zinc/04/47/53/1067044753.db2.gz YEJYOKMAYRULED-JGVFFNPUSA-N 0 0 451.858 4.756 20 5 JJBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCc2cc(Br)ccc21 ZINC001458376086 1067045710 /nfs/dbraw/zinc/04/57/10/1067045710.db2.gz PQNCLCVODGBKTB-UHFFFAOYSA-N 0 0 458.356 4.943 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(C3CC3)cc2)cc1 ZINC001458384499 1067047361 /nfs/dbraw/zinc/04/73/61/1067047361.db2.gz HUNWXTMBYYZTLF-UHFFFAOYSA-N 0 0 452.488 4.801 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)cc2[N+](=O)[O-])C1 ZINC001450099470 1067049378 /nfs/dbraw/zinc/04/93/78/1067049378.db2.gz XTCCZJZSQGOEDC-MFEFFIJZSA-N 0 0 457.958 4.944 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC001458394685 1067050230 /nfs/dbraw/zinc/05/02/30/1067050230.db2.gz LOYSNDVVETURPV-QRWLVFNGSA-N 0 0 450.470 4.946 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2C1 ZINC001458405566 1067053736 /nfs/dbraw/zinc/05/37/36/1067053736.db2.gz FQASHYDSKXNNAC-UHFFFAOYSA-N 0 0 454.508 4.750 20 5 JJBDRN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1OCCCO ZINC001458409204 1067054914 /nfs/dbraw/zinc/05/49/14/1067054914.db2.gz UNAOZTGOBDCWFA-LLVKDONJSA-N 0 0 452.330 4.901 20 5 JJBDRN C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001458412408 1067055430 /nfs/dbraw/zinc/05/54/30/1067055430.db2.gz HEOBXUCYBQIFOE-FXAWDEMLSA-N 0 0 453.539 4.813 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCc2c(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cccc21 ZINC001458413976 1067056003 /nfs/dbraw/zinc/05/60/03/1067056003.db2.gz IYFGYIMRUSYVRT-UHFFFAOYSA-N 0 0 452.511 4.779 20 5 JJBDRN COc1ccc(-c2nnc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)s2)cc1 ZINC001458422083 1067056983 /nfs/dbraw/zinc/05/69/83/1067056983.db2.gz RQGSMRHAJGGALF-UHFFFAOYSA-N 0 0 453.524 4.611 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1 ZINC001458427783 1067058415 /nfs/dbraw/zinc/05/84/15/1067058415.db2.gz FSAPUKSBLKVNRL-KXBFYZLASA-N 0 0 455.502 4.821 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1 ZINC001458427780 1067058454 /nfs/dbraw/zinc/05/84/54/1067058454.db2.gz FSAPUKSBLKVNRL-HNAYVOBHSA-N 0 0 455.502 4.821 20 5 JJBDRN CN(C[C@@H](O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001458434201 1067059338 /nfs/dbraw/zinc/05/93/38/1067059338.db2.gz LGLQHLYCMFWDPB-OAQYLSRUSA-N 0 0 455.308 4.758 20 5 JJBDRN CC(C)C1(c2ccccc2)CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 ZINC001458438274 1067060219 /nfs/dbraw/zinc/06/02/19/1067060219.db2.gz PYJYWWQHZDPNLP-UHFFFAOYSA-N 0 0 457.596 4.574 20 5 JJBDRN CC[C@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1cccc([N+](=O)[O-])c1 ZINC001458437916 1067060310 /nfs/dbraw/zinc/06/03/10/1067060310.db2.gz SGHHENRGRZYCSV-IBGZPJMESA-N 0 0 453.568 4.700 20 5 JJBDRN Nc1c(Cl)cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC001450308723 1067070599 /nfs/dbraw/zinc/07/05/99/1067070599.db2.gz MJIVIFWGHFDZCG-CQSZACIVSA-N 0 0 452.736 4.830 20 5 JJBDRN Cc1cc(N2CCOC[C@@H]2c2ccc(Br)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458475357 1067071467 /nfs/dbraw/zinc/07/14/67/1067071467.db2.gz XJZUYSRTAGUDIL-LJQANCHMSA-N 0 0 455.312 4.701 20 5 JJBDRN CCOC(=O)c1ccnc(N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001458483137 1067073124 /nfs/dbraw/zinc/07/31/24/1067073124.db2.gz PBXIUBNKGYBNMW-HXUWFJFHSA-N 0 0 453.417 4.667 20 5 JJBDRN CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001458488214 1067073619 /nfs/dbraw/zinc/07/36/19/1067073619.db2.gz NVEQGVDLTLIFEO-GOSISDBHSA-N 0 0 450.825 4.553 20 5 JJBDRN CN(C)c1ccc(N(Cc2ccc3ccccc3n2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001458492441 1067073932 /nfs/dbraw/zinc/07/39/32/1067073932.db2.gz SUJMWZXLJNGABL-UHFFFAOYSA-N 0 0 456.502 4.821 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001458491796 1067074117 /nfs/dbraw/zinc/07/41/17/1067074117.db2.gz RERRLRUXULOYDK-HIFRSBDPSA-N 0 0 454.449 4.673 20 5 JJBDRN O=C(Nc1ccc(Br)cc1)N1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001458498850 1067075320 /nfs/dbraw/zinc/07/53/20/1067075320.db2.gz WWYVIEFHAXNFBG-UHFFFAOYSA-N 0 0 455.259 4.744 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(CCOCc4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC001458502624 1067076347 /nfs/dbraw/zinc/07/63/47/1067076347.db2.gz VBQNJKPCHSKEAU-PMACEKPBSA-N 0 0 451.567 4.946 20 5 JJBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001450407289 1067077814 /nfs/dbraw/zinc/07/78/14/1067077814.db2.gz GHUJIANVHCVQHL-MHZLTWQESA-N 0 0 459.546 4.664 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C2 ZINC001458515356 1067079067 /nfs/dbraw/zinc/07/90/67/1067079067.db2.gz JUVQPVJZJKQZLJ-AVRWGWEMSA-N 0 0 451.523 4.709 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001450447093 1067080726 /nfs/dbraw/zinc/08/07/26/1067080726.db2.gz XXYWMKGIVMKVOL-XUZZJYLKSA-N 0 0 458.555 4.817 20 5 JJBDRN O=C(Oc1ccc(Br)cc1C(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458527046 1067081517 /nfs/dbraw/zinc/08/15/17/1067081517.db2.gz UPCOUSMDJPMQHC-UHFFFAOYSA-N 0 0 456.174 4.781 20 5 JJBDRN COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C3)c2c1 ZINC001458547295 1067085551 /nfs/dbraw/zinc/08/55/51/1067085551.db2.gz IOPCHWMZIHIYGV-XMMPIXPASA-N 0 0 458.559 4.919 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1SC ZINC001450530590 1067086734 /nfs/dbraw/zinc/08/67/34/1067086734.db2.gz ATMSACPATDBTEK-MQMHXKEQSA-N 0 0 451.342 4.764 20 5 JJBDRN CNc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001450542910 1067088632 /nfs/dbraw/zinc/08/86/32/1067088632.db2.gz PNDHMGHUTHMOSG-OAHLLOKOSA-N 0 0 450.470 4.827 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC001458569237 1067089332 /nfs/dbraw/zinc/08/93/32/1067089332.db2.gz FKSXHQCAQQJLFR-OAHLLOKOSA-N 0 0 459.465 4.832 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC001458579541 1067090438 /nfs/dbraw/zinc/09/04/38/1067090438.db2.gz LGWDUXIEJRGLAO-JQWIXIFHSA-N 0 0 457.371 4.753 20 5 JJBDRN CCC(O)(CC)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC001546024983 1067101403 /nfs/dbraw/zinc/10/14/03/1067101403.db2.gz XCLJERFLQKKJHA-SFHVURJKSA-N 0 0 470.599 4.553 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c2ncnc(NCC3(c4ccccc4)CC(O)(C(F)(F)F)C3)c2c1 ZINC001458677477 1067107055 /nfs/dbraw/zinc/10/70/55/1067107055.db2.gz GLNSTXMQUPIWOP-UHFFFAOYSA-N 0 0 452.820 4.629 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NC[C@H]3C[C@H]3Cc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001458698504 1067111401 /nfs/dbraw/zinc/11/14/01/1067111401.db2.gz JPKIPOSXLJGFBU-ODKCFSPTSA-N 0 0 457.596 4.743 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001458718232 1067114907 /nfs/dbraw/zinc/11/49/07/1067114907.db2.gz KUDAOKCRTVFPHI-UHFFFAOYSA-N 0 0 457.502 4.903 20 5 JJBDRN COCC1(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001450853591 1067132457 /nfs/dbraw/zinc/13/24/57/1067132457.db2.gz XFHHSFAMLNFPRF-UHFFFAOYSA-N 0 0 459.930 4.827 20 5 JJBDRN O=C(N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001458768847 1067136742 /nfs/dbraw/zinc/13/67/42/1067136742.db2.gz FPGQKACPJKKTLN-LBPRGKRZSA-N 0 0 450.291 4.766 20 5 JJBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccc(SCc2ccccc2)cc1 ZINC001458770387 1067137303 /nfs/dbraw/zinc/13/73/03/1067137303.db2.gz XSBSIUOTBCPYKI-UHFFFAOYSA-N 0 0 450.472 4.538 20 5 JJBDRN Cc1ccc(-c2nc(SCc3cc(I)cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC001458795688 1067149086 /nfs/dbraw/zinc/14/90/86/1067149086.db2.gz IMWHKDXDIHVPDC-UHFFFAOYSA-N 0 0 452.277 4.585 20 5 JJBDRN CCc1ccc(-c2nc(SCc3cc(OC)c(OCC(F)F)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC001458817725 1067154348 /nfs/dbraw/zinc/15/43/48/1067154348.db2.gz JQQFXWZPXMTJKK-UHFFFAOYSA-N 0 0 450.467 4.887 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001451241044 1067154630 /nfs/dbraw/zinc/15/46/30/1067154630.db2.gz CQJFQLWNBLVSNA-HXUWFJFHSA-N 0 0 459.474 4.582 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001458820267 1067155444 /nfs/dbraw/zinc/15/54/44/1067155444.db2.gz MRZZLKCZCWSSSL-OAQYLSRUSA-N 0 0 454.914 4.573 20 5 JJBDRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001458845867 1067170565 /nfs/dbraw/zinc/17/05/65/1067170565.db2.gz YKPVFTZQJHEHEK-UHFFFAOYSA-N 0 0 457.483 4.779 20 5 JJBDRN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458852879 1067173803 /nfs/dbraw/zinc/17/38/03/1067173803.db2.gz GHPNWHNQWVZKGO-VHSXEESVSA-N 0 0 451.232 4.890 20 5 JJBDRN CS[C@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001458870383 1067180272 /nfs/dbraw/zinc/18/02/72/1067180272.db2.gz ULPDJCXOPFWSQT-OAQYLSRUSA-N 0 0 452.580 4.884 20 5 JJBDRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1F ZINC001458913302 1067194860 /nfs/dbraw/zinc/19/48/60/1067194860.db2.gz NHXVEFUVDHRHQD-UHFFFAOYSA-N 0 0 458.467 4.965 20 5 JJBDRN CC(C)C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)OC(C)(C)C ZINC001451898714 1067196395 /nfs/dbraw/zinc/19/63/95/1067196395.db2.gz CXFNCNZFPVBJLT-CQSZACIVSA-N 0 0 458.505 4.693 20 5 JJBDRN CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458976326 1067214781 /nfs/dbraw/zinc/21/47/81/1067214781.db2.gz GJPSUFNKUBVRIB-GOSISDBHSA-N 0 0 459.597 4.930 20 5 JJBDRN CCn1c(S[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458977722 1067215871 /nfs/dbraw/zinc/21/58/71/1067215871.db2.gz LKNRKNPABIVWCQ-WMLDXEAASA-N 0 0 457.581 4.779 20 5 JJBDRN Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n[nH]1 ZINC001452413342 1067222352 /nfs/dbraw/zinc/22/23/52/1067222352.db2.gz MARGZTICMCQQSQ-UHFFFAOYSA-N 0 0 454.899 4.775 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N[C@@H](c2cccs2)C(C)(C)CO)cc1[N+](=O)[O-])c1ccccn1 ZINC001452422075 1067222857 /nfs/dbraw/zinc/22/28/57/1067222857.db2.gz KYCHVVFXVSZFTA-BTYIYWSLSA-N 0 0 454.552 4.714 20 5 JJBDRN Cc1cc2oc(=O)cc(CSc3nc4cc([N+](=O)[O-])ccc4c(=O)n3C)c2cc1C(C)C ZINC001459025188 1067231368 /nfs/dbraw/zinc/23/13/68/1067231368.db2.gz FRORRVAHDPFTMF-UHFFFAOYSA-N 0 0 451.504 4.672 20 5 JJBDRN Cc1ccc(Br)cc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC001452534755 1067232550 /nfs/dbraw/zinc/23/25/50/1067232550.db2.gz SKXJADBJJJGDLZ-UHFFFAOYSA-N 0 0 459.300 4.767 20 5 JJBDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001459029903 1067233346 /nfs/dbraw/zinc/23/33/46/1067233346.db2.gz FYHRBSNEOSIWEE-KPZWWZAWSA-N 0 0 453.720 4.542 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(Br)cc2o1 ZINC001452551625 1067233733 /nfs/dbraw/zinc/23/37/33/1067233733.db2.gz HZKXHFPWUSFTOQ-UHFFFAOYSA-N 0 0 450.314 4.931 20 5 JJBDRN O=[N+]([O-])c1ccc(I)c(OCc2cc(Br)ccc2F)c1 ZINC001459030749 1067233770 /nfs/dbraw/zinc/23/37/70/1067233770.db2.gz ISCVLBBBXVTPOY-UHFFFAOYSA-N 0 0 452.017 4.680 20 5 JJBDRN O=[N+]([O-])c1ccc(I)c(OCc2cc(F)ccc2Br)c1 ZINC001459034372 1067235427 /nfs/dbraw/zinc/23/54/27/1067235427.db2.gz YBKAKUNEZGLUFC-UHFFFAOYSA-N 0 0 452.017 4.680 20 5 JJBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001459039594 1067236888 /nfs/dbraw/zinc/23/68/88/1067236888.db2.gz XDGYISVMTQKFRC-ZDUSSCGKSA-N 0 0 456.296 4.919 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001459065827 1067242885 /nfs/dbraw/zinc/24/28/85/1067242885.db2.gz ADVBLWGOENYBRD-FPFWAFECSA-N 0 0 469.197 4.720 20 5 JJBDRN COc1cc(C(=O)NCc2cccc(-c3cnco3)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001452711031 1067246073 /nfs/dbraw/zinc/24/60/73/1067246073.db2.gz GTTZNOMNBNGJIU-UHFFFAOYSA-N 0 0 459.458 4.767 20 5 JJBDRN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001452759622 1067249158 /nfs/dbraw/zinc/24/91/58/1067249158.db2.gz BOFZQXULQJUJIR-SFHVURJKSA-N 0 0 455.898 4.720 20 5 JJBDRN C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001452805365 1067254142 /nfs/dbraw/zinc/25/41/42/1067254142.db2.gz YUNYATCWQRLVQS-LJQANCHMSA-N 0 0 452.736 4.830 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001459119803 1067254928 /nfs/dbraw/zinc/25/49/28/1067254928.db2.gz HDFLMUWRJXLBCV-LHSJRXKWSA-N 0 0 453.322 4.675 20 5 JJBDRN Cn1cc(C(=O)Oc2cnc3ccc(Br)cc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001459122303 1067255492 /nfs/dbraw/zinc/25/54/92/1067255492.db2.gz WHJICPQYBUXDJS-UHFFFAOYSA-N 0 0 453.252 4.525 20 5 JJBDRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC001459132057 1067258066 /nfs/dbraw/zinc/25/80/66/1067258066.db2.gz ZSZQZSRSZSTQMI-UHFFFAOYSA-N 0 0 455.492 4.529 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)cc([N+](=O)[O-])c1 ZINC001459147890 1067260990 /nfs/dbraw/zinc/26/09/90/1067260990.db2.gz LABFEHXRDQRQSV-KRWDZBQOSA-N 0 0 453.264 4.554 20 5 JJBDRN COc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccc([N+](=O)[O-])cn2)CCC3)cc1Cl ZINC001459147383 1067260994 /nfs/dbraw/zinc/26/09/94/1067260994.db2.gz LIYQPJHYMQGFCT-UHFFFAOYSA-N 0 0 457.895 4.685 20 5 JJBDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001459194454 1067269463 /nfs/dbraw/zinc/26/94/63/1067269463.db2.gz LZVNUVRPRCXUJM-HNNXBMFYSA-N 0 0 455.736 4.778 20 5 JJBDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001459203762 1067270522 /nfs/dbraw/zinc/27/05/22/1067270522.db2.gz ZFFVKROZONCPGZ-OAHLLOKOSA-N 0 0 455.736 4.778 20 5 JJBDRN O=C(COc1cc(Cl)c([N+](=O)[O-])cc1Cl)NCCc1ccc(OC(F)(F)F)cc1 ZINC001459270496 1067280504 /nfs/dbraw/zinc/28/05/04/1067280504.db2.gz GAZZUYBCIYEKJW-UHFFFAOYSA-N 0 0 453.200 4.538 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Br ZINC001459314957 1067291637 /nfs/dbraw/zinc/29/16/37/1067291637.db2.gz CXPTYFLSHIXVDM-LLVKDONJSA-N 0 0 455.692 4.678 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001459317880 1067293063 /nfs/dbraw/zinc/29/30/63/1067293063.db2.gz BFTJBLNCSKRWAC-WMLDXEAASA-N 0 0 452.429 4.985 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1Br ZINC001459318790 1067293654 /nfs/dbraw/zinc/29/36/54/1067293654.db2.gz OGOIAIHPADKJEU-LLVKDONJSA-N 0 0 455.692 4.678 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC001453332730 1067298139 /nfs/dbraw/zinc/29/81/39/1067298139.db2.gz WNBAWPRUTRBBLC-KRWDZBQOSA-N 0 0 451.951 4.748 20 5 JJBDRN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c2cc(Br)ccc21 ZINC001453557028 1067314619 /nfs/dbraw/zinc/31/46/19/1067314619.db2.gz XJFQZKFUWREELY-UHFFFAOYSA-N 0 0 456.296 4.609 20 5 JJBDRN C[C@@H]1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C[C@@]1(C)CO ZINC001453683447 1067322008 /nfs/dbraw/zinc/32/20/08/1067322008.db2.gz CUDYWYSRZNLSCM-XQMAHPCNSA-N 0 0 451.548 4.612 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC001459482647 1067336316 /nfs/dbraw/zinc/33/63/16/1067336316.db2.gz KLJBXWZAJDEDAJ-HNNXBMFYSA-N 0 0 455.305 4.862 20 5 JJBDRN CCN(Cc1ccccc1Br)C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001459514431 1067342314 /nfs/dbraw/zinc/34/23/14/1067342314.db2.gz HIAKPCRCYMLQGL-UHFFFAOYSA-N 0 0 453.358 4.648 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC001459564178 1067352704 /nfs/dbraw/zinc/35/27/04/1067352704.db2.gz KZOOJEYXWOGQEV-JXFKEZNVSA-N 0 0 459.930 4.592 20 5 JJBDRN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001459579197 1067356074 /nfs/dbraw/zinc/35/60/74/1067356074.db2.gz LKLYDKXCZPITPR-QZTJIDSGSA-N 0 0 451.420 4.641 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)o1 ZINC001459615767 1067365047 /nfs/dbraw/zinc/36/50/47/1067365047.db2.gz OUXIIVFALPPMLW-IBGZPJMESA-N 0 0 454.870 4.627 20 5 JJBDRN Cc1cc2c(cc1Br)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC001459619249 1067366111 /nfs/dbraw/zinc/36/61/11/1067366111.db2.gz ITWWFYRNDMMARY-LLVKDONJSA-N 0 0 454.708 4.545 20 5 JJBDRN Cc1cc2c(cc1Br)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC001459619266 1067366124 /nfs/dbraw/zinc/36/61/24/1067366124.db2.gz ITWWFYRNDMMARY-NSHDSACASA-N 0 0 454.708 4.545 20 5 JJBDRN COCOc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001459713751 1067392866 /nfs/dbraw/zinc/39/28/66/1067392866.db2.gz DFCHLUCTCFZLGI-UHFFFAOYSA-N 0 0 458.474 4.611 20 5 JJBDRN C[C@H](CCc1ccc(I)cc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001459727829 1067397476 /nfs/dbraw/zinc/39/74/76/1067397476.db2.gz SISMZWDIFUBZIQ-LLVKDONJSA-N 0 0 458.683 4.604 20 5 JJBDRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001459753632 1067407466 /nfs/dbraw/zinc/40/74/66/1067407466.db2.gz HZCHELXKASFURE-IBGZPJMESA-N 0 0 453.539 4.671 20 5 JJBDRN O=C(NC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)OCc1ccccc1 ZINC001459754584 1067407895 /nfs/dbraw/zinc/40/78/95/1067407895.db2.gz WNXMSFIHXQWHPV-KRWDZBQOSA-N 0 0 453.520 4.588 20 5 JJBDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC001459756652 1067408851 /nfs/dbraw/zinc/40/88/51/1067408851.db2.gz NQBRGSRWDDRYNN-LLVKDONJSA-N 0 0 452.330 4.743 20 5 JJBDRN Cc1c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cccc1NC(=O)N(C)C ZINC001459766423 1067413949 /nfs/dbraw/zinc/41/39/49/1067413949.db2.gz QZDBEKRZUVTPJL-HZPDHXFCSA-N 0 0 453.543 4.731 20 5 JJBDRN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001459771727 1067415616 /nfs/dbraw/zinc/41/56/16/1067415616.db2.gz FWPBQYIVWHHNKH-UHFFFAOYSA-N 0 0 450.282 4.539 20 5 JJBDRN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001459783631 1067420483 /nfs/dbraw/zinc/42/04/83/1067420483.db2.gz BKGCPYWGFYKFNW-MZKRTTBSSA-N 0 0 453.583 4.845 20 5 JJBDRN CN(Cc1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797727 1067428216 /nfs/dbraw/zinc/42/82/16/1067428216.db2.gz QAPFZRXGFSZTNG-YIONKMFJSA-N 0 0 454.365 4.720 20 5 JJBDRN COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818469 1067436993 /nfs/dbraw/zinc/43/69/93/1067436993.db2.gz KHZDUGYTDFCPAJ-VFNWGFHPSA-N 0 0 452.536 4.749 20 5 JJBDRN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818464 1067437235 /nfs/dbraw/zinc/43/72/35/1067437235.db2.gz KHZDUGYTDFCPAJ-QVKFZJNVSA-N 0 0 452.536 4.749 20 5 JJBDRN Cn1cc(C(=O)Nc2cc3ccccc3nc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001459829292 1067442522 /nfs/dbraw/zinc/44/25/22/1067442522.db2.gz LSOKDPFGBGIXLF-UHFFFAOYSA-N 0 0 452.268 4.558 20 5 JJBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001459833038 1067444910 /nfs/dbraw/zinc/44/49/10/1067444910.db2.gz MHUDPHISMDJHHS-UHFFFAOYSA-N 0 0 456.680 4.510 20 5 JJBDRN COC[C@@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC001459835954 1067446497 /nfs/dbraw/zinc/44/64/97/1067446497.db2.gz MVURZWPHUSRWMD-OAHLLOKOSA-N 0 0 456.808 4.794 20 5 JJBDRN Cc1nc(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc1Cc1ccc(C)cc1 ZINC001459885835 1067473080 /nfs/dbraw/zinc/47/30/80/1067473080.db2.gz ZRPRHGIKPVVTNE-UHFFFAOYSA-N 0 0 450.564 4.862 20 5 JJBDRN O=C(CN1CC=C(c2cccc(Br)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001459914276 1067488243 /nfs/dbraw/zinc/48/82/43/1067488243.db2.gz XTRSHJRDXQNGEB-UHFFFAOYSA-N 0 0 450.720 4.739 20 5 JJBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC001459927980 1067495391 /nfs/dbraw/zinc/49/53/91/1067495391.db2.gz FCZMSHYMVLKNJI-UHFFFAOYSA-N 0 0 456.296 4.859 20 5 JJBDRN C[C@@H](C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cc1F ZINC001459935335 1067498565 /nfs/dbraw/zinc/49/85/65/1067498565.db2.gz KZTXFGAOXXUOSX-SECBINFHSA-N 0 0 456.377 4.893 20 5 JJBDRN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001459952673 1067504928 /nfs/dbraw/zinc/50/49/28/1067504928.db2.gz PBRVVBHPCICGMM-DYVFJYSZSA-N 0 0 450.276 4.813 20 5 JJBDRN Cc1cc(O[C@H](C)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1Cl ZINC001460004709 1067523636 /nfs/dbraw/zinc/52/36/36/1067523636.db2.gz JPLUDINNLQWKIM-GFCCVEGCSA-N 0 0 453.720 4.671 20 5 JJBDRN Cc1nc(-c2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cc2)cs1 ZINC001460004829 1067523714 /nfs/dbraw/zinc/52/37/14/1067523714.db2.gz LIDAXNVYKROKAE-UHFFFAOYSA-N 0 0 458.337 4.988 20 5 JJBDRN O=C(OCc1cc(Cl)sc1Cl)c1cc([N+](=O)[O-])ccc1I ZINC001460043196 1067537608 /nfs/dbraw/zinc/53/76/08/1067537608.db2.gz CMFIUDQVJRDSER-UHFFFAOYSA-N 0 0 458.060 4.925 20 5 JJBDRN Cc1ccc([C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC001460051827 1067539747 /nfs/dbraw/zinc/53/97/47/1067539747.db2.gz BHGCPYHVJYIVCE-HXUWFJFHSA-N 0 0 459.287 4.782 20 5 JJBDRN O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460053172 1067539926 /nfs/dbraw/zinc/53/99/26/1067539926.db2.gz VVIUNVRYRZTVNG-UHFFFAOYSA-N 0 0 455.902 4.513 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1 ZINC001460063747 1067543279 /nfs/dbraw/zinc/54/32/79/1067543279.db2.gz URRZGSDPGAOHNT-GOSISDBHSA-N 0 0 456.524 4.574 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC001460099068 1067554806 /nfs/dbraw/zinc/55/48/06/1067554806.db2.gz FOPGUKKNPKPOQP-UHFFFAOYSA-N 0 0 453.973 4.721 20 5 JJBDRN COc1cc(CN2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001460108277 1067556625 /nfs/dbraw/zinc/55/66/25/1067556625.db2.gz ZKDVLNDBGSQOTN-HXUWFJFHSA-N 0 0 451.539 4.600 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001460109906 1067556994 /nfs/dbraw/zinc/55/69/94/1067556994.db2.gz GUVSLJRCCXSLQR-RBUKOAKNSA-N 0 0 451.552 4.578 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)cc1SC ZINC001460229093 1067584689 /nfs/dbraw/zinc/58/46/89/1067584689.db2.gz CQCUKIPHJBHTPK-ZDUSSCGKSA-N 0 0 455.305 4.644 20 5 JJBDRN CC(C)(C)OC(=O)c1ccccc1OCCN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460248607 1067591177 /nfs/dbraw/zinc/59/11/77/1067591177.db2.gz RVZWWECBGUMSQR-GOSISDBHSA-N 0 0 458.408 4.961 20 5 JJBDRN Nc1c(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001460285124 1067598603 /nfs/dbraw/zinc/59/86/03/1067598603.db2.gz HBOMVRWKDXZRMU-HNNXBMFYSA-N 0 0 454.324 4.798 20 5 JJBDRN CO[C@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC001460287693 1067599267 /nfs/dbraw/zinc/59/92/67/1067599267.db2.gz YQHOXBMZVCNMHF-AREMUKBSSA-N 0 0 451.567 4.599 20 5 JJBDRN Cc1c(Br)cc(C(=O)NC/C=C\c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001460341409 1067611892 /nfs/dbraw/zinc/61/18/92/1067611892.db2.gz LRPJHDJMVNDWPJ-IHWYPQMZSA-N 0 0 454.118 4.871 20 5 JJBDRN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCS[C@H](c2ccccc2)C1 ZINC001460357907 1067617330 /nfs/dbraw/zinc/61/73/30/1067617330.db2.gz DQDJZNSTYNWJHB-YWZLYKJASA-N 0 0 454.577 4.835 20 5 JJBDRN CCOC(=O)c1cc(COC)cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC001460363805 1067619118 /nfs/dbraw/zinc/61/91/18/1067619118.db2.gz UZEABQLRTWZCRI-UHFFFAOYSA-N 0 0 450.447 4.963 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001460392384 1067625339 /nfs/dbraw/zinc/62/53/39/1067625339.db2.gz CQCCNJKAHARLMU-INIZCTEOSA-N 0 0 457.836 4.749 20 5 JJBDRN O=C(NC1(Cc2ccccc2Br)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460471335 1067639996 /nfs/dbraw/zinc/63/99/96/1067639996.db2.gz LRCIQDDMCYCXPC-UHFFFAOYSA-N 0 0 458.337 4.986 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001460578257 1067659589 /nfs/dbraw/zinc/65/95/89/1067659589.db2.gz ATXCVPGMXOETMK-GOSISDBHSA-N 0 0 450.539 4.593 20 5 JJBDRN CCOc1ccc(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001460584255 1067662382 /nfs/dbraw/zinc/66/23/82/1067662382.db2.gz LNGCQYWFJGJQMY-UHFFFAOYSA-N 0 0 457.845 4.859 20 5 JJBDRN COc1cccc(OC(F)(F)F)c1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001460600058 1067666476 /nfs/dbraw/zinc/66/64/76/1067666476.db2.gz SZPMSXZOPZHLPP-UHFFFAOYSA-N 0 0 454.382 4.983 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001460611312 1067669779 /nfs/dbraw/zinc/66/97/79/1067669779.db2.gz CULYJAXJOHGIRO-HYBUGGRVSA-N 0 0 457.502 4.668 20 5 JJBDRN CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001460614363 1067672949 /nfs/dbraw/zinc/67/29/49/1067672949.db2.gz UIFDYNLDOLNDEP-SDNWHVSQSA-N 0 0 459.458 4.676 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1Cl ZINC001460614961 1067673482 /nfs/dbraw/zinc/67/34/82/1067673482.db2.gz DWQLMDBYKCQUAY-UHFFFAOYSA-N 0 0 454.792 4.641 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC001460672615 1067695586 /nfs/dbraw/zinc/69/55/86/1067695586.db2.gz DYTIBNZMZTZFBC-UHFFFAOYSA-N 0 0 455.378 4.512 20 5 JJBDRN COc1cc(C(=O)O[C@@H](C)c2ccc(N(C)C)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460678864 1067698675 /nfs/dbraw/zinc/69/86/75/1067698675.db2.gz VYWZTTIKMBLUTG-INIZCTEOSA-N 0 0 451.479 4.561 20 5 JJBDRN O=C(NC1CC1)OC[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001460681654 1067699621 /nfs/dbraw/zinc/69/96/21/1067699621.db2.gz JLSBGWHYSYMOMU-IBGZPJMESA-N 0 0 455.536 4.629 20 5 JJBDRN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460738160 1067712558 /nfs/dbraw/zinc/71/25/58/1067712558.db2.gz NWYRZWCHMGSOLT-GYCJOSAFSA-N 0 0 457.527 4.529 20 5 JJBDRN COc1cccc([C@H]2C[C@H](N(C)C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)c1 ZINC001460854715 1067735163 /nfs/dbraw/zinc/73/51/63/1067735163.db2.gz JEQAYAGPEOGYAC-JCNLHEQBSA-N 0 0 451.445 4.829 20 5 JJBDRN CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)co1 ZINC001460918938 1067747816 /nfs/dbraw/zinc/74/78/16/1067747816.db2.gz YDYVPUBKFCJPSA-IWAYRVGRSA-N 0 0 458.364 4.715 20 5 JJBDRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)co1 ZINC001460918954 1067748112 /nfs/dbraw/zinc/74/81/12/1067748112.db2.gz YDYVPUBKFCJPSA-QWPQOLDESA-N 0 0 458.364 4.715 20 5 JJBDRN CN(CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460974805 1067755640 /nfs/dbraw/zinc/75/56/40/1067755640.db2.gz SRQOYVRMHVKAPP-MRXNPFEDSA-N 0 0 456.381 4.969 20 5 JJBDRN Cc1cc(C)c(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(OCc2ccccc2)n1 ZINC001460997114 1067760168 /nfs/dbraw/zinc/76/01/68/1067760168.db2.gz QWOYMHPUKNXDSR-UHFFFAOYSA-N 0 0 451.435 4.759 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001461075661 1067776788 /nfs/dbraw/zinc/77/67/88/1067776788.db2.gz SYCRNWXUIGCAFO-SFHVURJKSA-N 0 0 453.539 4.989 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)c1 ZINC001461124634 1067786053 /nfs/dbraw/zinc/78/60/53/1067786053.db2.gz MCTUQJOITDCTIE-UHFFFAOYSA-N 0 0 451.327 4.850 20 5 JJBDRN COc1ccc(CSCC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cc1[N+](=O)[O-] ZINC001461126524 1067786409 /nfs/dbraw/zinc/78/64/09/1067786409.db2.gz JHXAOYLRPDXNKB-UHFFFAOYSA-N 0 0 450.929 4.647 20 5 JJBDRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001461184863 1067795005 /nfs/dbraw/zinc/79/50/05/1067795005.db2.gz MFGGXZUFSSKZRS-UHFFFAOYSA-N 0 0 452.488 4.935 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OCCC(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC001461225795 1067803939 /nfs/dbraw/zinc/80/39/39/1067803939.db2.gz VYCGSDVTKYOLPU-OAQYLSRUSA-N 0 0 457.502 4.711 20 5 JJBDRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCCC1 ZINC001546122838 1067812003 /nfs/dbraw/zinc/81/20/03/1067812003.db2.gz ZGGSJSWUCIDKDF-UHFFFAOYSA-N 0 0 456.591 4.710 20 5 JJBDRN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cnn(CC(F)(F)F)c3)o2)c(Br)c1 ZINC001461284333 1067817528 /nfs/dbraw/zinc/81/75/28/1067817528.db2.gz ALTISDMOTIMBNF-UHFFFAOYSA-N 0 0 459.222 4.666 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461318844 1067827327 /nfs/dbraw/zinc/82/73/27/1067827327.db2.gz WEIXKPVZNBSNGI-UHFFFAOYSA-N 0 0 456.384 4.546 20 5 JJBDRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001461417523 1067851351 /nfs/dbraw/zinc/85/13/51/1067851351.db2.gz VQUHSTKFGGDANB-OAQYLSRUSA-N 0 0 452.429 4.886 20 5 JJBDRN CC(=O)N1CCN(Cc2ccccc2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC001461440796 1067857306 /nfs/dbraw/zinc/85/73/06/1067857306.db2.gz FOIHMAXMHSCPCD-UHFFFAOYSA-N 0 0 450.564 4.600 20 5 JJBDRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001461450902 1067859976 /nfs/dbraw/zinc/85/99/76/1067859976.db2.gz OMJDOBCEGBZZAF-HNNXBMFYSA-N 0 0 458.312 4.739 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001461474127 1067867792 /nfs/dbraw/zinc/86/77/92/1067867792.db2.gz GDDPXTSVPACZAL-KAOXLYBCSA-N 0 0 465.550 4.608 20 5 JJBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001461482074 1067871797 /nfs/dbraw/zinc/87/17/97/1067871797.db2.gz GNTPRFMMIQQIDP-INIZCTEOSA-N 0 0 452.248 4.550 20 5 JJBDRN COc1ccc(Br)c2sc(NC(=O)CSc3ccccc3[N+](=O)[O-])nc21 ZINC001461518668 1067880656 /nfs/dbraw/zinc/88/06/56/1067880656.db2.gz IAKMXCANSBSELK-UHFFFAOYSA-N 0 0 454.327 4.706 20 5 JJBDRN CCc1cc(Br)c(C)nc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001461522722 1067881025 /nfs/dbraw/zinc/88/10/25/1067881025.db2.gz LDEQGJYGYCPPCA-UHFFFAOYSA-N 0 0 450.336 4.822 20 5 JJBDRN COc1ccc(CNc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1[N+](=O)[O-] ZINC001461565829 1067889765 /nfs/dbraw/zinc/88/97/65/1067889765.db2.gz XNMVBRMRUAKRKA-UHFFFAOYSA-N 0 0 451.708 4.876 20 5 JJBDRN CCOc1ccc(C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1[N+](=O)[O-] ZINC001461638203 1067907279 /nfs/dbraw/zinc/90/72/79/1067907279.db2.gz YTRDRHMWPRMRJM-UHFFFAOYSA-N 0 0 455.511 4.611 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(Cl)n3nc(C)cc3n2)cc1 ZINC001461687294 1067918241 /nfs/dbraw/zinc/91/82/41/1067918241.db2.gz WNZNEHXCXKXNQU-UHFFFAOYSA-N 0 0 453.842 4.653 20 5 JJBDRN Cc1cccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)nc2)c1 ZINC001461685651 1067918280 /nfs/dbraw/zinc/91/82/80/1067918280.db2.gz FXLKEWIHSMKUFT-UHFFFAOYSA-N 0 0 459.243 4.822 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc(F)cc1 ZINC001461704994 1067922475 /nfs/dbraw/zinc/92/24/75/1067922475.db2.gz JHSCDJQGOXRDSS-QGZVFWFLSA-N 0 0 454.458 4.529 20 5 JJBDRN CNC(=O)N(C)c1ccc(NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC001461717382 1067924041 /nfs/dbraw/zinc/92/40/41/1067924041.db2.gz NSZOXLREXUQCIX-UHFFFAOYSA-N 0 0 450.495 4.570 20 5 JJBDRN COc1ccc(-c2ccc(CNc3ccc(C(N)=O)c(N4CCCCC4)c3)o2)c([N+](=O)[O-])c1 ZINC001461732409 1067927050 /nfs/dbraw/zinc/92/70/50/1067927050.db2.gz VERVMVRLVQXNFD-UHFFFAOYSA-N 0 0 450.495 4.565 20 5 JJBDRN Cc1cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)OC(C)(C)C ZINC001461767083 1067933076 /nfs/dbraw/zinc/93/30/76/1067933076.db2.gz AJBXAPLDVKXNOE-UHFFFAOYSA-N 0 0 451.483 4.903 20 5 JJBDRN O=C(Nc1cnc(Br)c2ccccc12)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001461870475 1067951195 /nfs/dbraw/zinc/95/11/95/1067951195.db2.gz MVZFLHNTZZTEOS-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001461920830 1067961406 /nfs/dbraw/zinc/96/14/06/1067961406.db2.gz NBMAHEGVOPDMEL-BIRYMOPTSA-N 0 0 457.958 4.572 20 5 JJBDRN O=C(Nc1cc(F)c(Cl)cc1I)c1c(Cl)cccc1[N+](=O)[O-] ZINC001461948572 1067967109 /nfs/dbraw/zinc/96/71/09/1067967109.db2.gz WKZFSHBJRBULBX-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001461973948 1067972339 /nfs/dbraw/zinc/97/23/39/1067972339.db2.gz HSYWZBAPBCRTGA-KBPBESRZSA-N 0 0 452.157 4.816 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001461997974 1067977578 /nfs/dbraw/zinc/97/75/78/1067977578.db2.gz QVGKTGGYPJHRCY-KRWDZBQOSA-N 0 0 453.442 4.758 20 5 JJBDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001462106219 1068004117 /nfs/dbraw/zinc/00/41/17/1068004117.db2.gz TYYZIQQOQFPJJR-YJBOKZPZSA-N 0 0 458.356 4.976 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC001462146227 1068014927 /nfs/dbraw/zinc/01/49/27/1068014927.db2.gz MEHNASQVDNAEDI-DOTOQJQBSA-N 0 0 476.327 4.990 20 5 JJBDRN COc1cc(C(=O)N2C[C@@H](C)Cc3cccc(F)c32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001462310542 1068048800 /nfs/dbraw/zinc/04/88/00/1068048800.db2.gz CCWXXOGHWZJNGV-ZDUSSCGKSA-N 0 0 457.483 4.617 20 5 JJBDRN CC1(C)CC[C@@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)[C@H](c2ccccc2)C1 ZINC001462375048 1068062355 /nfs/dbraw/zinc/06/23/55/1068062355.db2.gz ZWHSEHREIWNQQZ-PKOBYXMFSA-N 0 0 457.477 4.512 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001462596501 1068108345 /nfs/dbraw/zinc/10/83/45/1068108345.db2.gz IMBUZJOEHWPVTQ-UHFFFAOYSA-N 0 0 452.614 4.663 20 5 JJBDRN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462632063 1068118156 /nfs/dbraw/zinc/11/81/56/1068118156.db2.gz XHQJXLZNNXWZAN-KRWDZBQOSA-N 0 0 453.804 4.739 20 5 JJBDRN O=C(NCc1cc(Br)c2ccccc2c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001462708847 1068138865 /nfs/dbraw/zinc/13/88/65/1068138865.db2.gz YEENKCDXRRMMPO-UHFFFAOYSA-N 0 0 457.280 4.602 20 5 JJBDRN O=C(NCc1cc(C(F)(F)F)ccc1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001462725732 1068143880 /nfs/dbraw/zinc/14/38/80/1068143880.db2.gz WLSLMCBQFCVHLP-UHFFFAOYSA-N 0 0 458.234 4.880 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1OC ZINC001462786636 1068167524 /nfs/dbraw/zinc/16/75/24/1068167524.db2.gz BWMOXMWHBXJXBN-UHFFFAOYSA-N 0 0 456.426 4.812 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c(C(F)(F)F)c1 ZINC001462851444 1068190465 /nfs/dbraw/zinc/19/04/65/1068190465.db2.gz GDCIXNGSLHNJDI-AWEZNQCLSA-N 0 0 453.442 4.663 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c(C(F)(F)F)c1 ZINC001462851450 1068190533 /nfs/dbraw/zinc/19/05/33/1068190533.db2.gz GDCIXNGSLHNJDI-CQSZACIVSA-N 0 0 453.442 4.663 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)c(Cl)cc1Cl ZINC001462866987 1068196758 /nfs/dbraw/zinc/19/67/58/1068196758.db2.gz FLNXCIGOVKLCNG-UHFFFAOYSA-N 0 0 456.282 4.831 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC001462873872 1068198490 /nfs/dbraw/zinc/19/84/90/1068198490.db2.gz HHNQYMKXAGDEOK-QFIPXVFZSA-N 0 0 452.532 4.790 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC001462874652 1068199096 /nfs/dbraw/zinc/19/90/96/1068199096.db2.gz IPXIBRDDSASAGC-NRFANRHFSA-N 0 0 452.532 4.790 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(Cc2cc(Br)ccc2F)C(C)C)c1 ZINC001462932001 1068219900 /nfs/dbraw/zinc/21/99/00/1068219900.db2.gz LOPGRIWQGQJVMX-UHFFFAOYSA-N 0 0 459.337 4.713 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCCC2)c(C)c1[N+](=O)[O-] ZINC001462972692 1068234129 /nfs/dbraw/zinc/23/41/29/1068234129.db2.gz SAVLPVWSDLLGFP-UHFFFAOYSA-N 0 0 453.904 4.521 20 5 JJBDRN COC(=O)c1cc2cccnc2c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC001463005068 1068246915 /nfs/dbraw/zinc/24/69/15/1068246915.db2.gz MKWCGCFPVXPUTI-UHFFFAOYSA-N 0 0 456.458 4.794 20 5 JJBDRN Cc1ccc(COc2ccc(C[C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)cc1 ZINC001463015148 1068252155 /nfs/dbraw/zinc/25/21/55/1068252155.db2.gz MQSNWLMFCAQEOW-IBGZPJMESA-N 0 0 454.548 4.700 20 5 JJBDRN Cc1csc(-c2cccc(OS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2)n1 ZINC001463016722 1068253270 /nfs/dbraw/zinc/25/32/70/1068253270.db2.gz LHDZIKNRUYCLRI-UHFFFAOYSA-N 0 0 455.311 4.557 20 5 JJBDRN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001463027154 1068256399 /nfs/dbraw/zinc/25/63/99/1068256399.db2.gz ZDIPGFMBKMRHIH-KRWDZBQOSA-N 0 0 458.511 4.536 20 5 JJBDRN O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)c1cccc([N+](=O)[O-])c1 ZINC001463026426 1068256413 /nfs/dbraw/zinc/25/64/13/1068256413.db2.gz TUHIWLSEIXGIST-UHFFFAOYSA-N 0 0 458.371 4.997 20 5 JJBDRN Cc1noc(C[C@@H]2CCCN(C(=O)c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2)n1 ZINC001463084263 1068281857 /nfs/dbraw/zinc/28/18/57/1068281857.db2.gz QDXJXUQODYHVTQ-KRWDZBQOSA-N 0 0 452.536 4.841 20 5 JJBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1ccc(Cl)s1 ZINC001463107026 1068289578 /nfs/dbraw/zinc/28/95/78/1068289578.db2.gz BEEFHZUTYLQSHM-JTQLQIEISA-N 0 0 453.767 4.810 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC001463115583 1068292180 /nfs/dbraw/zinc/29/21/80/1068292180.db2.gz GPCZXRXJNVTRHD-UHFFFAOYSA-N 0 0 452.897 4.638 20 5 JJBDRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC001463117202 1068293382 /nfs/dbraw/zinc/29/33/82/1068293382.db2.gz PRLCUXKBJWKSTN-NRFANRHFSA-N 0 0 458.511 4.622 20 5 JJBDRN Cc1cc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])cc(C(F)(F)F)c3C)n2)ccc1F ZINC001463164301 1068307555 /nfs/dbraw/zinc/30/75/55/1068307555.db2.gz DLBRVXWCBLBZOM-UHFFFAOYSA-N 0 0 452.364 4.991 20 5 JJBDRN C[C@@H]1Cc2cc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc(Cl)c2O1 ZINC001463188510 1068314660 /nfs/dbraw/zinc/31/46/60/1068314660.db2.gz UYSSVOPSARPBHF-OAHLLOKOSA-N 0 0 458.923 4.967 20 5 JJBDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001463251224 1068335044 /nfs/dbraw/zinc/33/50/44/1068335044.db2.gz MFUNOBVURKPNNX-AEFFLSMTSA-N 0 0 453.358 4.704 20 5 JJBDRN COc1ccc(-c2ccc(CNS(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3C)s2)cc1 ZINC001463266133 1068339252 /nfs/dbraw/zinc/33/92/52/1068339252.db2.gz NTWBYHGLHWHULJ-UHFFFAOYSA-N 0 0 452.941 4.772 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC001463282413 1068343708 /nfs/dbraw/zinc/34/37/08/1068343708.db2.gz PYZYDGYBVSYBAV-HXUWFJFHSA-N 0 0 458.923 4.745 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2F)C2CCCC2)ccc1Br ZINC001463289427 1068345723 /nfs/dbraw/zinc/34/57/23/1068345723.db2.gz WNOFEIGXWQAUED-SFHVURJKSA-N 0 0 457.321 4.706 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2F)C2CCCC2)ccc1Br ZINC001463289422 1068345879 /nfs/dbraw/zinc/34/58/79/1068345879.db2.gz WNOFEIGXWQAUED-GOSISDBHSA-N 0 0 457.321 4.706 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC001463318029 1068354342 /nfs/dbraw/zinc/35/43/42/1068354342.db2.gz AMLABWDTQSIDEV-OAQYLSRUSA-N 0 0 458.923 4.745 20 5 JJBDRN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(C)c1[N+](=O)[O-] ZINC001463332044 1068359376 /nfs/dbraw/zinc/35/93/76/1068359376.db2.gz AIDJRWKZLFSZFR-UHFFFAOYSA-N 0 0 455.266 4.598 20 5 JJBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@@H](C)c1ccccc1C(F)(F)F ZINC001463363242 1068372568 /nfs/dbraw/zinc/37/25/68/1068372568.db2.gz WQPQYKJDPNSZHK-CHWSQXEVSA-N 0 0 453.442 4.632 20 5 JJBDRN C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463392076 1068382377 /nfs/dbraw/zinc/38/23/77/1068382377.db2.gz XJVTTZSDZHTPGG-VIFPVBQESA-N 0 0 457.257 4.830 20 5 JJBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001463399599 1068384386 /nfs/dbraw/zinc/38/43/86/1068384386.db2.gz VIVUYYRIOFSTMA-UHFFFAOYSA-N 0 0 450.875 4.701 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001463402050 1068385337 /nfs/dbraw/zinc/38/53/37/1068385337.db2.gz XJODTXZXALLESN-REWPJTCUSA-N 0 0 452.532 4.743 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001463427751 1068393807 /nfs/dbraw/zinc/39/38/07/1068393807.db2.gz BNMMZHHKJOPKQX-HOTGVXAUSA-N 0 0 458.458 4.579 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC001463430319 1068394665 /nfs/dbraw/zinc/39/46/65/1068394665.db2.gz CUHYPXJJHULLPZ-UHFFFAOYSA-N 0 0 450.385 4.640 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001463449884 1068400879 /nfs/dbraw/zinc/40/08/79/1068400879.db2.gz GHOCCNHDAOONKU-CYBMUJFWSA-N 0 0 454.280 4.502 20 5 JJBDRN COc1c(F)cc(S(=O)(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] ZINC001463463503 1068408319 /nfs/dbraw/zinc/40/83/19/1068408319.db2.gz ZJDAASBNDRBMPB-UHFFFAOYSA-N 0 0 450.532 4.509 20 5 JJBDRN Cc1ccc([C@H](CC(F)(F)F)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001463467327 1068410792 /nfs/dbraw/zinc/41/07/92/1068410792.db2.gz FXYUZZZIYKACSG-ZDUSSCGKSA-N 0 0 456.364 4.894 20 5 JJBDRN COc1cc(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001463473193 1068413725 /nfs/dbraw/zinc/41/37/25/1068413725.db2.gz KERCJOGYPMKFLR-LBPRGKRZSA-N 0 0 459.911 4.884 20 5 JJBDRN CCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC001463501812 1068421114 /nfs/dbraw/zinc/42/11/14/1068421114.db2.gz GEYKYRHENCJQKV-HNNXBMFYSA-N 0 0 456.364 4.758 20 5 JJBDRN C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001463532508 1068430000 /nfs/dbraw/zinc/43/00/00/1068430000.db2.gz KTJBRCLJBHGMAE-SNVBAGLBSA-N 0 0 456.364 4.714 20 5 JJBDRN CC(C)c1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccc(Cl)cc1 ZINC001463540623 1068435132 /nfs/dbraw/zinc/43/51/32/1068435132.db2.gz HDZPUYNVPAETJH-UHFFFAOYSA-N 0 0 453.930 4.520 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001463606510 1068464130 /nfs/dbraw/zinc/46/41/30/1068464130.db2.gz JRZKQACOKUEJSN-LBPRGKRZSA-N 0 0 456.904 4.602 20 5 JJBDRN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC001463609566 1068465502 /nfs/dbraw/zinc/46/55/02/1068465502.db2.gz RIIXWTMOVDCXHP-OAHLLOKOSA-N 0 0 450.513 4.565 20 5 JJBDRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c(C)c1[N+](=O)[O-] ZINC001463642116 1068478120 /nfs/dbraw/zinc/47/81/20/1068478120.db2.gz MAHGIIGRUWKGPO-IBGZPJMESA-N 0 0 458.515 4.657 20 5 JJBDRN CC[C@H](C)c1ccc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 ZINC001463692998 1068496080 /nfs/dbraw/zinc/49/60/80/1068496080.db2.gz NCSUGVNEINWHJB-ZDUSSCGKSA-N 0 0 453.358 4.618 20 5 JJBDRN O=C(c1ccccc1NCc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001463702687 1068499852 /nfs/dbraw/zinc/49/98/52/1068499852.db2.gz MKSANDSEINJJNA-UHFFFAOYSA-N 0 0 450.926 4.823 20 5 JJBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463701379 1068499868 /nfs/dbraw/zinc/49/98/68/1068499868.db2.gz PQHCZIMKHOLFFK-UHFFFAOYSA-N 0 0 456.364 4.762 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br ZINC001463735937 1068507933 /nfs/dbraw/zinc/50/79/33/1068507933.db2.gz FDHGRIPHDCVMRT-MRXNPFEDSA-N 0 0 453.358 4.542 20 5 JJBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463742062 1068509289 /nfs/dbraw/zinc/50/92/89/1068509289.db2.gz XFBRFHWZIXYZKD-LBPRGKRZSA-N 0 0 453.343 4.504 20 5 JJBDRN CCOc1ccccc1-c1cccc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC001463761007 1068515833 /nfs/dbraw/zinc/51/58/33/1068515833.db2.gz FUYZNFOCRRSTIN-UHFFFAOYSA-N 0 0 450.491 4.650 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001463855972 1068548705 /nfs/dbraw/zinc/54/87/05/1068548705.db2.gz XJMQYCSLWXYIQZ-FUHWJXTLSA-N 0 0 453.358 4.623 20 5 JJBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC001463927523 1068567794 /nfs/dbraw/zinc/56/77/94/1068567794.db2.gz XBWHPEFIVIFJBO-UHFFFAOYSA-N 0 0 453.358 4.636 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCc1cccc(Oc2ccccc2F)c1 ZINC001464000478 1068584998 /nfs/dbraw/zinc/58/49/98/1068584998.db2.gz CLBBMTZEAUJEEZ-UHFFFAOYSA-N 0 0 450.875 4.967 20 5 JJBDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(Br)cc4[N+](=O)[O-])CC3)c2c1 ZINC001464178277 1068644215 /nfs/dbraw/zinc/64/42/15/1068644215.db2.gz RRKDKFLIAMPKGE-UHFFFAOYSA-N 0 0 456.296 4.777 20 5 JJBDRN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)sc2C1 ZINC001546145272 1068654931 /nfs/dbraw/zinc/65/49/31/1068654931.db2.gz HBNLIXKYQHJDRK-NSHDSACASA-N 0 0 458.569 4.724 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464236099 1068668346 /nfs/dbraw/zinc/66/83/46/1068668346.db2.gz IGHHEINHXZVISZ-DGCLKSJQSA-N 0 0 459.749 4.577 20 5 JJBDRN Cc1nc(C(C)(C)C)sc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464292473 1068694335 /nfs/dbraw/zinc/69/43/35/1068694335.db2.gz VGLWEPAXDWYOBK-QGZVFWFLSA-N 0 0 459.568 4.899 20 5 JJBDRN CCON([C@@H](C)c1cccc(Br)c1)S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001464326973 1068707316 /nfs/dbraw/zinc/70/73/16/1068707316.db2.gz BDMJLKRCXPZJTF-ZDUSSCGKSA-N 0 0 457.346 4.623 20 5 JJBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1Cl ZINC001464339262 1068712225 /nfs/dbraw/zinc/71/22/25/1068712225.db2.gz YDGJFZYOXZRLQC-INIZCTEOSA-N 0 0 456.667 4.830 20 5 JJBDRN CC(C)(C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001464434723 1068743838 /nfs/dbraw/zinc/74/38/38/1068743838.db2.gz IBIDPKZWWNBZEG-SFHVURJKSA-N 0 0 459.502 4.586 20 5 JJBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC)c2cccc3ccccc32)cc([N+](=O)[O-])c1C ZINC001464562198 1068782580 /nfs/dbraw/zinc/78/25/80/1068782580.db2.gz QVNJOSVABIJRHB-OAQYLSRUSA-N 0 0 456.520 4.663 20 5 JJBDRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001464567307 1068784108 /nfs/dbraw/zinc/78/41/08/1068784108.db2.gz XHDMLNUQNIDVRL-IFXJQAMLSA-N 0 0 451.292 4.736 20 5 JJBDRN CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1c1ccccc1 ZINC001464658844 1068815072 /nfs/dbraw/zinc/81/50/72/1068815072.db2.gz ASBMFAWMXOWNDX-MRXNPFEDSA-N 0 0 453.358 4.562 20 5 JJBDRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC3)cs1 ZINC001164690844 719804135 /nfs/dbraw/zinc/80/41/35/719804135.db2.gz ATWNUVUYTNQUHY-UHFFFAOYSA-N 0 0 457.934 4.588 20 5 JJBDRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)cs1 ZINC001164691971 719806830 /nfs/dbraw/zinc/80/68/30/719806830.db2.gz CWZSXEGZASZWPG-UHFFFAOYSA-N 0 0 457.934 4.588 20 5 JJBDRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CCC[C@]12CCC(=O)N2 ZINC001164849981 720759183 /nfs/dbraw/zinc/75/91/83/720759183.db2.gz VHMWTDCVXNZHOS-RXVVDRJESA-N 0 0 464.900 4.883 20 5 JJBDRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)cs1 ZINC001164749399 720865725 /nfs/dbraw/zinc/86/57/25/720865725.db2.gz NECVVZYWUIWPKR-KRWDZBQOSA-N 0 0 467.885 4.593 20 5 JJBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164779920 721347538 /nfs/dbraw/zinc/34/75/38/721347538.db2.gz XCEBPMMUOIWILL-DEOSSOPVSA-N 0 0 485.972 4.520 20 5 JJBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1 ZINC001164786082 721354322 /nfs/dbraw/zinc/35/43/22/721354322.db2.gz WBNPMRWGXLGXGN-XMMPIXPASA-N 0 0 485.972 4.520 20 5 JJBDRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccsc1 ZINC001164881262 721360752 /nfs/dbraw/zinc/36/07/52/721360752.db2.gz ARGHTBCPACHJBO-ROUUACIJSA-N 0 0 491.907 4.696 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164788846 721410564 /nfs/dbraw/zinc/41/05/64/721410564.db2.gz SDRTXFXOPSGSSN-KBPBESRZSA-N 0 0 475.933 4.599 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164780439 721439624 /nfs/dbraw/zinc/43/96/24/721439624.db2.gz AGQKPMRHVTXKFT-HZPDHXFCSA-N 0 0 491.951 4.880 20 5 JJBDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CCO3)cs1 ZINC001164782670 721442826 /nfs/dbraw/zinc/44/28/26/721442826.db2.gz KOIZVDUQCNIEJN-LIRRHRJNSA-N 0 0 488.944 4.545 20 5 JJBDRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CCO3)cs1 ZINC001164786331 721443527 /nfs/dbraw/zinc/44/35/27/721443527.db2.gz UREGMESYAKICBM-IFXJQAMLSA-N 0 0 488.944 4.545 20 5 JJBDRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C3)c1 ZINC001164798363 721600901 /nfs/dbraw/zinc/60/09/01/721600901.db2.gz FBVJKIWNQSRTPA-OXJNMPFZSA-N 0 0 452.889 4.715 20 5 JJBDRN COC(=O)CCN(C1CCCC1)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001165050345 721988737 /nfs/dbraw/zinc/98/87/37/721988737.db2.gz DHHQHUPEDIZESF-UHFFFAOYSA-N 0 0 454.861 4.562 20 5 JJBDRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]21 ZINC001164956779 722049266 /nfs/dbraw/zinc/04/92/66/722049266.db2.gz CPQBLBGXTNOPAX-DNVCBOLYSA-N 0 0 488.878 4.799 20 5 JJBDRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]2C1 ZINC001164970462 722086316 /nfs/dbraw/zinc/08/63/16/722086316.db2.gz FCAXWEXJOJFSBN-IAGOWNOFSA-N 0 0 490.938 4.986 20 5 JJBDRN O=C1CC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)c2ccccc2N1CC1CC1 ZINC001164974784 722160530 /nfs/dbraw/zinc/16/05/30/722160530.db2.gz QGNJUOSDWVMBBW-UHFFFAOYSA-N 0 0 476.911 4.873 20 5 JJBDRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)c2ccccc21 ZINC001164998577 722220486 /nfs/dbraw/zinc/22/04/86/722220486.db2.gz JRVITOLOWHDBJF-UHFFFAOYSA-N 0 0 488.922 4.650 20 5 JJBDRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164999982 722221298 /nfs/dbraw/zinc/22/12/98/722221298.db2.gz UTIMSUYRTGONIP-IBGZPJMESA-N 0 0 476.911 4.768 20 5 JJBDRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001359734168 1064292638 /nfs/dbraw/zinc/29/26/38/1064292638.db2.gz NSELCBIQZYOKPT-NRFANRHFSA-N 0 0 484.601 4.878 20 5 JJBDRN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(COC(C)(C)C)on1 ZINC001359734180 1064292715 /nfs/dbraw/zinc/29/27/15/1064292715.db2.gz NZDGFCIKMNGCSL-NRFANRHFSA-N 0 0 468.558 4.830 20 5 JJBDRN CC(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001359739553 1064307948 /nfs/dbraw/zinc/30/79/48/1064307948.db2.gz XBTHZWJNKSEHLE-UHFFFAOYSA-N 0 0 472.496 4.770 20 5 JJBDRN O=C(Nc1cccc(Cl)c1Oc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001434885249 1064316960 /nfs/dbraw/zinc/31/69/60/1064316960.db2.gz RMMQBTIYSAFUKA-UHFFFAOYSA-N 0 0 454.870 4.524 20 5 JJBDRN O=C(Oc1c(Br)cccc1Br)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001434907014 1064334121 /nfs/dbraw/zinc/33/41/21/1064334121.db2.gz YKTFFCQRDILMAJ-UHFFFAOYSA-N 0 0 456.090 4.913 20 5 JJBDRN Cc1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)CN1CCCCC1 ZINC001434915025 1064341885 /nfs/dbraw/zinc/34/18/85/1064341885.db2.gz HKROTNVWIFIHGY-UHFFFAOYSA-N 0 0 458.946 4.552 20 5 JJBDRN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001434919137 1064346507 /nfs/dbraw/zinc/34/65/07/1064346507.db2.gz IQNQUSXIFFGGAD-UHFFFAOYSA-N 0 0 453.292 4.889 20 5 JJBDRN CCCC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950964 1064372619 /nfs/dbraw/zinc/37/26/19/1064372619.db2.gz YTHAQGQZOTUWHX-JPYJTQIMSA-N 0 0 452.555 4.612 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001435007616 1064423535 /nfs/dbraw/zinc/42/35/35/1064423535.db2.gz CQVFMYUVVWAQHM-JOCHJYFZSA-N 0 0 457.958 4.676 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC001435010742 1064426044 /nfs/dbraw/zinc/42/60/44/1064426044.db2.gz LTIGPOLAXXFQDH-UHFFFAOYSA-N 0 0 453.705 4.710 20 5 JJBDRN CC(C)Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCc1nc(C(F)(F)F)cs1 ZINC001359783494 1064435013 /nfs/dbraw/zinc/43/50/13/1064435013.db2.gz ATBXPOOJRVECMI-UHFFFAOYSA-N 0 0 482.532 4.782 20 5 JJBDRN O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2Br)cc1)c1ccc(F)cc1 ZINC001435033507 1064450142 /nfs/dbraw/zinc/45/01/42/1064450142.db2.gz VGXPDYHNVBWEIX-UHFFFAOYSA-N 0 0 459.227 4.968 20 5 JJBDRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001435038149 1064453684 /nfs/dbraw/zinc/45/36/84/1064453684.db2.gz PQFRHCOGALPCCA-UHFFFAOYSA-N 0 0 455.348 4.667 20 5 JJBDRN CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048529 1064465566 /nfs/dbraw/zinc/46/55/66/1064465566.db2.gz DLKQKKGDECWBJL-VFNWGFHPSA-N 0 0 458.946 4.632 20 5 JJBDRN Cc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(I)cc1Cl ZINC001435054679 1064473023 /nfs/dbraw/zinc/47/30/23/1064473023.db2.gz MSXRLSQVKSWRHR-UHFFFAOYSA-N 0 0 456.667 4.754 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001435068692 1064490586 /nfs/dbraw/zinc/49/05/86/1064490586.db2.gz SIXPZBXDRHTZLJ-HXUWFJFHSA-N 0 0 455.312 4.707 20 5 JJBDRN Cc1c(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001435079098 1064501596 /nfs/dbraw/zinc/50/15/96/1064501596.db2.gz MXDICYMPFHTDQW-FQEVSTJZSA-N 0 0 453.539 4.945 20 5 JJBDRN CC(C)(C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001359819014 1064502946 /nfs/dbraw/zinc/50/29/46/1064502946.db2.gz QROVNBWEGMNAPU-UHFFFAOYSA-N 0 0 453.445 4.971 20 5 JJBDRN Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)nc2ccc(F)cc21 ZINC001435082498 1064504431 /nfs/dbraw/zinc/50/44/31/1064504431.db2.gz HPAZXFQZWRDLOY-UHFFFAOYSA-N 0 0 456.543 4.875 20 5 JJBDRN O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC001359832479 1064516015 /nfs/dbraw/zinc/51/60/15/1064516015.db2.gz YNOPACJPFMQTRE-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001359837912 1064524842 /nfs/dbraw/zinc/52/48/42/1064524842.db2.gz PYSIMZQEYREWMR-NYHFZMIOSA-N 0 0 453.967 4.771 20 5 JJBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC001435122312 1064528439 /nfs/dbraw/zinc/52/84/39/1064528439.db2.gz ZPFTYHMUUQMEDK-RZNTYIFUSA-N 0 0 450.878 4.840 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001435125994 1064531713 /nfs/dbraw/zinc/53/17/13/1064531713.db2.gz GOKWTWFPCCTGSV-UHFFFAOYSA-N 0 0 455.417 4.754 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H](c1cccnc1)C(C)C ZINC001359852315 1064539308 /nfs/dbraw/zinc/53/93/08/1064539308.db2.gz LCJVINDZPMZTLG-XMMPIXPASA-N 0 0 477.613 4.546 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359852097 1064539346 /nfs/dbraw/zinc/53/93/46/1064539346.db2.gz KCOCWGZVXQUNNZ-YKSBVNFPSA-N 0 0 484.645 4.553 20 5 JJBDRN CC(C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359878184 1064569736 /nfs/dbraw/zinc/56/97/36/1064569736.db2.gz HETOJMDMABVADT-SFHVURJKSA-N 0 0 472.590 4.641 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001435187743 1064576798 /nfs/dbraw/zinc/57/67/98/1064576798.db2.gz XVBMIOASJFTVCD-VLIAUNLRSA-N 0 0 450.520 4.706 20 5 JJBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001359883806 1064578273 /nfs/dbraw/zinc/57/82/73/1064578273.db2.gz RNJWCBRQSSKCOM-UHFFFAOYSA-N 0 0 458.721 4.700 20 5 JJBDRN COc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001435202994 1064589646 /nfs/dbraw/zinc/58/96/46/1064589646.db2.gz VFHYKLDOZCBGIV-QGZVFWFLSA-N 0 0 457.508 4.989 20 5 JJBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435203403 1064589663 /nfs/dbraw/zinc/58/96/63/1064589663.db2.gz RDMXLURSZLMIDE-NRFANRHFSA-N 0 0 459.524 4.966 20 5 JJBDRN CCOc1cc(CCCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1OC ZINC001435216189 1064596654 /nfs/dbraw/zinc/59/66/54/1064596654.db2.gz WDSBGFMWHBSGIP-UHFFFAOYSA-N 0 0 455.555 4.601 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cc(Br)c(F)cc1F ZINC001435220088 1064599742 /nfs/dbraw/zinc/59/97/42/1064599742.db2.gz JOANZKUZFYJTNJ-UHFFFAOYSA-N 0 0 451.017 4.755 20 5 JJBDRN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)Cc1cccc(Br)c1 ZINC001435220951 1064601299 /nfs/dbraw/zinc/60/12/99/1064601299.db2.gz IEZGPMWLQKGTFX-ZDUSSCGKSA-N 0 0 452.324 4.561 20 5 JJBDRN O=C(COC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC001359898196 1064601713 /nfs/dbraw/zinc/60/17/13/1064601713.db2.gz UBPYPASRJFNTBZ-NRFANRHFSA-N 0 0 458.829 4.689 20 5 JJBDRN CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@H](C)NC(=O)OC(C)(C)C ZINC001435222179 1064603207 /nfs/dbraw/zinc/60/32/07/1064603207.db2.gz SISONVHPRWDXKX-LRDDRELGSA-N 0 0 459.337 4.586 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cc(-c2cnc3[nH]ccc3c2)ccn1 ZINC001435223623 1064604508 /nfs/dbraw/zinc/60/45/08/1064604508.db2.gz YSLLIUGZLRHUJS-UHFFFAOYSA-N 0 0 453.252 4.604 20 5 JJBDRN CCOC(=O)C1(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCC1 ZINC001435229087 1064608568 /nfs/dbraw/zinc/60/85/68/1064608568.db2.gz BSFHKYIEEQIKPH-UHFFFAOYSA-N 0 0 450.850 4.529 20 5 JJBDRN CCC[C@@H](C)N(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nc(C)c(C(=O)OCC)s1 ZINC001435231324 1064610855 /nfs/dbraw/zinc/61/08/55/1064610855.db2.gz MFMUHKURYKDFPQ-GFCCVEGCSA-N 0 0 455.483 4.850 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1c(Cl)ccc(I)c1F ZINC001359904198 1064618686 /nfs/dbraw/zinc/61/86/86/1064618686.db2.gz QFOFMXBKTOBNER-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001435251500 1064628418 /nfs/dbraw/zinc/62/84/18/1064628418.db2.gz CMPOLNDHTVVEEL-AVRDEDQJSA-N 0 0 457.596 4.506 20 5 JJBDRN Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC001359916714 1064638203 /nfs/dbraw/zinc/63/82/03/1064638203.db2.gz GAMAKSRTQZAKMX-OAQYLSRUSA-N 0 0 453.539 4.945 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N(c1ccc(CNC(=O)OC(C)(C)C)cc1C)C1CC1 ZINC001435262500 1064639410 /nfs/dbraw/zinc/63/94/10/1064639410.db2.gz BMNNRWVJRXBCPW-UHFFFAOYSA-N 0 0 455.511 4.746 20 5 JJBDRN CCCCOCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(Br)cc1 ZINC001435268498 1064647452 /nfs/dbraw/zinc/64/74/52/1064647452.db2.gz SVLPQKWRBZHSGL-UHFFFAOYSA-N 0 0 451.317 4.829 20 5 JJBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(C(C)(C)C)cc1 ZINC001435270522 1064648567 /nfs/dbraw/zinc/64/85/67/1064648567.db2.gz OUFIUSNGRLTNKW-QGZVFWFLSA-N 0 0 450.438 4.528 20 5 JJBDRN CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001359922225 1064650393 /nfs/dbraw/zinc/65/03/93/1064650393.db2.gz NEOLRRNHKOLRSK-UHFFFAOYSA-N 0 0 453.882 4.829 20 5 JJBDRN O=C(c1cnn2cccc(Br)c12)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001435300915 1064676031 /nfs/dbraw/zinc/67/60/31/1064676031.db2.gz KRBHGQZSEPMTMB-UHFFFAOYSA-N 0 0 451.280 4.852 20 5 JJBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001435311075 1064684967 /nfs/dbraw/zinc/68/49/67/1064684967.db2.gz WNMBBZIDZWNGHF-HNNXBMFYSA-N 0 0 456.955 4.891 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccccc1)CC1CCC1 ZINC001359946008 1064693531 /nfs/dbraw/zinc/69/35/31/1064693531.db2.gz MRMYESUHYXISOI-UHFFFAOYSA-N 0 0 450.276 4.642 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001435331505 1064703058 /nfs/dbraw/zinc/70/30/58/1064703058.db2.gz YJOWOMUAPYPBOE-QFIPXVFZSA-N 0 0 454.866 4.547 20 5 JJBDRN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)[C@@H]2c2cccs2)cc1 ZINC001435384335 1064732921 /nfs/dbraw/zinc/73/29/21/1064732921.db2.gz HGHDWSRILNOELW-VGOFRKELSA-N 0 0 450.520 4.791 20 5 JJBDRN CCOc1cccc([C@@H](CC)OC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC001435394576 1064737687 /nfs/dbraw/zinc/73/76/87/1064737687.db2.gz SKGXADVXVIWDEF-QGZVFWFLSA-N 0 0 455.248 4.906 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4cc(Cl)cc(Cl)c4C3)cc2)c(C)c1[N+](=O)[O-] ZINC001435440753 1064758718 /nfs/dbraw/zinc/75/87/18/1064758718.db2.gz JMRPNTSLGSMQDK-UHFFFAOYSA-N 0 0 459.333 4.962 20 5 JJBDRN CCCOc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC(F)F)c1 ZINC001435453157 1064765154 /nfs/dbraw/zinc/76/51/54/1064765154.db2.gz AJLSMMDYRBHSDP-UHFFFAOYSA-N 0 0 459.243 4.678 20 5 JJBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC001435454552 1064766458 /nfs/dbraw/zinc/76/64/58/1064766458.db2.gz HMFGVLFQEWGHBJ-SFHVURJKSA-N 0 0 459.289 4.693 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC001435454574 1064766546 /nfs/dbraw/zinc/76/65/46/1064766546.db2.gz HPBAATOZGLHMNV-SFHVURJKSA-N 0 0 454.458 4.529 20 5 JJBDRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001435510177 1064796540 /nfs/dbraw/zinc/79/65/40/1064796540.db2.gz RPDARGVFYUVEQW-AGUYFDCRSA-N 0 0 457.449 4.664 20 5 JJBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001435523043 1064805622 /nfs/dbraw/zinc/80/56/22/1064805622.db2.gz BMWYPRKYGXVFLY-ZDUSSCGKSA-N 0 0 456.134 4.871 20 5 JJBDRN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001435523118 1064805760 /nfs/dbraw/zinc/80/57/60/1064805760.db2.gz OIXHGCOTNXNCQM-UHFFFAOYSA-N 0 0 458.440 4.878 20 5 JJBDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001435528367 1064809646 /nfs/dbraw/zinc/80/96/46/1064809646.db2.gz YCOJETZMHBLAHB-GFCCVEGCSA-N 0 0 456.134 4.871 20 5 JJBDRN Cc1cccn2cc(COc3ccc(C(=O)NCc4cc([N+](=O)[O-])ccc4Cl)cc3)nc12 ZINC001435546407 1064821371 /nfs/dbraw/zinc/82/13/71/1064821371.db2.gz QYFFLBYBLGHNBX-UHFFFAOYSA-N 0 0 450.882 4.713 20 5 JJBDRN C[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001435562560 1064834493 /nfs/dbraw/zinc/83/44/93/1064834493.db2.gz RCCBDUQMEFQWAW-INIZCTEOSA-N 0 0 451.539 4.914 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCc2cccc(OCc3ccccc3)c2)cc1SC ZINC001435565150 1064836926 /nfs/dbraw/zinc/83/69/26/1064836926.db2.gz VRFGSJLXFGXEET-UHFFFAOYSA-N 0 0 452.532 4.877 20 5 JJBDRN Cc1cc(OCC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)ccc1[N+](=O)[O-] ZINC001435588030 1064852927 /nfs/dbraw/zinc/85/29/27/1064852927.db2.gz VEICRNPMOYAFHB-SFHVURJKSA-N 0 0 456.543 4.584 20 5 JJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)c1 ZINC001435602546 1064866644 /nfs/dbraw/zinc/86/66/44/1064866644.db2.gz PDDBKTSQMXROQX-AWEZNQCLSA-N 0 0 459.474 4.529 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NCCOc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001435603677 1064867216 /nfs/dbraw/zinc/86/72/16/1064867216.db2.gz UJZHYHTVXVABDT-UHFFFAOYSA-N 0 0 457.474 4.956 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC001435616424 1064878379 /nfs/dbraw/zinc/87/83/79/1064878379.db2.gz CLFOBUKXUQCZMG-UYAOXDASSA-N 0 0 456.543 4.764 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC001360053651 1064881984 /nfs/dbraw/zinc/88/19/84/1064881984.db2.gz FLNUOITUQLQOEP-UHFFFAOYSA-N 0 0 450.944 4.677 20 5 JJBDRN O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001435624538 1064885596 /nfs/dbraw/zinc/88/55/96/1064885596.db2.gz AOLMCHRFSNAZHZ-UHFFFAOYSA-N 0 0 454.118 4.925 20 5 JJBDRN O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001435645530 1064904440 /nfs/dbraw/zinc/90/44/40/1064904440.db2.gz BRGZTQLOCPYPJP-CQSZACIVSA-N 0 0 455.392 4.671 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)cnc1Br ZINC001435657482 1064912927 /nfs/dbraw/zinc/91/29/27/1064912927.db2.gz DTPLDCZGTMNZGZ-CYBMUJFWSA-N 0 0 456.300 4.881 20 5 JJBDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1 ZINC001435660500 1064914920 /nfs/dbraw/zinc/91/49/20/1064914920.db2.gz LUAKVJRUZPNLOD-FQEVSTJZSA-N 0 0 457.328 4.650 20 5 JJBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCc2c(Br)cccc21 ZINC001435668650 1064921841 /nfs/dbraw/zinc/92/18/41/1064921841.db2.gz IJTIKCYAWMSYHG-UHFFFAOYSA-N 0 0 458.356 4.943 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435671896 1064925056 /nfs/dbraw/zinc/92/50/56/1064925056.db2.gz CXBTXSDONQAZLG-UHFFFAOYSA-N 0 0 452.370 4.922 20 5 JJBDRN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC001435684165 1064932185 /nfs/dbraw/zinc/93/21/85/1064932185.db2.gz FHGARJGQNHVIJB-HXUWFJFHSA-N 0 0 451.401 4.601 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn(-c2ccc(Br)cc2)cn1 ZINC001435684326 1064932732 /nfs/dbraw/zinc/93/27/32/1064932732.db2.gz HTQUUQYGAHPSCC-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN COc1ccccc1-c1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001435691174 1064937176 /nfs/dbraw/zinc/93/71/76/1064937176.db2.gz LCGNHEGPKKMNLH-HSZRJFAPSA-N 0 0 457.442 4.712 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001435751418 1064975355 /nfs/dbraw/zinc/97/53/55/1064975355.db2.gz ONZPJHJKRIWYNL-UHFFFAOYSA-N 0 0 455.414 4.805 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1ccccc1OCc1ccccc1 ZINC001435762471 1064981150 /nfs/dbraw/zinc/98/11/50/1064981150.db2.gz JYBPJKUYJVZLNJ-IBGZPJMESA-N 0 0 456.502 4.910 20 5 JJBDRN COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccccn1 ZINC001435769449 1064984071 /nfs/dbraw/zinc/98/40/71/1064984071.db2.gz WUGZRDRJEINUCO-FQEVSTJZSA-N 0 0 456.296 4.589 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)cc1[N+](=O)[O-] ZINC001435771909 1064985920 /nfs/dbraw/zinc/98/59/20/1064985920.db2.gz HFRIEINNENSCTJ-UHFFFAOYSA-N 0 0 452.268 4.856 20 5 JJBDRN CC(C)c1ccc(CCCNC(=O)c2ccc(I)c([N+](=O)[O-])c2)cc1 ZINC001360105498 1064987221 /nfs/dbraw/zinc/98/72/21/1064987221.db2.gz GASFPGSLRSZMCJ-UHFFFAOYSA-N 0 0 452.292 4.685 20 5 JJBDRN CCOc1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC001435801086 1064998161 /nfs/dbraw/zinc/99/81/61/1064998161.db2.gz QHTNHDRHOAYJGD-LJQANCHMSA-N 0 0 455.898 4.764 20 5 JJBDRN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC001435818093 1065007955 /nfs/dbraw/zinc/00/79/55/1065007955.db2.gz DJMHCTHAZSRBDM-GOSISDBHSA-N 0 0 453.520 4.616 20 5 JJBDRN COC(=O)c1ccc(OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] ZINC001435828670 1065012398 /nfs/dbraw/zinc/01/23/98/1065012398.db2.gz YQUXGJPODYXQSQ-UHFFFAOYSA-N 0 0 450.472 4.980 20 5 JJBDRN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435835144 1065015500 /nfs/dbraw/zinc/01/55/00/1065015500.db2.gz BJSGPCNHIDFXRQ-HYBUGGRVSA-N 0 0 450.466 4.963 20 5 JJBDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC001435840501 1065018459 /nfs/dbraw/zinc/01/84/59/1065018459.db2.gz HLIVWMLIZYEARJ-KSZLIROESA-N 0 0 453.539 4.681 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC001360130619 1065026258 /nfs/dbraw/zinc/02/62/58/1065026258.db2.gz CPHLECXNMXOTJG-IBGZPJMESA-N 0 0 451.539 4.601 20 5 JJBDRN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC001435871384 1065036800 /nfs/dbraw/zinc/03/68/00/1065036800.db2.gz NROIWJWYOJECMJ-UHFFFAOYSA-N 0 0 457.508 4.965 20 5 JJBDRN C[C@H](CN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001435890006 1065046992 /nfs/dbraw/zinc/04/69/92/1065046992.db2.gz QVZLDBOYVHKRFL-GFCCVEGCSA-N 0 0 456.282 4.668 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cccc(C(F)(F)F)c1F ZINC001435896799 1065050400 /nfs/dbraw/zinc/05/04/00/1065050400.db2.gz MSVBTHIEHCHFTH-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(Cl)nc2ccccc21 ZINC001435896495 1065050615 /nfs/dbraw/zinc/05/06/15/1065050615.db2.gz YZEQBWXXVDWNFB-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cccc(-c2cscn2)c1 ZINC001435897167 1065050912 /nfs/dbraw/zinc/05/09/12/1065050912.db2.gz OGSYQGZRAQRFTN-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN O=C(COc1cccc(Br)c1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC001435924806 1065066233 /nfs/dbraw/zinc/06/62/33/1065066233.db2.gz NFMKKBHNJDDOJE-UHFFFAOYSA-N 0 0 457.280 4.954 20 5 JJBDRN Cc1c(CC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC001435962837 1065084027 /nfs/dbraw/zinc/08/40/27/1065084027.db2.gz YZNCHFKOKMNLIA-FQEVSTJZSA-N 0 0 454.324 4.703 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3nc4cc(Cl)ccc4n3C)cc2[N+](=O)[O-])C1 ZINC001435972303 1065087349 /nfs/dbraw/zinc/08/73/49/1065087349.db2.gz FRMKOPCYKKIIKU-GJZGRUSLSA-N 0 0 455.946 4.547 20 5 JJBDRN O=C(N[C@@H](CC1CCCCC1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001360233824 1065093929 /nfs/dbraw/zinc/09/39/29/1065093929.db2.gz RZKCSFAYXKJQKH-KNQAVFIVSA-N 0 0 453.514 4.915 20 5 JJBDRN CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001435987714 1065094663 /nfs/dbraw/zinc/09/46/63/1065094663.db2.gz XUUDRUAPDRKIHC-UHFFFAOYSA-N 0 0 450.276 4.700 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC(C)(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001360247449 1065097702 /nfs/dbraw/zinc/09/77/02/1065097702.db2.gz YVNXLHPINDWGQP-RUZDIDTESA-N 0 0 455.555 4.720 20 5 JJBDRN COc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1OCc1ccccc1F ZINC001436016357 1065114369 /nfs/dbraw/zinc/11/43/69/1065114369.db2.gz CIBLSYIIHNSTOW-UHFFFAOYSA-N 0 0 454.454 4.602 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001360280018 1065121554 /nfs/dbraw/zinc/12/15/54/1065121554.db2.gz JRXJFMQZLTVIFP-SFHVURJKSA-N 0 0 452.985 4.807 20 5 JJBDRN CC[C@H](C)c1ncc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC001436031101 1065127260 /nfs/dbraw/zinc/12/72/60/1065127260.db2.gz MABYYEJTYVFVEW-ZDUSSCGKSA-N 0 0 451.449 4.772 20 5 JJBDRN COCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1SC)c1ccc(Br)cn1 ZINC001436031861 1065128036 /nfs/dbraw/zinc/12/80/36/1065128036.db2.gz HCJWOGWVJXMHFS-UHFFFAOYSA-N 0 0 454.346 4.548 20 5 JJBDRN CCC(CC)(NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)OC ZINC001436045290 1065139810 /nfs/dbraw/zinc/13/98/10/1065139810.db2.gz IHFJMWRLFXMGRM-UHFFFAOYSA-N 0 0 459.549 4.817 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Cc2c(cc(C)cc2F)N1C(=O)OC(C)(C)C ZINC001436056583 1065149323 /nfs/dbraw/zinc/14/93/23/1065149323.db2.gz DLORHYFYQAPUGZ-IBGZPJMESA-N 0 0 459.474 4.746 20 5 JJBDRN CC(C)[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccccc2C1=O ZINC001360316934 1065149885 /nfs/dbraw/zinc/14/98/85/1065149885.db2.gz BMJNVOXZLGEYDM-QFIPXVFZSA-N 0 0 459.458 4.646 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)ns1 ZINC001360324176 1065162814 /nfs/dbraw/zinc/16/28/14/1065162814.db2.gz OQQAIYGHARWQBT-UHFFFAOYSA-N 0 0 455.393 4.712 20 5 JJBDRN Cn1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436073965 1065163078 /nfs/dbraw/zinc/16/30/78/1065163078.db2.gz OPOKCXOLQWWZCE-UHFFFAOYSA-N 0 0 453.655 4.803 20 5 JJBDRN Cc1cc([C@@H]2CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Br ZINC001436078307 1065166003 /nfs/dbraw/zinc/16/60/03/1065166003.db2.gz OYNSGPUXDIFFSJ-FQEVSTJZSA-N 0 0 455.312 4.829 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001436083119 1065168861 /nfs/dbraw/zinc/16/88/61/1065168861.db2.gz YUHYWZOJUSWAJW-LJQANCHMSA-N 0 0 455.580 4.858 20 5 JJBDRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC001360327651 1065169863 /nfs/dbraw/zinc/16/98/63/1065169863.db2.gz NKOQWEQZPMCDMK-FQEVSTJZSA-N 0 0 454.546 4.677 20 5 JJBDRN Cc1c(NC(=O)c2c(F)cc(Br)cc2F)cc(Br)cc1[N+](=O)[O-] ZINC001436098954 1065179275 /nfs/dbraw/zinc/17/92/75/1065179275.db2.gz CVCKTKNXTADMBI-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN Cc1c(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cc(Br)cc1[N+](=O)[O-] ZINC001436102002 1065180688 /nfs/dbraw/zinc/18/06/88/1065180688.db2.gz OCVJPYLPBRZSIM-UHFFFAOYSA-N 0 0 458.099 4.801 20 5 JJBDRN CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)C ZINC001436105956 1065182963 /nfs/dbraw/zinc/18/29/63/1065182963.db2.gz OCHCMCFIDHSIIK-XMMPIXPASA-N 0 0 453.583 4.845 20 5 JJBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC001436115469 1065189530 /nfs/dbraw/zinc/18/95/30/1065189530.db2.gz DXMKCRXWANIOEM-JOCHJYFZSA-N 0 0 455.898 4.567 20 5 JJBDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])C2)n1 ZINC001436121276 1065195013 /nfs/dbraw/zinc/19/50/13/1065195013.db2.gz OZHOYQGJOYXOOJ-HNNXBMFYSA-N 0 0 453.520 4.755 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC001436140430 1065210413 /nfs/dbraw/zinc/21/04/13/1065210413.db2.gz GFBYGXHCFFICKL-UHFFFAOYSA-N 0 0 456.886 4.905 20 5 JJBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001360359370 1065211516 /nfs/dbraw/zinc/21/15/16/1065211516.db2.gz DFJVLVIKKNTIBB-UHFFFAOYSA-N 0 0 450.442 4.954 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCN(c4ccccc4F)CC3)cc2[N+](=O)[O-])C1 ZINC001436164567 1065224402 /nfs/dbraw/zinc/22/44/02/1065224402.db2.gz GHUOWPVGHMQZOF-KDURUIRLSA-N 0 0 454.546 4.569 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCN(c4ccccc4F)CC3)cc2[N+](=O)[O-])C1 ZINC001436164570 1065224531 /nfs/dbraw/zinc/22/45/31/1065224531.db2.gz GHUOWPVGHMQZOF-OALUTQOASA-N 0 0 454.546 4.569 20 5 JJBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1Br)c1ncc2c(n1)-c1ccccc1SC2 ZINC001436172655 1065228576 /nfs/dbraw/zinc/22/85/76/1065228576.db2.gz MCZWPPMMWGMALR-UHFFFAOYSA-N 0 0 457.309 4.697 20 5 JJBDRN O=C(Nc1nc2c(cccc2Br)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001436172281 1065228590 /nfs/dbraw/zinc/22/85/90/1065228590.db2.gz CXMAPKDJBCDYEN-UHFFFAOYSA-N 0 0 457.103 4.982 20 5 JJBDRN CC(C)OC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC001360370147 1065229468 /nfs/dbraw/zinc/22/94/68/1065229468.db2.gz FKRRDACRSCFWKV-HBFSDRIKSA-N 0 0 497.518 4.777 20 5 JJBDRN COCCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001436197920 1065245218 /nfs/dbraw/zinc/24/52/18/1065245218.db2.gz PCIACPDSGCTCBG-AWEZNQCLSA-N 0 0 455.736 4.951 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC001436202933 1065248846 /nfs/dbraw/zinc/24/88/46/1065248846.db2.gz DLFFYJSCFCYOFK-JOCHJYFZSA-N 0 0 450.507 4.925 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC001436209311 1065252456 /nfs/dbraw/zinc/25/24/56/1065252456.db2.gz AAMSOHCPMSUDPC-UHFFFAOYSA-N 0 0 458.536 4.501 20 5 JJBDRN CCOc1cc(C(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC001436227666 1065266290 /nfs/dbraw/zinc/26/62/90/1065266290.db2.gz FPOYIOBIJFIAHO-INIZCTEOSA-N 0 0 457.310 4.817 20 5 JJBDRN Cc1ccccc1[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001360405049 1065268214 /nfs/dbraw/zinc/26/82/14/1065268214.db2.gz GPUFBHPUBVVHHN-MGPUTAFESA-N 0 0 451.445 4.713 20 5 JJBDRN COc1cc(C(=O)Nc2ccnn2-c2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001360408345 1065271535 /nfs/dbraw/zinc/27/15/35/1065271535.db2.gz LEDKGONAFGKXDO-UHFFFAOYSA-N 0 0 458.474 4.929 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2ccccn2)c1 ZINC001436240050 1065272027 /nfs/dbraw/zinc/27/20/27/1065272027.db2.gz KRGVDBNRZJNLAO-UHFFFAOYSA-N 0 0 452.488 4.669 20 5 JJBDRN CC(C)SCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001360416574 1065279073 /nfs/dbraw/zinc/27/90/73/1065279073.db2.gz DPUFOUYNIOANKF-GOSISDBHSA-N 0 0 485.614 4.885 20 5 JJBDRN CCN(C)C(=O)c1cccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001360419030 1065283833 /nfs/dbraw/zinc/28/38/33/1065283833.db2.gz NEKXAYQKUZCHRO-UHFFFAOYSA-N 0 0 457.533 4.822 20 5 JJBDRN CCN(C)C(=O)c1cccc(OC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC001360419532 1065284569 /nfs/dbraw/zinc/28/45/69/1065284569.db2.gz XFPCZQNZKAITFQ-UHFFFAOYSA-N 0 0 450.447 4.707 20 5 JJBDRN CC(C)[C@@H]1C[C@H]1n1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001360427474 1065298110 /nfs/dbraw/zinc/29/81/10/1065298110.db2.gz IEBMLZXDBYSCFN-YOUFYPILSA-N 0 0 484.601 4.810 20 5 JJBDRN O=C(O[C@@H]1CCCc2c(F)cc(F)cc21)c1cc([N+](=O)[O-])ccc1I ZINC001436405607 1065311204 /nfs/dbraw/zinc/31/12/04/1065311204.db2.gz LDIRWHCOPLFHCY-MRXNPFEDSA-N 0 0 459.186 4.712 20 5 JJBDRN O=C(Nc1csnc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1I ZINC001360450953 1065343210 /nfs/dbraw/zinc/34/32/10/1065343210.db2.gz DVPYFMIQRMVPKP-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN O=C(Nc1csnc1-c1ccccc1)c1cc([N+](=O)[O-])ccc1I ZINC001360451553 1065344293 /nfs/dbraw/zinc/34/42/93/1065344293.db2.gz PYJHQRYKZQOAJJ-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)CC(F)(F)F ZINC001360454124 1065349946 /nfs/dbraw/zinc/34/99/46/1065349946.db2.gz DFJDQRIOAFBMMN-HNNXBMFYSA-N 0 0 466.464 4.528 20 5 JJBDRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)CC(F)(F)F ZINC001360454125 1065349963 /nfs/dbraw/zinc/34/99/63/1065349963.db2.gz DFJDQRIOAFBMMN-OAHLLOKOSA-N 0 0 466.464 4.528 20 5 JJBDRN COc1cc(OC)cc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC001436540262 1065351240 /nfs/dbraw/zinc/35/12/40/1065351240.db2.gz RARMBLRDMPDDBL-ZDUSSCGKSA-N 0 0 457.870 4.733 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCC3CCOCC3)cc2)CC1 ZINC001360455371 1065354824 /nfs/dbraw/zinc/35/48/24/1065354824.db2.gz JBKGVVVJTQLFNH-UHFFFAOYSA-N 0 0 453.539 4.889 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)n1 ZINC001436555980 1065359868 /nfs/dbraw/zinc/35/98/68/1065359868.db2.gz KCTGWRQFKCWVKO-SFHVURJKSA-N 0 0 456.499 4.677 20 5 JJBDRN COc1cc(C(=O)Nc2nccn2Cc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001436571191 1065371913 /nfs/dbraw/zinc/37/19/13/1065371913.db2.gz RHWHAQUKNNDZSZ-UHFFFAOYSA-N 0 0 458.474 4.680 20 5 JJBDRN CCN(C)C(=O)CSc1ccc([C@@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC001436574303 1065374526 /nfs/dbraw/zinc/37/45/26/1065374526.db2.gz JOVXUSDQJMRYIH-OAHLLOKOSA-N 0 0 457.552 4.658 20 5 JJBDRN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001436579764 1065378845 /nfs/dbraw/zinc/37/88/45/1065378845.db2.gz YIRJHSMCPRHOQI-LBPRGKRZSA-N 0 0 458.342 4.870 20 5 JJBDRN CC1(C)CCCc2sc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)nc21 ZINC001436584253 1065382384 /nfs/dbraw/zinc/38/23/84/1065382384.db2.gz OGSCJYJHEMPQMT-UHFFFAOYSA-N 0 0 457.293 4.522 20 5 JJBDRN CCCCCN=c1c(Br)cccn1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001360472404 1065392198 /nfs/dbraw/zinc/39/21/98/1065392198.db2.gz ASBIRWNYVKCQEV-UHFFFAOYSA-N 0 0 450.333 4.725 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC001360473512 1065392885 /nfs/dbraw/zinc/39/28/85/1065392885.db2.gz UIIKHTZUFHDMQV-UHFFFAOYSA-N 0 0 458.927 4.769 20 5 JJBDRN CCc1cccc(N(C)C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1 ZINC001436613736 1065398386 /nfs/dbraw/zinc/39/83/86/1065398386.db2.gz RITFNMODVBABSB-UHFFFAOYSA-N 0 0 454.504 4.510 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1Cl ZINC001436622091 1065401401 /nfs/dbraw/zinc/40/14/01/1065401401.db2.gz JIEAKVZUEZKYOD-FQEVSTJZSA-N 0 0 459.930 4.991 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(CSc2ccc(F)cc2)cc1 ZINC001436685825 1065422502 /nfs/dbraw/zinc/42/25/02/1065422502.db2.gz HFTXHSPINVFTKC-UHFFFAOYSA-N 0 0 453.495 4.785 20 5 JJBDRN CCCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC001360502411 1065428178 /nfs/dbraw/zinc/42/81/78/1065428178.db2.gz SKIGNHQUBWZKDZ-XMMPIXPASA-N 0 0 453.470 4.545 20 5 JJBDRN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC001436725597 1065430151 /nfs/dbraw/zinc/43/01/51/1065430151.db2.gz HBULFXLZNZZNNL-UHFFFAOYSA-N 0 0 453.486 4.845 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001436738756 1065433831 /nfs/dbraw/zinc/43/38/31/1065433831.db2.gz KARJEPFIZMNDDC-UCNVEGJOSA-N 0 0 455.942 4.614 20 5 JJBDRN COc1ccc(Br)cc1C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436779518 1065439781 /nfs/dbraw/zinc/43/97/81/1065439781.db2.gz SHPGBIHZGHDHGI-CQSZACIVSA-N 0 0 451.170 4.538 20 5 JJBDRN O=C(Cc1ccc(Br)c(F)c1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436781208 1065439867 /nfs/dbraw/zinc/43/98/67/1065439867.db2.gz VQXQGMNNKKZMLN-OAHLLOKOSA-N 0 0 453.161 4.598 20 5 JJBDRN O=C(Cc1ccc(F)c(Br)c1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436782443 1065440900 /nfs/dbraw/zinc/44/09/00/1065440900.db2.gz ZEYRXFABBRPSGJ-HNNXBMFYSA-N 0 0 453.161 4.598 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001360506107 1065443228 /nfs/dbraw/zinc/44/32/28/1065443228.db2.gz BIAQBLQRARTUCS-RTWAWAEBSA-N 0 0 453.539 4.863 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Oc1cccc(F)c1 ZINC001436845504 1065451534 /nfs/dbraw/zinc/45/15/34/1065451534.db2.gz IVOFKAZDHSFMQL-UHFFFAOYSA-N 0 0 457.845 4.938 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001436875010 1065460894 /nfs/dbraw/zinc/46/08/94/1065460894.db2.gz JAEUGLCEJKUMFX-MRXNPFEDSA-N 0 0 459.930 4.663 20 5 JJBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(F)(F)CC1 ZINC001360514370 1065466038 /nfs/dbraw/zinc/46/60/38/1065466038.db2.gz SAWQUHRDUKTIEW-MRXNPFEDSA-N 0 0 494.543 4.592 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001436959205 1065480938 /nfs/dbraw/zinc/48/09/38/1065480938.db2.gz LQNQPQHXKOKZFM-WYADAEROSA-N 0 0 459.587 4.660 20 5 JJBDRN O=C(Nc1ccccc1)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001360518716 1065482771 /nfs/dbraw/zinc/48/27/71/1065482771.db2.gz QGMZNTPGGMXCBA-UHFFFAOYSA-N 0 0 455.264 4.967 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001437020371 1065496993 /nfs/dbraw/zinc/49/69/93/1065496993.db2.gz XHXPPADQODGJTR-CBGDNZLLSA-N 0 0 468.554 4.888 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001437020372 1065497042 /nfs/dbraw/zinc/49/70/42/1065497042.db2.gz XHXPPADQODGJTR-LLGFUMIMSA-N 0 0 468.554 4.888 20 5 JJBDRN Cc1noc(C)c1-c1nc(C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)s1 ZINC001360522570 1065497461 /nfs/dbraw/zinc/49/74/61/1065497461.db2.gz HUVUPAARYZKYPQ-UHFFFAOYSA-N 0 0 452.286 4.751 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001437068583 1065505609 /nfs/dbraw/zinc/50/56/09/1065505609.db2.gz HPUMJLKVOMHHEF-JKSUJKDBSA-N 0 0 454.552 4.666 20 5 JJBDRN COc1ccc(CSCC(=O)Nc2c(Cl)cc(NC(C)=O)cc2Cl)cc1[N+](=O)[O-] ZINC001437174852 1065516764 /nfs/dbraw/zinc/51/67/64/1065516764.db2.gz WXBWZWBBDDULEQ-UHFFFAOYSA-N 0 0 458.323 4.741 20 5 JJBDRN C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1nccs1 ZINC001360536810 1065520091 /nfs/dbraw/zinc/52/00/91/1065520091.db2.gz RJOIGQUDVRSKLQ-APWZRJJASA-N 0 0 470.599 4.897 20 5 JJBDRN CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC001437223207 1065521784 /nfs/dbraw/zinc/52/17/84/1065521784.db2.gz KSTMKJFBXHTMED-INIZCTEOSA-N 0 0 456.495 4.992 20 5 JJBDRN CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC001437223210 1065521942 /nfs/dbraw/zinc/52/19/42/1065521942.db2.gz KSTMKJFBXHTMED-MRXNPFEDSA-N 0 0 456.495 4.992 20 5 JJBDRN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nccc(-c2sccc2Br)n1 ZINC001437305110 1065534860 /nfs/dbraw/zinc/53/48/60/1065534860.db2.gz QMJKWJXERMEWOQ-UHFFFAOYSA-N 0 0 453.705 4.806 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N3CCc4ccc(Cl)c(Cl)c4C3)cc2)c(C)c1[N+](=O)[O-] ZINC001437449455 1065553384 /nfs/dbraw/zinc/55/33/84/1065553384.db2.gz ZOAZSWBUYZSXJV-UHFFFAOYSA-N 0 0 459.333 4.962 20 5 JJBDRN Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 ZINC001360566228 1065556686 /nfs/dbraw/zinc/55/66/86/1065556686.db2.gz FWBDRYLHXNQLGS-VWLOTQADSA-N 0 0 457.530 4.800 20 5 JJBDRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001437513813 1065566006 /nfs/dbraw/zinc/56/60/06/1065566006.db2.gz ZOONWLOPEYVRPY-MGPUTAFESA-N 0 0 459.340 4.768 20 5 JJBDRN Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001437579145 1065580634 /nfs/dbraw/zinc/58/06/34/1065580634.db2.gz CFIMWLZFGCWTFZ-QGZVFWFLSA-N 0 0 450.276 4.794 20 5 JJBDRN O=C(Nc1ccc2c(c1)CCNC2=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001437581424 1065581347 /nfs/dbraw/zinc/58/13/47/1065581347.db2.gz QPCJPTCBSWFVCU-UHFFFAOYSA-N 0 0 453.907 4.938 20 5 JJBDRN O=C(N[C@@H]1COc2cc(F)ccc2C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001437837884 1065617439 /nfs/dbraw/zinc/61/74/39/1065617439.db2.gz GYRMNMBFTYUXJD-SFHVURJKSA-N 0 0 455.873 4.733 20 5 JJBDRN CCOc1cc(C(=O)N[C@H](CC)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC001437953944 1065635275 /nfs/dbraw/zinc/63/52/75/1065635275.db2.gz XFIVQSCFQITLMP-OAHLLOKOSA-N 0 0 451.317 4.516 20 5 JJBDRN CC(F)(F)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001360627951 1065674741 /nfs/dbraw/zinc/67/47/41/1065674741.db2.gz RKZLMFFCKPBMPI-UHFFFAOYSA-N 0 0 465.892 4.590 20 5 JJBDRN C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 ZINC001438164868 1065684113 /nfs/dbraw/zinc/68/41/13/1065684113.db2.gz NAVPECWLWGEUTM-LLVKDONJSA-N 0 0 453.442 4.814 20 5 JJBDRN 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Cc1cc([C@@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(Cc2ccco2)C(C)C)c(C)o1 ZINC001360997207 1066175647 /nfs/dbraw/zinc/17/56/47/1066175647.db2.gz CJWBIQFJNXAIGS-VWLOTQADSA-N 0 0 479.537 4.979 20 5 JJBDRN CC(C)(C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001454243512 1066257699 /nfs/dbraw/zinc/25/76/99/1066257699.db2.gz WVHYMXMPBWUHRX-UHFFFAOYSA-N 0 0 450.514 4.808 20 5 JJBDRN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001454442154 1066282996 /nfs/dbraw/zinc/28/29/96/1066282996.db2.gz SXAUQAFLDBGQBN-UHFFFAOYSA-N 0 0 458.833 4.838 20 5 JJBDRN CCC(CC)(CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001361054466 1066290132 /nfs/dbraw/zinc/29/01/32/1066290132.db2.gz RJBWNILBGUFLNU-UHFFFAOYSA-N 0 0 452.292 4.687 20 5 JJBDRN O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC001443306543 1066292925 /nfs/dbraw/zinc/29/29/25/1066292925.db2.gz XUNAXGZLVWWQMA-UHFFFAOYSA-N 0 0 452.417 4.716 20 5 JJBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC001454547198 1066299043 /nfs/dbraw/zinc/29/90/43/1066299043.db2.gz AWZUUFIFFZWDGC-GOSISDBHSA-N 0 0 457.914 4.658 20 5 JJBDRN COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001361065039 1066304753 /nfs/dbraw/zinc/30/47/53/1066304753.db2.gz BYNUNLIRWOLGFY-OAQYLSRUSA-N 0 0 455.854 4.993 20 5 JJBDRN COc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CCN2)cc1 ZINC001454585874 1066305095 /nfs/dbraw/zinc/30/50/95/1066305095.db2.gz NEHSDQZVVSQTEW-JOCHJYFZSA-N 0 0 455.580 4.672 20 5 JJBDRN Cc1cc(Cn2c(CC(C)C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC001361078605 1066318207 /nfs/dbraw/zinc/31/82/07/1066318207.db2.gz VYUKEJHOIQGTIG-UHFFFAOYSA-N 0 0 455.584 4.851 20 5 JJBDRN Cc1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC001443585828 1066333066 /nfs/dbraw/zinc/33/30/66/1066333066.db2.gz PDBZPUYKJOTKOC-IBGZPJMESA-N 0 0 456.543 4.605 20 5 JJBDRN CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1)OC ZINC001545960339 1066333212 /nfs/dbraw/zinc/33/32/12/1066333212.db2.gz BFBDALUUZILGTM-IRXDYDNUSA-N 0 0 477.974 4.571 20 5 JJBDRN COC(=O)[C@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C)cc1 ZINC001443682837 1066349494 /nfs/dbraw/zinc/34/94/94/1066349494.db2.gz CLDNDLJMKOZVHJ-JOCHJYFZSA-N 0 0 450.516 4.741 20 5 JJBDRN COC(=O)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC001443692895 1066351021 /nfs/dbraw/zinc/35/10/21/1066351021.db2.gz UURNPCCZZXIIEC-IBGZPJMESA-N 0 0 450.516 4.741 20 5 JJBDRN Cc1ccc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)cc1C(=O)c1ccccc1 ZINC001455003562 1066351296 /nfs/dbraw/zinc/35/12/96/1066351296.db2.gz JYWWETLMKMQRJU-UHFFFAOYSA-N 0 0 454.280 4.731 20 5 JJBDRN CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001455030910 1066354568 /nfs/dbraw/zinc/35/45/68/1066354568.db2.gz WWYGUCPZSSVWGR-NRFANRHFSA-N 0 0 459.930 4.878 20 5 JJBDRN CCOC(=O)c1sc(C2CCN(C(=O)[C@H](CC)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1C ZINC001455057564 1066356114 /nfs/dbraw/zinc/35/61/14/1066356114.db2.gz WNRFHERHHJKBRP-QGZVFWFLSA-N 0 0 459.568 4.511 20 5 JJBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(Sc2ccccc2Cl)nn1 ZINC001455303998 1066382116 /nfs/dbraw/zinc/38/21/16/1066382116.db2.gz OHDBRFQKNHKFHL-UHFFFAOYSA-N 0 0 452.883 4.832 20 5 JJBDRN COc1ccc(C(=O)NCC(=O)Nc2cccc(CSC3CCCCC3)c2)cc1[N+](=O)[O-] ZINC001444132476 1066411954 /nfs/dbraw/zinc/41/19/54/1066411954.db2.gz DHJLTIQWIRAWDC-UHFFFAOYSA-N 0 0 457.552 4.538 20 5 JJBDRN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC001444146883 1066417964 /nfs/dbraw/zinc/41/79/64/1066417964.db2.gz MQIWLLAKTLUSQG-QGZVFWFLSA-N 0 0 455.580 4.761 20 5 JJBDRN Cc1c(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Br)c1 ZINC001361146426 1066432409 /nfs/dbraw/zinc/43/24/09/1066432409.db2.gz DFVIINZXSSHDGD-UHFFFAOYSA-N 0 0 457.328 4.604 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001444245809 1066432855 /nfs/dbraw/zinc/43/28/55/1066432855.db2.gz YRFWHSFJDMRABN-MRXNPFEDSA-N 0 0 453.605 4.966 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1(C)C ZINC001455806909 1066434333 /nfs/dbraw/zinc/43/43/33/1066434333.db2.gz ZQQCWECIZOWLOU-HXUWFJFHSA-N 0 0 455.511 4.762 20 5 JJBDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001444263431 1066438433 /nfs/dbraw/zinc/43/84/33/1066438433.db2.gz GRAYDWNDTYOKSL-NRFANRHFSA-N 0 0 454.577 4.764 20 5 JJBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCc3c2cccc3Br)cc1[N+](=O)[O-] ZINC001455960779 1066461343 /nfs/dbraw/zinc/46/13/43/1066461343.db2.gz ADYFSRHCXXCRCW-OAHLLOKOSA-N 0 0 454.118 4.846 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cc1[N+](=O)[O-] ZINC001444490004 1066466704 /nfs/dbraw/zinc/46/67/04/1066466704.db2.gz RUHFLBHIOKXBSI-CQSZACIVSA-N 0 0 452.280 4.648 20 5 JJBDRN CCOc1ccc(C(C)(C)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OCC ZINC001361160870 1066467174 /nfs/dbraw/zinc/46/71/74/1066467174.db2.gz CEBUJMVCQPNVJQ-UHFFFAOYSA-N 0 0 456.539 4.740 20 5 JJBDRN C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161701 1066467774 /nfs/dbraw/zinc/46/77/74/1066467774.db2.gz VVQSQMIRPIPZAQ-IRLDBZIGSA-N 0 0 459.340 4.705 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1OCC(F)(F)F ZINC001456000142 1066469739 /nfs/dbraw/zinc/46/97/39/1066469739.db2.gz PQXJUXQUOXIGRM-UHFFFAOYSA-N 0 0 452.307 4.962 20 5 JJBDRN CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012809 1066472530 /nfs/dbraw/zinc/47/25/30/1066472530.db2.gz BVCNGBGCULVDCK-BTYIYWSLSA-N 0 0 458.946 4.632 20 5 JJBDRN COC(=O)CC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001456022373 1066479100 /nfs/dbraw/zinc/47/91/00/1066479100.db2.gz ZNSFVPMTZURSLT-OPYAIIAOSA-N 0 0 453.539 4.501 20 5 JJBDRN O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444645904 1066488070 /nfs/dbraw/zinc/48/80/70/1066488070.db2.gz WCVVYIRDRIYUNE-GOSISDBHSA-N 0 0 458.946 4.783 20 5 JJBDRN CN(C)C(=O)Sc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001456041887 1066488919 /nfs/dbraw/zinc/48/89/19/1066488919.db2.gz YAKKPMQOKQLZCW-UHFFFAOYSA-N 0 0 456.446 4.828 20 5 JJBDRN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001456057196 1066496779 /nfs/dbraw/zinc/49/67/79/1066496779.db2.gz QFDYAEHPXOAOJQ-NYHFZMIOSA-N 0 0 453.967 4.771 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456071152 1066502238 /nfs/dbraw/zinc/50/22/38/1066502238.db2.gz HEGRJRDLAPZPTP-HXUWFJFHSA-N 0 0 455.312 4.707 20 5 JJBDRN Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2Cc2ccc(F)cn2)o1 ZINC001361191359 1066517807 /nfs/dbraw/zinc/51/78/07/1066517807.db2.gz QDFHNQZKKBWYIS-UHFFFAOYSA-N 0 0 450.474 4.752 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001456135232 1066518229 /nfs/dbraw/zinc/51/82/29/1066518229.db2.gz VALKYYUXUTYZRP-QFIPXVFZSA-N 0 0 451.951 4.573 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 ZINC001456140238 1066519687 /nfs/dbraw/zinc/51/96/87/1066519687.db2.gz WZMKNLCZFPMUQY-KJDSRRNHSA-N 0 0 453.539 4.567 20 5 JJBDRN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(=O)N1c1ccccc1 ZINC001361203748 1066533579 /nfs/dbraw/zinc/53/35/79/1066533579.db2.gz ZWTXNNKCQJIMKY-KKSFZXQISA-N 0 0 453.564 4.801 20 5 JJBDRN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(=O)N1c1ccccc1 ZINC001361203746 1066533754 /nfs/dbraw/zinc/53/37/54/1066533754.db2.gz ZWTXNNKCQJIMKY-IERDGZPVSA-N 0 0 453.564 4.801 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001361204749 1066535548 /nfs/dbraw/zinc/53/55/48/1066535548.db2.gz HRIFMTLITPSRSI-FQEVSTJZSA-N 0 0 456.564 4.936 20 5 JJBDRN O=C(CCCOc1ccccc1F)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001456252119 1066547006 /nfs/dbraw/zinc/54/70/06/1066547006.db2.gz YTBBWWJXEDAHOI-UHFFFAOYSA-N 0 0 450.426 4.977 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456262793 1066549015 /nfs/dbraw/zinc/54/90/15/1066549015.db2.gz FEJCJPUSXIMGAB-AWEZNQCLSA-N 0 0 453.401 4.657 20 5 JJBDRN COc1cccc(-c2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)on2)c1 ZINC001456273047 1066552184 /nfs/dbraw/zinc/55/21/84/1066552184.db2.gz GGEYAJODEWMYRD-UHFFFAOYSA-N 0 0 458.474 4.801 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001456401131 1066578660 /nfs/dbraw/zinc/57/86/60/1066578660.db2.gz MGZSIIOTVIGFSJ-NRFANRHFSA-N 0 0 452.850 4.718 20 5 JJBDRN COc1ccccc1Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC001456424919 1066582479 /nfs/dbraw/zinc/58/24/79/1066582479.db2.gz CPRXSNZKFBWHNQ-UHFFFAOYSA-N 0 0 451.435 4.851 20 5 JJBDRN Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC001445534887 1066584176 /nfs/dbraw/zinc/58/41/76/1066584176.db2.gz OGLJZIDBMDJGSQ-SFHVURJKSA-N 0 0 456.882 4.519 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N(Cc3cncs3)Cc3cncs3)cc2[N+](=O)[O-])CC1 ZINC001456435080 1066584862 /nfs/dbraw/zinc/58/48/62/1066584862.db2.gz LFTYRAMGKUOHJP-UHFFFAOYSA-N 0 0 457.581 4.587 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC001456455127 1066591837 /nfs/dbraw/zinc/59/18/37/1066591837.db2.gz LKBWBCYNYCFNCZ-UHFFFAOYSA-N 0 0 453.476 4.690 20 5 JJBDRN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001445698024 1066605728 /nfs/dbraw/zinc/60/57/28/1066605728.db2.gz OCYXIVCVXQKZSB-INIZCTEOSA-N 0 0 454.939 4.803 20 5 JJBDRN O=C(NC[C@@H](O)COc1ccccc1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001445779759 1066615900 /nfs/dbraw/zinc/61/59/00/1066615900.db2.gz OXSRCMLGFJAFGF-MRXNPFEDSA-N 0 0 458.923 4.569 20 5 JJBDRN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001456544089 1066620719 /nfs/dbraw/zinc/62/07/19/1066620719.db2.gz QKMKIKXIKGYNIZ-KRWDZBQOSA-N 0 0 450.398 4.551 20 5 JJBDRN CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001456545471 1066621297 /nfs/dbraw/zinc/62/12/97/1066621297.db2.gz CGJIQCBGOBOQLK-RTBURBONSA-N 0 0 456.486 4.795 20 5 JJBDRN Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001361272175 1066626344 /nfs/dbraw/zinc/62/63/44/1066626344.db2.gz DRPQZBLVWCFXHN-MGPUTAFESA-N 0 0 498.609 4.621 20 5 JJBDRN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361274660 1066631707 /nfs/dbraw/zinc/63/17/07/1066631707.db2.gz LIEVMIAIVZALIW-QABNGEJJSA-N 0 0 463.456 4.969 20 5 JJBDRN CC[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC001456593085 1066636139 /nfs/dbraw/zinc/63/61/39/1066636139.db2.gz DKJNKRLQIABFLX-HNNXBMFYSA-N 0 0 457.328 4.542 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001456635679 1066653480 /nfs/dbraw/zinc/65/34/80/1066653480.db2.gz QMZYVZNKTHBGAG-IAGOWNOFSA-N 0 0 471.579 4.979 20 5 JJBDRN Nc1c(Br)cc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc1[N+](=O)[O-] ZINC001446067048 1066654617 /nfs/dbraw/zinc/65/46/17/1066654617.db2.gz GHVRTEWBDVVVRZ-UHFFFAOYSA-N 0 0 450.308 4.706 20 5 JJBDRN Cn1cc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c(C(F)F)n1 ZINC001456641968 1066655541 /nfs/dbraw/zinc/65/55/41/1066655541.db2.gz RCPILXLAXIKRON-UHFFFAOYSA-N 0 0 454.792 4.781 20 5 JJBDRN CO[C@]12CCC[C@@]1(C(=O)NCc1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)CCO2 ZINC001456644056 1066656058 /nfs/dbraw/zinc/65/60/58/1066656058.db2.gz VAHWZSIARNJYHU-VXKWHMMOSA-N 0 0 464.877 4.729 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCC(=O)N(C)c4ccccc43)cc2[N+](=O)[O-])n1 ZINC001456700427 1066670155 /nfs/dbraw/zinc/67/01/55/1066670155.db2.gz BGTYFYLMOIMIFU-UHFFFAOYSA-N 0 0 454.533 4.524 20 5 JJBDRN CC(C)Oc1cc(C(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001456723285 1066674521 /nfs/dbraw/zinc/67/45/21/1066674521.db2.gz OCNJSHHBRIJEPS-UHFFFAOYSA-N 0 0 455.511 4.928 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc21 ZINC001456726872 1066675221 /nfs/dbraw/zinc/67/52/21/1066675221.db2.gz MVDGSJYAMLCAGW-GOSISDBHSA-N 0 0 451.523 4.742 20 5 JJBDRN CC[C@@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1cccc([N+](=O)[O-])c1 ZINC001446248804 1066679607 /nfs/dbraw/zinc/67/96/07/1066679607.db2.gz YRZZMQIVCIHEJT-HXUWFJFHSA-N 0 0 455.511 4.605 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c(N)c1[N+](=O)[O-] ZINC001456749413 1066680513 /nfs/dbraw/zinc/68/05/13/1066680513.db2.gz OBAKTGHLXBYGKY-KRWDZBQOSA-N 0 0 457.531 4.538 20 5 JJBDRN COc1cc(F)cc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001446271012 1066682542 /nfs/dbraw/zinc/68/25/42/1066682542.db2.gz CWLOSZMXEOMVCB-UHFFFAOYSA-N 0 0 457.845 4.578 20 5 JJBDRN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCCN(CC(F)F)CC1 ZINC001446298248 1066687742 /nfs/dbraw/zinc/68/77/42/1066687742.db2.gz YCRMDCHVZWUKKA-UHFFFAOYSA-N 0 0 455.914 4.812 20 5 JJBDRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001456791556 1066691549 /nfs/dbraw/zinc/69/15/49/1066691549.db2.gz OAIMGDMOZATDJT-SIKLNZKXSA-N 0 0 455.561 4.980 20 5 JJBDRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001456791565 1066691721 /nfs/dbraw/zinc/69/17/21/1066691721.db2.gz OAIMGDMOZATDJT-UGKGYDQZSA-N 0 0 455.561 4.980 20 5 JJBDRN O=C(Nc1ccccc1C(=O)N1CCc2cc(F)ccc2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001446346981 1066694240 /nfs/dbraw/zinc/69/42/40/1066694240.db2.gz YEZIQBJPUGPQMX-UHFFFAOYSA-N 0 0 453.857 4.838 20 5 JJBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1 ZINC001456810187 1066697920 /nfs/dbraw/zinc/69/79/20/1066697920.db2.gz DVLBOBILQAFJEF-GOSISDBHSA-N 0 0 452.429 4.945 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001446519455 1066713983 /nfs/dbraw/zinc/71/39/83/1066713983.db2.gz JMJCJBPQUDNVGU-OAHLLOKOSA-N 0 0 457.943 4.543 20 5 JJBDRN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001456910695 1066719092 /nfs/dbraw/zinc/71/90/92/1066719092.db2.gz IZQSPUYVPZBQAM-UHFFFAOYSA-N 0 0 453.673 4.660 20 5 JJBDRN COc1cc(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001456919636 1066722340 /nfs/dbraw/zinc/72/23/40/1066722340.db2.gz IRJSSTBDSKHCKJ-MRXNPFEDSA-N 0 0 454.454 4.519 20 5 JJBDRN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001456933188 1066725411 /nfs/dbraw/zinc/72/54/11/1066725411.db2.gz SWIGYTKHKZOLPU-UHFFFAOYSA-N 0 0 455.898 4.906 20 5 JJBDRN CCOC(=O)c1cc(C(=O)Nc2nc3cc(C)ccc3n2-c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC001456933377 1066725419 /nfs/dbraw/zinc/72/54/19/1066725419.db2.gz GCRWXNLDEJVGNV-UHFFFAOYSA-N 0 0 458.474 4.980 20 5 JJBDRN CC(=O)N[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1c(F)cccc1F ZINC001456960555 1066729739 /nfs/dbraw/zinc/72/97/39/1066729739.db2.gz PRJJSJUBMILQKY-JOCHJYFZSA-N 0 0 453.445 4.674 20 5 JJBDRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001456958317 1066729745 /nfs/dbraw/zinc/72/97/45/1066729745.db2.gz IYZMAJGVZVIDPC-UHFFFAOYSA-N 0 0 459.502 4.872 20 5 JJBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001456988783 1066737057 /nfs/dbraw/zinc/73/70/57/1066737057.db2.gz UGGAJBYAKVYYCJ-HNNXBMFYSA-N 0 0 456.955 4.891 20 5 JJBDRN Cc1csc([C@@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(F)(F)F)C2)n1 ZINC001492643048 1066737813 /nfs/dbraw/zinc/73/78/13/1066737813.db2.gz XZEUCSBNFYPTCB-CQSZACIVSA-N 0 0 452.462 4.565 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cc(OC)nc3ccccc23)cc1 ZINC001457016445 1066743939 /nfs/dbraw/zinc/74/39/39/1066743939.db2.gz YAGBDFYBWNJKTC-UHFFFAOYSA-N 0 0 459.458 4.883 20 5 JJBDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC001457018381 1066744023 /nfs/dbraw/zinc/74/40/23/1066744023.db2.gz UQIRMHQDOSRQHE-FZKQIMNGSA-N 0 0 450.333 4.695 20 5 JJBDRN Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCCC2(C)C)c1 ZINC001492645895 1066747927 /nfs/dbraw/zinc/74/79/27/1066747927.db2.gz MWIGCYIRTIVJND-HSZRJFAPSA-N 0 0 455.584 4.801 20 5 JJBDRN C[C@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446881794 1066752762 /nfs/dbraw/zinc/75/27/62/1066752762.db2.gz YLASEIOTDBFUQR-OAHLLOKOSA-N 0 0 453.967 4.580 20 5 JJBDRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC001457113250 1066764852 /nfs/dbraw/zinc/76/48/52/1066764852.db2.gz HJVRUZXTRXVBNU-HXUWFJFHSA-N 0 0 456.543 4.574 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001447122116 1066776193 /nfs/dbraw/zinc/77/61/93/1066776193.db2.gz FZUJZEFTYHPWDS-FQEVSTJZSA-N 0 0 450.926 4.869 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001492668200 1066795479 /nfs/dbraw/zinc/79/54/79/1066795479.db2.gz BTECPJDGAKPKLC-UHFFFAOYSA-N 0 0 482.532 4.809 20 5 JJBDRN O=C(CCC(=O)N1CCc2c(Br)ccc(Cl)c2C1)c1cccc([N+](=O)[O-])c1 ZINC001447354492 1066797472 /nfs/dbraw/zinc/79/74/72/1066797472.db2.gz YSJYGXVZIGVSPV-UHFFFAOYSA-N 0 0 451.704 4.559 20 5 JJBDRN Cc1nc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)ccc1[N+](=O)[O-] ZINC001457291839 1066805149 /nfs/dbraw/zinc/80/51/49/1066805149.db2.gz OFIPQXIPWVRKRW-UHFFFAOYSA-N 0 0 455.268 4.565 20 5 JJBDRN C[C@H](Sc1ccccc1C(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(N)=O ZINC001457297836 1066806340 /nfs/dbraw/zinc/80/63/40/1066806340.db2.gz XDLYEEMJVFSXHH-HNNXBMFYSA-N 0 0 452.488 4.710 20 5 JJBDRN COc1cc(C)c(Br)cc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001447418580 1066806927 /nfs/dbraw/zinc/80/69/27/1066806927.db2.gz YECRTFOMQHSGFD-UHFFFAOYSA-N 0 0 458.106 4.618 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])CC2 ZINC001457304851 1066807477 /nfs/dbraw/zinc/80/74/77/1066807477.db2.gz CLAKLFCPYLHHGS-HNNXBMFYSA-N 0 0 451.951 4.795 20 5 JJBDRN Cc1cc(OCC(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC001457422569 1066828680 /nfs/dbraw/zinc/82/86/80/1066828680.db2.gz NZRVGVYFRGWLEA-UHFFFAOYSA-N 0 0 454.792 4.983 20 5 JJBDRN COc1ccc(Sc2nsc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC001457460519 1066835269 /nfs/dbraw/zinc/83/52/69/1066835269.db2.gz KXJIIXZBCPFALA-UHFFFAOYSA-N 0 0 454.892 4.580 20 5 JJBDRN CCOC(=O)c1sc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC001457521893 1066850925 /nfs/dbraw/zinc/85/09/25/1066850925.db2.gz RPOQGNUEJYNSFE-UHFFFAOYSA-N 0 0 454.508 4.726 20 5 JJBDRN O=C(Nc1c(Cl)ncnc1-n1cccn1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001457531557 1066853638 /nfs/dbraw/zinc/85/36/38/1066853638.db2.gz MEZQPOQIYLSPOI-UHFFFAOYSA-N 0 0 452.883 4.627 20 5 JJBDRN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001447806759 1066863837 /nfs/dbraw/zinc/86/38/37/1066863837.db2.gz VIIQIDVRORKFAW-MGPUTAFESA-N 0 0 454.470 4.959 20 5 JJBDRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001457579203 1066870171 /nfs/dbraw/zinc/87/01/71/1066870171.db2.gz AOAVOJYBWQPCLU-GFCCVEGCSA-N 0 0 457.284 4.595 20 5 JJBDRN COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001457600849 1066875227 /nfs/dbraw/zinc/87/52/27/1066875227.db2.gz VXNXSAPEERAIAN-QFIPXVFZSA-N 0 0 453.539 4.501 20 5 JJBDRN O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001457630588 1066886249 /nfs/dbraw/zinc/88/62/49/1066886249.db2.gz BKYRMTCCHYCMFG-QFIPXVFZSA-N 0 0 453.857 4.864 20 5 JJBDRN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001546002769 1066899902 /nfs/dbraw/zinc/89/99/02/1066899902.db2.gz VMCOYPZROFKHRP-LBPRGKRZSA-N 0 0 456.886 4.639 20 5 JJBDRN Cc1cc(C)c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1I ZINC001457712968 1066902461 /nfs/dbraw/zinc/90/24/61/1066902461.db2.gz UCZWDJWHTYQKPZ-UHFFFAOYSA-N 0 0 450.276 4.621 20 5 JJBDRN COC(=O)c1cccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 ZINC001457720058 1066904428 /nfs/dbraw/zinc/90/44/28/1066904428.db2.gz FEPORILMVNQHLN-UHFFFAOYSA-N 0 0 453.882 4.577 20 5 JJBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001448152925 1066904922 /nfs/dbraw/zinc/90/49/22/1066904922.db2.gz FYDQUWOCVDLJOC-UHFFFAOYSA-N 0 0 458.383 4.909 20 5 JJBDRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CCc2ccc(Cl)s2)n1 ZINC001492736687 1066911520 /nfs/dbraw/zinc/91/15/20/1066911520.db2.gz PKEDGRPFFZCKRR-UHFFFAOYSA-N 0 0 486.001 4.642 20 5 JJBDRN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001457773096 1066916102 /nfs/dbraw/zinc/91/61/02/1066916102.db2.gz KHRGTPVGRMBXJC-MRXNPFEDSA-N 0 0 451.262 4.552 20 5 JJBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001457801467 1066923664 /nfs/dbraw/zinc/92/36/64/1066923664.db2.gz DNQTZCBKUBOFJU-LBPRGKRZSA-N 0 0 456.134 4.871 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCCN(c2ccccc2F)CC1 ZINC001457802906 1066924083 /nfs/dbraw/zinc/92/40/83/1066924083.db2.gz NTLXECBBTMQOJN-UHFFFAOYSA-N 0 0 456.699 4.502 20 5 JJBDRN Nc1c(Br)cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cc1[N+](=O)[O-] ZINC001448416390 1066925855 /nfs/dbraw/zinc/92/58/55/1066925855.db2.gz TYLBZKLTLDODCE-UHFFFAOYSA-N 0 0 453.705 4.969 20 5 JJBDRN O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001448435337 1066927157 /nfs/dbraw/zinc/92/71/57/1066927157.db2.gz UPIAFUCKZXTFOO-AWEZNQCLSA-N 0 0 456.726 4.749 20 5 JJBDRN CC[C@@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001546006371 1066930160 /nfs/dbraw/zinc/93/01/60/1066930160.db2.gz TZWUQUQDGKGBSL-FQEVSTJZSA-N 0 0 486.617 4.859 20 5 JJBDRN Cc1csc(Oc2ccc(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)cc2F)n1 ZINC001448490048 1066932698 /nfs/dbraw/zinc/93/26/98/1066932698.db2.gz SSQIWRLPZSLFSX-UHFFFAOYSA-N 0 0 453.455 4.788 20 5 JJBDRN CC(C)(C)OC(=O)NCC1(CC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)CCCCC1 ZINC001457898089 1066938372 /nfs/dbraw/zinc/93/83/72/1066938372.db2.gz SLOGRUYJQDYFCV-UHFFFAOYSA-N 0 0 457.531 4.789 20 5 JJBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001448552348 1066938859 /nfs/dbraw/zinc/93/88/59/1066938859.db2.gz PYBUMDUKPOWNRX-OAQYLSRUSA-N 0 0 454.845 4.700 20 5 JJBDRN COc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)ccc1OC(F)F ZINC001457948196 1066945967 /nfs/dbraw/zinc/94/59/67/1066945967.db2.gz IBWFPYVRJFYLNT-UHFFFAOYSA-N 0 0 451.607 4.873 20 5 JJBDRN COc1cccc(COc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)c2C)c1 ZINC001457984505 1066952015 /nfs/dbraw/zinc/95/20/15/1066952015.db2.gz OXZBFURZHCOBJK-UHFFFAOYSA-N 0 0 458.474 4.929 20 5 JJBDRN C[C@@H](Oc1ccc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)cc1)c1ccccc1 ZINC001448719408 1066953070 /nfs/dbraw/zinc/95/30/70/1066953070.db2.gz ASIRSZQUIRCJRO-QGZVFWFLSA-N 0 0 457.490 4.520 20 5 JJBDRN Cc1ccccc1-n1ccnc1SCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001448806513 1066959019 /nfs/dbraw/zinc/95/90/19/1066959019.db2.gz NXORPLIRSMYWCO-UHFFFAOYSA-N 0 0 450.442 4.516 20 5 JJBDRN O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001448857190 1066964716 /nfs/dbraw/zinc/96/47/16/1066964716.db2.gz ZGIGCFRHLPAWAF-HNNXBMFYSA-N 0 0 455.269 4.779 20 5 JJBDRN CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)nc1C(C)C ZINC001458065703 1066965354 /nfs/dbraw/zinc/96/53/54/1066965354.db2.gz DEZDVZLRYZHBHW-UHFFFAOYSA-N 0 0 456.318 4.675 20 5 JJBDRN C[C@@H](C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001448889439 1066967116 /nfs/dbraw/zinc/96/71/16/1066967116.db2.gz KGOMHEUYXDMGFX-CJNGLKHVSA-N 0 0 450.308 4.703 20 5 JJBDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC001448925222 1066970441 /nfs/dbraw/zinc/97/04/41/1066970441.db2.gz BFOWWBNHAYBERG-UHFFFAOYSA-N 0 0 452.536 4.788 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cnc1Sc1nnc(-c2cccc(Br)c2)o1 ZINC001458083962 1066970457 /nfs/dbraw/zinc/97/04/57/1066970457.db2.gz YRCTWVPOGLBVCC-UHFFFAOYSA-N 0 0 458.091 4.716 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001448925891 1066970664 /nfs/dbraw/zinc/97/06/64/1066970664.db2.gz SIROLQWLGKOJAU-KRWDZBQOSA-N 0 0 459.568 4.793 20 5 JJBDRN CSc1nnc(CCCNc2ncc([N+](=O)[O-])c(C)c2Br)n1C1CCCC1 ZINC001458095180 1066973656 /nfs/dbraw/zinc/97/36/56/1066973656.db2.gz XVRWWPGMONZXIJ-UHFFFAOYSA-N 0 0 455.382 4.534 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ncccc3Br)CC2)s1 ZINC001458110787 1066978593 /nfs/dbraw/zinc/97/85/93/1066978593.db2.gz ZKFWCIXNMFYCDP-UHFFFAOYSA-N 0 0 459.369 4.803 20 5 JJBDRN CC[C@@H](c1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])o1)c1ccccc1 ZINC001458155576 1066990679 /nfs/dbraw/zinc/99/06/79/1066990679.db2.gz BYDWHPJTRMKUJG-CYBMUJFWSA-N 0 0 455.464 4.667 20 5 JJBDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001458156564 1066991737 /nfs/dbraw/zinc/99/17/37/1066991737.db2.gz UNQZHKHDTZKNJS-SBUREZEXSA-N 0 0 458.990 4.643 20 5 JJBDRN CCc1nn(C)c(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001458169673 1066995106 /nfs/dbraw/zinc/99/51/06/1066995106.db2.gz PIEPASHOFRVAFE-NRFANRHFSA-N 0 0 454.575 4.584 20 5 JJBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(Oc2cccc3ccccc32)c1 ZINC001449303070 1066996683 /nfs/dbraw/zinc/99/66/83/1066996683.db2.gz VEWVHHMJFGHXLA-UHFFFAOYSA-N 0 0 455.470 4.587 20 5 JJBDRN O=[N+]([O-])c1cc2c(nc1Nc1cccc(CS(=O)(=O)c3ccc(F)cc3F)c1)CCCC2 ZINC001458183476 1066999050 /nfs/dbraw/zinc/99/90/50/1066999050.db2.gz YXGXCFUKPNEXCW-UHFFFAOYSA-N 0 0 459.474 4.864 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)CCc3cccn3C)c([N+](=O)[O-])c2)c(C)c1 ZINC001458182556 1066999055 /nfs/dbraw/zinc/99/90/55/1066999055.db2.gz BVWUTHDJHMGPGM-GOSISDBHSA-N 0 0 456.568 4.784 20 5 JJBDRN Cc1cc(Br)ccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001458187479 1067000472 /nfs/dbraw/zinc/00/04/72/1067000472.db2.gz MGKKYKIAEFGMQH-UHFFFAOYSA-N 0 0 453.236 4.571 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)c2c1 ZINC001458198622 1067001855 /nfs/dbraw/zinc/00/18/55/1067001855.db2.gz QFYDCUIRGVXBSB-LLVKDONJSA-N 0 0 453.808 4.781 20 5 JJBDRN COc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] ZINC001458223784 1067006849 /nfs/dbraw/zinc/00/68/49/1067006849.db2.gz GMLRQOOXIDYODA-UHFFFAOYSA-N 0 0 458.824 4.526 20 5 JJBDRN Cc1nc(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC001458240493 1067010033 /nfs/dbraw/zinc/01/00/33/1067010033.db2.gz AEQBIQCFXHNQLJ-UHFFFAOYSA-N 0 0 451.870 4.788 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)NC[C@H](c3nnc[nH]3)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001449472509 1067011061 /nfs/dbraw/zinc/01/10/61/1067011061.db2.gz OERPMCAOBUICKP-FQEVSTJZSA-N 0 0 459.531 4.734 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@H]1CCCC[C@@H]1O ZINC001449600363 1067017062 /nfs/dbraw/zinc/01/70/62/1067017062.db2.gz NSLAHBZWQKJBIP-VLIBJNPZSA-N 0 0 451.548 4.803 20 5 JJBDRN COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001458295101 1067023699 /nfs/dbraw/zinc/02/36/99/1067023699.db2.gz KKKKIWHINDRPPJ-UHFFFAOYSA-N 0 0 451.504 4.895 20 5 JJBDRN CCC(CC)[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC001458295335 1067024027 /nfs/dbraw/zinc/02/40/27/1067024027.db2.gz YZWCXRYWAVNREC-AVRDEDQJSA-N 0 0 453.605 4.555 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001458315771 1067028364 /nfs/dbraw/zinc/02/83/64/1067028364.db2.gz HMBXZZALGQOUDJ-SFHVURJKSA-N 0 0 454.355 4.709 20 5 JJBDRN Cc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001545752672 1067028573 /nfs/dbraw/zinc/02/85/73/1067028573.db2.gz AYCMHAOINOAUOF-FQEVSTJZSA-N 0 0 455.492 4.557 20 5 JJBDRN COc1ccc(Br)c(CC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 ZINC001458318140 1067028982 /nfs/dbraw/zinc/02/89/82/1067028982.db2.gz KGIJSOXNYWHTMU-NRFANRHFSA-N 0 0 457.280 4.636 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nc1 ZINC001458321323 1067029852 /nfs/dbraw/zinc/02/98/52/1067029852.db2.gz RLSWMBYMONFWGV-HXUWFJFHSA-N 0 0 450.451 4.678 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001458330453 1067032622 /nfs/dbraw/zinc/03/26/22/1067032622.db2.gz YDAMEFXJYPDZSD-YPAWHYETSA-N 0 0 457.596 4.788 20 5 JJBDRN CCOC(=O)c1ccnc(N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001458332018 1067032834 /nfs/dbraw/zinc/03/28/34/1067032834.db2.gz QYRMHLGRXMJGJL-UHFFFAOYSA-N 0 0 455.511 4.506 20 5 JJBDRN Cc1c(Br)c(N[C@@H]2CCN(c3cccc(Br)c3)C2)ncc1[N+](=O)[O-] ZINC001458340002 1067034981 /nfs/dbraw/zinc/03/49/81/1067034981.db2.gz FYVCDVDMBSNTHQ-GFCCVEGCSA-N 0 0 456.138 4.514 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001449901089 1067035889 /nfs/dbraw/zinc/03/58/89/1067035889.db2.gz MBDKWPHASLCXJM-VQIMIIECSA-N 0 0 475.492 4.644 20 5 JJBDRN Cc1cc(-c2cc(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])c3c(C)noc3n2)c(C)o1 ZINC001458343968 1067036493 /nfs/dbraw/zinc/03/64/93/1067036493.db2.gz VCBOSXNCZRSYJP-UHFFFAOYSA-N 0 0 454.870 4.942 20 5 JJBDRN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC001458370636 1067044053 /nfs/dbraw/zinc/04/40/53/1067044053.db2.gz LDMLUNULOHCJEJ-LJQANCHMSA-N 0 0 451.976 4.884 20 5 JJBDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC001458372360 1067044869 /nfs/dbraw/zinc/04/48/69/1067044869.db2.gz YEJYOKMAYRULED-SFYZADRCSA-N 0 0 451.858 4.756 20 5 JJBDRN O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1I ZINC001458388754 1067048801 /nfs/dbraw/zinc/04/88/01/1067048801.db2.gz XTYLBFCPPLZLRH-SFHVURJKSA-N 0 0 450.276 4.861 20 5 JJBDRN O=[N+]([O-])c1ccc(N2CC[C@H](Cc3cccc(I)c3)C2)c2ccncc21 ZINC001458397052 1067051053 /nfs/dbraw/zinc/05/10/53/1067051053.db2.gz DUNRAVNTDVEDNK-OAHLLOKOSA-N 0 0 459.287 4.817 20 5 JJBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](Cc3cccc(I)c3)C2)c2ccncc21 ZINC001458397049 1067051094 /nfs/dbraw/zinc/05/10/94/1067051094.db2.gz DUNRAVNTDVEDNK-HNNXBMFYSA-N 0 0 459.287 4.817 20 5 JJBDRN COc1ccc([C@H](C)NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c(Br)c1 ZINC001458415848 1067056289 /nfs/dbraw/zinc/05/62/89/1067056289.db2.gz WQWIKWMQEJOEQL-ZDUSSCGKSA-N 0 0 456.296 4.919 20 5 JJBDRN COc1cc(N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001458427886 1067058323 /nfs/dbraw/zinc/05/83/23/1067058323.db2.gz GJVOUBXESZMPJS-WMLDXEAASA-N 0 0 465.909 4.893 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1 ZINC001458427775 1067058353 /nfs/dbraw/zinc/05/83/53/1067058353.db2.gz FSAPUKSBLKVNRL-BEFAXECRSA-N 0 0 455.502 4.821 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)SC ZINC001545772676 1067061493 /nfs/dbraw/zinc/06/14/93/1067061493.db2.gz IBCKFXHYJVVHIP-RHGYRFJNSA-N 0 0 489.642 4.548 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)SC ZINC001545772675 1067061550 /nfs/dbraw/zinc/06/15/50/1067061550.db2.gz IBCKFXHYJVVHIP-LLJLJFOGSA-N 0 0 489.642 4.548 20 5 JJBDRN Cc1c(Br)c(N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001458453922 1067067179 /nfs/dbraw/zinc/06/71/79/1067067179.db2.gz IFSYGZSAMXWXTC-JKSUJKDBSA-N 0 0 462.344 4.622 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCCN(c4ccccc4F)C3)cc2[N+](=O)[O-])C1 ZINC001458461841 1067068526 /nfs/dbraw/zinc/06/85/26/1067068526.db2.gz KBZXLPAUXLHABC-GGPKGHCWSA-N 0 0 454.546 4.615 20 5 JJBDRN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC001458464269 1067068700 /nfs/dbraw/zinc/06/87/00/1067068700.db2.gz SDHNNQUQMSYCHA-UHFFFAOYSA-N 0 0 452.063 4.612 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001458499563 1067075714 /nfs/dbraw/zinc/07/57/14/1067075714.db2.gz VIXROELUHMQMSZ-AWEZNQCLSA-N 0 0 453.542 4.506 20 5 JJBDRN CCOC(=O)C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001458524726 1067080640 /nfs/dbraw/zinc/08/06/40/1067080640.db2.gz FINCWQICOOHUIL-BBTUJRGHSA-N 0 0 453.539 4.501 20 5 JJBDRN O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c([N+](=O)[O-])c1 ZINC001458530044 1067082356 /nfs/dbraw/zinc/08/23/56/1067082356.db2.gz IZPPDUGRKIFISK-LJQANCHMSA-N 0 0 453.857 4.836 20 5 JJBDRN COC(=O)c1cc(C)nc(N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001458547633 1067085642 /nfs/dbraw/zinc/08/56/42/1067085642.db2.gz LBWKZBGVTCYSCH-FQEVSTJZSA-N 0 0 455.408 4.844 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001458579553 1067090488 /nfs/dbraw/zinc/09/04/88/1067090488.db2.gz LGWDUXIEJRGLAO-ZYHUDNBSSA-N 0 0 457.371 4.753 20 5 JJBDRN Cc1cc(Cl)c(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001458595372 1067092183 /nfs/dbraw/zinc/09/21/83/1067092183.db2.gz SGMYHKKYZKUIGX-UHFFFAOYSA-N 0 0 454.792 4.952 20 5 JJBDRN O=[N+]([O-])c1ccc2[nH]c(CCCNc3nc(C(F)(F)F)c(Br)s3)nc2c1 ZINC001458596845 1067092290 /nfs/dbraw/zinc/09/22/90/1067092290.db2.gz BLNLXJZFVCUSQP-UHFFFAOYSA-N 0 0 450.240 4.754 20 5 JJBDRN CC(C)Oc1cc(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)ccc1[N+](=O)[O-] ZINC001458605236 1067093321 /nfs/dbraw/zinc/09/33/21/1067093321.db2.gz UABAZZJQVBRCSD-UHFFFAOYSA-N 0 0 451.266 4.627 20 5 JJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001450605586 1067094557 /nfs/dbraw/zinc/09/45/57/1067094557.db2.gz LGGRAOGDPMHLMM-VBKZILBWSA-N 0 0 459.296 4.689 20 5 JJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450605601 1067094656 /nfs/dbraw/zinc/09/46/56/1067094656.db2.gz LGGRAOGDPMHLMM-VLIAUNLRSA-N 0 0 459.296 4.689 20 5 JJBDRN Nc1c(Br)cc(Br)cc1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001458615266 1067096131 /nfs/dbraw/zinc/09/61/31/1067096131.db2.gz FNWFZBUOZMTCBA-UHFFFAOYSA-N 0 0 452.106 4.862 20 5 JJBDRN CCC(O)(CC)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001546024535 1067096761 /nfs/dbraw/zinc/09/67/61/1067096761.db2.gz INPNLIQLNHVTGE-UHFFFAOYSA-N 0 0 453.543 4.586 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001450630928 1067097742 /nfs/dbraw/zinc/09/77/42/1067097742.db2.gz XWCGQWTZRZRISV-MRXNPFEDSA-N 0 0 451.228 4.510 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001458632449 1067099548 /nfs/dbraw/zinc/09/95/48/1067099548.db2.gz OTQWZGIMZDZQIX-INIZCTEOSA-N 0 0 453.930 4.541 20 5 JJBDRN CCC(O)(CC)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001546024982 1067101331 /nfs/dbraw/zinc/10/13/31/1067101331.db2.gz XCLJERFLQKKJHA-GOSISDBHSA-N 0 0 470.599 4.553 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCCCC2 ZINC001458657649 1067101852 /nfs/dbraw/zinc/10/18/52/1067101852.db2.gz ITNMOFPTLJQGDM-UHFFFAOYSA-N 0 0 452.536 4.608 20 5 JJBDRN Cc1cc(N2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001458663060 1067103065 /nfs/dbraw/zinc/10/30/65/1067103065.db2.gz GVTXTOJTXCETAC-UHFFFAOYSA-N 0 0 459.465 4.527 20 5 JJBDRN CSc1ccc(Br)cc1CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001458663521 1067103781 /nfs/dbraw/zinc/10/37/81/1067103781.db2.gz IFAVJSQEHMCKJE-UHFFFAOYSA-N 0 0 450.358 4.626 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](c3cnn(C)c3)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC001458674537 1067106368 /nfs/dbraw/zinc/10/63/68/1067106368.db2.gz PSAYNHJHFFFLLE-JOCHJYFZSA-N 0 0 457.556 4.555 20 5 JJBDRN Cc1nc(N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC001458732961 1067124182 /nfs/dbraw/zinc/12/41/82/1067124182.db2.gz WUMCKMCKYVJONJ-GOSISDBHSA-N 0 0 454.527 4.686 20 5 JJBDRN O=C(N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001458768839 1067136719 /nfs/dbraw/zinc/13/67/19/1067136719.db2.gz FPGQKACPJKKTLN-GFCCVEGCSA-N 0 0 450.291 4.766 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC001458775469 1067140733 /nfs/dbraw/zinc/14/07/33/1067140733.db2.gz FFUBBYRISASRCO-UHFFFAOYSA-N 0 0 454.943 4.852 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451153343 1067150596 /nfs/dbraw/zinc/15/05/96/1067150596.db2.gz CRRVHJAZHUXWGP-INIZCTEOSA-N 0 0 455.458 4.540 20 5 JJBDRN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451187745 1067152746 /nfs/dbraw/zinc/15/27/46/1067152746.db2.gz YWHHCJCDPDUNEO-NSHDSACASA-N 0 0 459.223 4.862 20 5 JJBDRN COc1cccc(C(=O)c2c(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)sc3c2CCC3)c1 ZINC001458823630 1067157256 /nfs/dbraw/zinc/15/72/56/1067157256.db2.gz JQUJDZNFZMGJRD-UHFFFAOYSA-N 0 0 458.442 4.915 20 5 JJBDRN C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001546030495 1067161328 /nfs/dbraw/zinc/16/13/28/1067161328.db2.gz JTOPQSCMXYVRGG-SECBINFHSA-N 0 0 457.122 4.535 20 5 JJBDRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458852866 1067173159 /nfs/dbraw/zinc/17/31/59/1067173159.db2.gz GHPNWHNQWVZKGO-NXEZZACHSA-N 0 0 451.232 4.890 20 5 JJBDRN CC[C@@H](NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001545841499 1067194389 /nfs/dbraw/zinc/19/43/89/1067194389.db2.gz KHLIWXODTCYQOQ-KUHUBIRLSA-N 0 0 453.442 4.612 20 5 JJBDRN COc1cc(Cn2nc(-c3ccc(Br)cc3Cl)nc2C)c([N+](=O)[O-])cc1F ZINC001458951042 1067206389 /nfs/dbraw/zinc/20/63/89/1067206389.db2.gz UFWLKAQOQWPLOW-UHFFFAOYSA-N 0 0 455.671 4.774 20 5 JJBDRN COc1cc(CSc2nc3cc(Cl)ccc3c(=O)[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC001458957590 1067208519 /nfs/dbraw/zinc/20/85/19/1067208519.db2.gz LUNRODRWBYQLSU-UHFFFAOYSA-N 0 0 457.842 4.842 20 5 JJBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001458965760 1067212062 /nfs/dbraw/zinc/21/20/62/1067212062.db2.gz VUGKCBMJEFBYBF-HXUWFJFHSA-N 0 0 451.306 4.740 20 5 JJBDRN O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001458982171 1067217713 /nfs/dbraw/zinc/21/77/13/1067217713.db2.gz QCTSEVLXMWFMMB-UHFFFAOYSA-N 0 0 451.047 4.687 20 5 JJBDRN Cc1c(CNC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001458993960 1067222977 /nfs/dbraw/zinc/22/29/77/1067222977.db2.gz KMVCAFCYUFPHLQ-UHFFFAOYSA-N 0 0 455.540 4.668 20 5 JJBDRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001459003782 1067227222 /nfs/dbraw/zinc/22/72/22/1067227222.db2.gz ZGTOGFLYGAEOIR-HNNXBMFYSA-N 0 0 458.190 4.508 20 5 JJBDRN COC(=O)c1cc(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc([N+](=O)[O-])c1 ZINC001459026831 1067231819 /nfs/dbraw/zinc/23/18/19/1067231819.db2.gz BPXYOAZGWIHGSX-UHFFFAOYSA-N 0 0 456.804 4.515 20 5 JJBDRN O=C(COc1cc([N+](=O)[O-])ccc1I)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001459029435 1067233322 /nfs/dbraw/zinc/23/33/22/1067233322.db2.gz CDPFBQWKDXIVHB-NXEZZACHSA-N 0 0 457.186 4.516 20 5 JJBDRN O=C(NCc1nc2ccc(Br)cc2o1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001452554671 1067233634 /nfs/dbraw/zinc/23/36/34/1067233634.db2.gz PQRHJMSEDXPZNW-UHFFFAOYSA-N 0 0 459.281 4.552 20 5 JJBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1cccc([N+](=O)[O-])c1Br ZINC001459033428 1067234854 /nfs/dbraw/zinc/23/48/54/1067234854.db2.gz ZQDOTTFSALATIG-UHFFFAOYSA-N 0 0 451.220 4.850 20 5 JJBDRN CC(C)[C@@H](NC(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC001459038780 1067236246 /nfs/dbraw/zinc/23/62/46/1067236246.db2.gz LDHHSNLLFQIDIR-HXUWFJFHSA-N 0 0 458.312 4.798 20 5 JJBDRN O=C(Oc1ccc(F)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1I ZINC001459075702 1067245897 /nfs/dbraw/zinc/24/58/97/1067245897.db2.gz UJTDVMDSDKVGHZ-UHFFFAOYSA-N 0 0 455.101 4.577 20 5 JJBDRN O=[N+]([O-])c1cccc(CSc2ncc(CO)n2Cc2cccc(F)c2)c1Br ZINC001459114907 1067253594 /nfs/dbraw/zinc/25/35/94/1067253594.db2.gz VFSKSFCMJFMUGO-UHFFFAOYSA-N 0 0 452.305 4.526 20 5 JJBDRN CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)CCO2 ZINC001459221939 1067272938 /nfs/dbraw/zinc/27/29/38/1067272938.db2.gz NSNJLTUNSRBYQU-FVJLSDCUSA-N 0 0 453.539 4.729 20 5 JJBDRN O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001459228688 1067274272 /nfs/dbraw/zinc/27/42/72/1067274272.db2.gz PIZLBUCCMBLYPQ-BDTNDASRSA-N 0 0 466.335 4.956 20 5 JJBDRN Cc1nc2cc(Br)cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2o1 ZINC001459259567 1067278808 /nfs/dbraw/zinc/27/88/08/1067278808.db2.gz DWFORGWEENHCOE-MRVPVSSYSA-N 0 0 454.664 4.866 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001459299410 1067286397 /nfs/dbraw/zinc/28/63/97/1067286397.db2.gz XHVSHLCDUCGWRA-LJQANCHMSA-N 0 0 454.527 4.938 20 5 JJBDRN O=C(Nc1nc2ccc(I)cc2s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001459303483 1067287780 /nfs/dbraw/zinc/28/77/80/1067287780.db2.gz DUMKALCZUMFEPT-UHFFFAOYSA-N 0 0 459.652 4.715 20 5 JJBDRN COc1cc(C)c([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2I)cc1C ZINC001459320680 1067294682 /nfs/dbraw/zinc/29/46/82/1067294682.db2.gz LPXKWKKDIXHYJJ-LBPRGKRZSA-N 0 0 455.248 4.743 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC001459370375 1067305303 /nfs/dbraw/zinc/30/53/03/1067305303.db2.gz ZBKVEIFCRFYKOW-UHFFFAOYSA-N 0 0 451.483 4.966 20 5 JJBDRN COc1ccc(NC(C)=O)cc1N(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC001459373402 1067306215 /nfs/dbraw/zinc/30/62/15/1067306215.db2.gz GZLZDBTVDAECTF-UHFFFAOYSA-N 0 0 457.530 4.563 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC001453687142 1067322618 /nfs/dbraw/zinc/32/26/18/1067322618.db2.gz BTHXTJACTGYTIH-LRTDBIEQSA-N 0 0 453.873 4.745 20 5 JJBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC001453879331 1067333327 /nfs/dbraw/zinc/33/33/27/1067333327.db2.gz QCVDHDWZHKAGIO-HNNXBMFYSA-N 0 0 457.836 4.654 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)c1 ZINC001459515521 1067342628 /nfs/dbraw/zinc/34/26/28/1067342628.db2.gz PFDRODOJMPBOEP-QFIPXVFZSA-N 0 0 458.440 4.624 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC001459564188 1067352809 /nfs/dbraw/zinc/35/28/09/1067352809.db2.gz KZOOJEYXWOGQEV-UZLBHIALSA-N 0 0 459.930 4.592 20 5 JJBDRN C[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001459566846 1067354092 /nfs/dbraw/zinc/35/40/92/1067354092.db2.gz UMTIBLJEEHDDTG-PJSAGSTRSA-N 0 0 457.836 4.580 20 5 JJBDRN C[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001459566847 1067354138 /nfs/dbraw/zinc/35/41/38/1067354138.db2.gz UMTIBLJEEHDDTG-UUWFMWQGSA-N 0 0 457.836 4.580 20 5 JJBDRN CC1(C)C[C@@H](OC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2cc(Br)ccc2O1 ZINC001459610438 1067363157 /nfs/dbraw/zinc/36/31/57/1067363157.db2.gz QAWVOJWNNCLXNO-MRXNPFEDSA-N 0 0 450.241 4.545 20 5 JJBDRN C[C@@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl ZINC001459643290 1067370872 /nfs/dbraw/zinc/37/08/72/1067370872.db2.gz JEHKSJHAJMFCFM-CQSZACIVSA-N 0 0 452.338 4.622 20 5 JJBDRN Cc1nc(NC(=O)CCNc2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)c(F)c1F ZINC001459650496 1067372035 /nfs/dbraw/zinc/37/20/35/1067372035.db2.gz OWVYUJURXVUXQI-UHFFFAOYSA-N 0 0 450.442 4.809 20 5 JJBDRN COC(=O)[C@@H](C)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1C ZINC001459710432 1067391357 /nfs/dbraw/zinc/39/13/57/1067391357.db2.gz CNUYVBWFGPAMBF-LLVKDONJSA-N 0 0 455.692 4.527 20 5 JJBDRN O=C(Cn1c2ccccc2nc1-c1ccccc1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001459740989 1067401507 /nfs/dbraw/zinc/40/15/07/1067401507.db2.gz BDBXFVCVNRPLIL-UHFFFAOYSA-N 0 0 454.408 4.947 20 5 JJBDRN Cc1nn(-c2ccccc2)c2nc(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc12 ZINC001459742640 1067401976 /nfs/dbraw/zinc/40/19/76/1067401976.db2.gz KJNBNNZSOFJEGQ-UHFFFAOYSA-N 0 0 455.396 4.586 20 5 JJBDRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC001459759255 1067410883 /nfs/dbraw/zinc/41/08/83/1067410883.db2.gz OMMVIOOTNGWQPT-MRXNPFEDSA-N 0 0 453.520 4.512 20 5 JJBDRN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001459783640 1067420635 /nfs/dbraw/zinc/42/06/35/1067420635.db2.gz BKGCPYWGFYKFNW-ZRCGQRJVSA-N 0 0 453.583 4.845 20 5 JJBDRN Cc1c(CN(C)C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cnn1C ZINC001459791675 1067424479 /nfs/dbraw/zinc/42/44/79/1067424479.db2.gz JARWSTVBHGTTGK-UHFFFAOYSA-N 0 0 453.549 4.670 20 5 JJBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001459820962 1067438311 /nfs/dbraw/zinc/43/83/11/1067438311.db2.gz AWXHODILAFAYSF-UHFFFAOYSA-N 0 0 450.451 4.975 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001459821167 1067438692 /nfs/dbraw/zinc/43/86/92/1067438692.db2.gz ZRFCXOUHVFFJHW-GBXCKJPGSA-N 0 0 457.502 4.668 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC001459840712 1067448167 /nfs/dbraw/zinc/44/81/67/1067448167.db2.gz DYRIDVVNKOBNMW-UHFFFAOYSA-N 0 0 454.365 4.580 20 5 JJBDRN O=C(CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001459962104 1067508923 /nfs/dbraw/zinc/50/89/23/1067508923.db2.gz CRSNVMPVSJEJEL-QGZVFWFLSA-N 0 0 459.877 4.996 20 5 JJBDRN Cc1ccc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(Br)c1 ZINC001460008038 1067524641 /nfs/dbraw/zinc/52/46/41/1067524641.db2.gz ZTARUXCQVAAVPW-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC001460011842 1067526752 /nfs/dbraw/zinc/52/67/52/1067526752.db2.gz ONTJTMLWIJDTCQ-FQEVSTJZSA-N 0 0 454.365 4.580 20 5 JJBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC001460016220 1067528739 /nfs/dbraw/zinc/52/87/39/1067528739.db2.gz SVSDYNFJGJGKEM-UHFFFAOYSA-N 0 0 458.765 4.733 20 5 JJBDRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460015400 1067528786 /nfs/dbraw/zinc/52/87/86/1067528786.db2.gz BBIWIWWIJOTATQ-UHFFFAOYSA-N 0 0 457.826 4.996 20 5 JJBDRN O=C(NC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)OCc1ccccc1 ZINC001460048483 1067538831 /nfs/dbraw/zinc/53/88/31/1067538831.db2.gz ZFFGTSMGILGEEM-KRWDZBQOSA-N 0 0 451.445 4.752 20 5 JJBDRN O=C(c1cccc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1)N1CCCCC1 ZINC001460101779 1067555248 /nfs/dbraw/zinc/55/52/48/1067555248.db2.gz SDDUOGLSRSQYLX-UHFFFAOYSA-N 0 0 458.356 4.542 20 5 JJBDRN Cc1c(NC(=O)CCN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137801 1067562900 /nfs/dbraw/zinc/56/29/00/1067562900.db2.gz OCRSHKYSSKFHCN-VBKZILBWSA-N 0 0 451.445 4.713 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001460216783 1067581846 /nfs/dbraw/zinc/58/18/46/1067581846.db2.gz VDSRUZHUKMNFFU-GFCCVEGCSA-N 0 0 454.118 4.750 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001460216785 1067581856 /nfs/dbraw/zinc/58/18/56/1067581856.db2.gz VDSRUZHUKMNFFU-LBPRGKRZSA-N 0 0 454.118 4.750 20 5 JJBDRN Cc1cc(OCC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC001460351691 1067615021 /nfs/dbraw/zinc/61/50/21/1067615021.db2.gz QOIGLQLGXJEFTA-UHFFFAOYSA-N 0 0 453.720 4.546 20 5 JJBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460353891 1067615322 /nfs/dbraw/zinc/61/53/22/1067615322.db2.gz HCXZLAXMOQNIEF-GFCCVEGCSA-N 0 0 457.745 4.704 20 5 JJBDRN O=[N+]([O-])c1cccc(CN2CCOC[C@H]2c2cccc(Br)c2)c1Br ZINC001460456049 1067637610 /nfs/dbraw/zinc/63/76/10/1067637610.db2.gz TWMMZLRZCNXKJP-INIZCTEOSA-N 0 0 456.134 4.693 20 5 JJBDRN COc1cc(C(=O)Nc2cc3cccnc3c(OC)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460480438 1067642324 /nfs/dbraw/zinc/64/23/24/1067642324.db2.gz HZNQAPLFEQWAHJ-UHFFFAOYSA-N 0 0 459.458 4.992 20 5 JJBDRN CC(C)Oc1cc(C(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)ccc1[N+](=O)[O-] ZINC001460524406 1067649742 /nfs/dbraw/zinc/64/97/42/1067649742.db2.gz JAWYXEIDLGRKPQ-UHFFFAOYSA-N 0 0 450.894 4.696 20 5 JJBDRN C[C@@H]1CN(c2ccc(C(=O)OCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)C[C@@H](C)O1 ZINC001460600044 1067666442 /nfs/dbraw/zinc/66/64/42/1067666442.db2.gz STMPBFANZBSSQW-HZPDHXFCSA-N 0 0 453.520 4.689 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001460611323 1067669799 /nfs/dbraw/zinc/66/97/99/1067669799.db2.gz CULYJAXJOHGIRO-YKSBVNFPSA-N 0 0 457.502 4.668 20 5 JJBDRN COc1cc(C(=O)O[C@H](C)c2ccc(N(C)C)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460678865 1067698664 /nfs/dbraw/zinc/69/86/64/1067698664.db2.gz VYWZTTIKMBLUTG-MRXNPFEDSA-N 0 0 451.479 4.561 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001460691742 1067702794 /nfs/dbraw/zinc/70/27/94/1067702794.db2.gz NQHJAEPSBBBLIW-JOCHJYFZSA-N 0 0 458.873 4.840 20 5 JJBDRN COc1cc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460739965 1067712952 /nfs/dbraw/zinc/71/29/52/1067712952.db2.gz BWPBTVQKLZOFNZ-NSHDSACASA-N 0 0 450.360 4.997 20 5 JJBDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460799855 1067726673 /nfs/dbraw/zinc/72/66/73/1067726673.db2.gz XFBGUEXHUDJAEO-VOIUYBSRSA-N 0 0 459.518 4.563 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001460810632 1067728287 /nfs/dbraw/zinc/72/82/87/1067728287.db2.gz VTEBDDTYJYEGEN-QAPCUYQASA-N 0 0 450.276 4.608 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1 ZINC001460914064 1067746992 /nfs/dbraw/zinc/74/69/92/1067746992.db2.gz JDFSABZSROZRDL-OAHLLOKOSA-N 0 0 458.368 4.509 20 5 JJBDRN COc1ccc(CNc2ccc(NC(C)=O)c(OC)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461061862 1067773204 /nfs/dbraw/zinc/77/32/04/1067773204.db2.gz VUXYGYKGLZCJIY-UHFFFAOYSA-N 0 0 451.479 4.762 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001461075660 1067776796 /nfs/dbraw/zinc/77/67/96/1067776796.db2.gz SYCRNWXUIGCAFO-GOSISDBHSA-N 0 0 453.539 4.989 20 5 JJBDRN O=C(OCc1cc(Cl)ccc1I)c1c(Cl)cccc1[N+](=O)[O-] ZINC001461102750 1067782370 /nfs/dbraw/zinc/78/23/70/1067782370.db2.gz CYOLWBSBMSWRCN-UHFFFAOYSA-N 0 0 452.031 4.863 20 5 JJBDRN CC(C)[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001461198721 1067797838 /nfs/dbraw/zinc/79/78/38/1067797838.db2.gz WCGWMCVBFFDXMB-WMZOPIPTSA-N 0 0 456.543 4.507 20 5 JJBDRN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nccc(-c2sccc2Br)n1 ZINC001461300301 1067822574 /nfs/dbraw/zinc/82/25/74/1067822574.db2.gz ZVIUIVTYKHEELV-UHFFFAOYSA-N 0 0 453.705 4.806 20 5 JJBDRN C[C@@H](COCC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001461367676 1067839851 /nfs/dbraw/zinc/83/98/51/1067839851.db2.gz UPECPOUTGHFQDH-IBGZPJMESA-N 0 0 451.567 4.599 20 5 JJBDRN Cc1cc(OCCN2CCNC2=O)ccc1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001461457423 1067861225 /nfs/dbraw/zinc/86/12/25/1067861225.db2.gz WLTQYKKIGSJVJE-UHFFFAOYSA-N 0 0 452.536 4.648 20 5 JJBDRN CCOc1cc(CNc2cncc(F)c2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001461467272 1067864156 /nfs/dbraw/zinc/86/41/56/1067864156.db2.gz ZXTYWKVKZYESSJ-UHFFFAOYSA-N 0 0 455.442 4.585 20 5 JJBDRN CCOc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)ccc1[N+](=O)[O-] ZINC001461467855 1067864363 /nfs/dbraw/zinc/86/43/63/1067864363.db2.gz GAFPUDGTZYZJDH-UHFFFAOYSA-N 0 0 459.458 4.663 20 5 JJBDRN Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001461478053 1067869364 /nfs/dbraw/zinc/86/93/64/1067869364.db2.gz OYPKZKUOAJLTOZ-WOJBJXKFSA-N 0 0 457.502 4.565 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)c2ccccc2)cc1 ZINC001461490626 1067874148 /nfs/dbraw/zinc/87/41/48/1067874148.db2.gz AIBFKRIKWGUUEO-RUZDIDTESA-N 0 0 456.502 4.676 20 5 JJBDRN O=C(c1ccc(I)cc1Cl)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001461499514 1067877015 /nfs/dbraw/zinc/87/70/15/1067877015.db2.gz VKQDZWBIXBHRGJ-UHFFFAOYSA-N 0 0 456.667 4.836 20 5 JJBDRN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001461508692 1067878735 /nfs/dbraw/zinc/87/87/35/1067878735.db2.gz JJIGHWSJZFCSPC-UHFFFAOYSA-N 0 0 453.354 4.793 20 5 JJBDRN O=C(Nc1c(Br)ncc2ccccc21)c1cccc([N+](=O)[O-])c1Br ZINC001461545838 1067885779 /nfs/dbraw/zinc/88/57/79/1067885779.db2.gz AIVCXOQUYKGPRM-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN COc1cc(CN[C@@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461604464 1067900073 /nfs/dbraw/zinc/90/00/73/1067900073.db2.gz GJBRNHOESSMMIM-HXUWFJFHSA-N 0 0 450.491 4.804 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC001461659348 1067912099 /nfs/dbraw/zinc/91/20/99/1067912099.db2.gz BHDWDCKNZTXKBY-NSHDSACASA-N 0 0 451.704 4.856 20 5 JJBDRN O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001461707972 1067922657 /nfs/dbraw/zinc/92/26/57/1067922657.db2.gz ZLDVAJLTOKAHSV-UHFFFAOYSA-N 0 0 450.516 4.552 20 5 JJBDRN COc1cc(CNCc2noc3c2CC(C)(C)CC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461730461 1067926932 /nfs/dbraw/zinc/92/69/32/1067926932.db2.gz OMHNVJURDLRIEF-UHFFFAOYSA-N 0 0 451.523 4.975 20 5 JJBDRN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001461791007 1067937522 /nfs/dbraw/zinc/93/75/22/1067937522.db2.gz CEPIPYBSCIHWHK-OFVILXPXSA-N 0 0 453.539 4.837 20 5 JJBDRN COc1c(O)ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001461897530 1067957161 /nfs/dbraw/zinc/95/71/61/1067957161.db2.gz IRDRXVUVENYVOY-MRXNPFEDSA-N 0 0 454.310 4.609 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001461936623 1067964496 /nfs/dbraw/zinc/96/44/96/1067964496.db2.gz CMKQQPRYUIOQPX-UHFFFAOYSA-N 0 0 458.278 4.694 20 5 JJBDRN O=C(CCCc1nc(-c2ccc(F)cc2)no1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001461949240 1067967210 /nfs/dbraw/zinc/96/72/10/1067967210.db2.gz QXMOPNCEFVZYHQ-SFHVURJKSA-N 0 0 453.348 4.953 20 5 JJBDRN COC(=O)COc1ccc(CNc2ccc(OCc3cccc(F)c3)c(F)c2)cc1[N+](=O)[O-] ZINC001462077285 1067997386 /nfs/dbraw/zinc/99/73/86/1067997386.db2.gz ZQCIUDPYOBQTNA-UHFFFAOYSA-N 0 0 458.417 4.616 20 5 JJBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001462106218 1068004179 /nfs/dbraw/zinc/00/41/79/1068004179.db2.gz TYYZIQQOQFPJJR-QAPCUYQASA-N 0 0 458.356 4.976 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001462145241 1068014586 /nfs/dbraw/zinc/01/45/86/1068014586.db2.gz JQHFNQMJYYPDNT-VQTJNVASSA-N 0 0 450.495 4.569 20 5 JJBDRN Cc1cc(I)cc(NCc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC001462209838 1068029253 /nfs/dbraw/zinc/02/92/53/1068029253.db2.gz INADXLXLCPFPES-UHFFFAOYSA-N 0 0 453.099 4.944 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001546130732 1068048250 /nfs/dbraw/zinc/04/82/50/1068048250.db2.gz AXNIITLSZKDYQS-UHFFFAOYSA-N 0 0 470.574 4.537 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@H](c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC001462393059 1068064644 /nfs/dbraw/zinc/06/46/44/1068064644.db2.gz YCTBNDANBQCUBW-AWEZNQCLSA-N 0 0 450.438 4.623 20 5 JJBDRN COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC001462402699 1068066660 /nfs/dbraw/zinc/06/66/60/1068066660.db2.gz KHZIQPTUUBYACA-UHFFFAOYSA-N 0 0 458.268 4.592 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001462406775 1068066965 /nfs/dbraw/zinc/06/69/65/1068066965.db2.gz JBQAJNKONMKUGW-QGZVFWFLSA-N 0 0 454.504 4.728 20 5 JJBDRN COc1cc(C(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1F ZINC001462408444 1068067399 /nfs/dbraw/zinc/06/73/99/1068067399.db2.gz BCOUNXCLXIDZDR-IBGZPJMESA-N 0 0 459.474 4.747 20 5 JJBDRN COc1ccc(-c2cncc(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])c2)c(C)c1 ZINC001462495577 1068084866 /nfs/dbraw/zinc/08/48/66/1068084866.db2.gz MMICRJBCGNNSIT-UHFFFAOYSA-N 0 0 456.296 4.666 20 5 JJBDRN COc1cccc2c1OCCC[C@H]2NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001462536677 1068093519 /nfs/dbraw/zinc/09/35/19/1068093519.db2.gz WOPLIYMWCJNPAH-FUHIMQAGSA-N 0 0 453.539 4.729 20 5 JJBDRN CCCCN1C(=O)CC[C@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1OC ZINC001462583809 1068104049 /nfs/dbraw/zinc/10/40/49/1068104049.db2.gz VHHKPSFDQQTKPJ-VWQFJMCTSA-N 0 0 453.539 4.561 20 5 JJBDRN O=C(NCC1(c2ccc(Br)cc2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001462634950 1068119531 /nfs/dbraw/zinc/11/95/31/1068119531.db2.gz RDOZXCIVRHEENM-UHFFFAOYSA-N 0 0 452.308 4.881 20 5 JJBDRN CC[C@H](C)c1ccccc1OS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC001462688605 1068132004 /nfs/dbraw/zinc/13/20/04/1068132004.db2.gz VJKBDCKEJOWJRY-NSHDSACASA-N 0 0 458.330 4.956 20 5 JJBDRN COc1cc(OCC(=O)N2C[C@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)ccc1[N+](=O)[O-] ZINC001462712709 1068139388 /nfs/dbraw/zinc/13/93/88/1068139388.db2.gz VHQAJVJLSYLHNR-LLVKDONJSA-N 0 0 458.820 4.880 20 5 JJBDRN CCOC(=O)c1cc(S(=O)(=O)Oc2cccc(Oc3ccccc3)c2)cc([N+](=O)[O-])c1C ZINC001462713656 1068140077 /nfs/dbraw/zinc/14/00/77/1068140077.db2.gz FXTSHEYEVMJRGV-UHFFFAOYSA-N 0 0 457.460 4.640 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001462722460 1068142775 /nfs/dbraw/zinc/14/27/75/1068142775.db2.gz ISDRAZVOHREUHP-HZPDHXFCSA-N 0 0 451.589 4.718 20 5 JJBDRN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001462735931 1068148935 /nfs/dbraw/zinc/14/89/35/1068148935.db2.gz QRVCQPALPVVSPH-SFHVURJKSA-N 0 0 456.564 4.842 20 5 JJBDRN CCOc1ccc([C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C(C)C)cc1OCC ZINC001462749870 1068154461 /nfs/dbraw/zinc/15/44/61/1068154461.db2.gz AITQPRBWLFXQFO-QFIPXVFZSA-N 0 0 450.557 4.685 20 5 JJBDRN COc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC001462844239 1068187461 /nfs/dbraw/zinc/18/74/61/1068187461.db2.gz AVOSDPLKMPFNGL-ZDUSSCGKSA-N 0 0 454.932 4.618 20 5 JJBDRN O=C(N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cc(F)c([N+](=O)[O-])cc1F ZINC001462849559 1068190069 /nfs/dbraw/zinc/19/00/69/1068190069.db2.gz HYXFSUNUPBXUGU-OAHLLOKOSA-N 0 0 453.239 4.812 20 5 JJBDRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001462852000 1068190494 /nfs/dbraw/zinc/19/04/94/1068190494.db2.gz VFJQCZPOIUXBAW-OAHLLOKOSA-N 0 0 455.374 4.703 20 5 JJBDRN CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3cc(F)c(C)cc3[N+](=O)[O-])ccc21 ZINC001462853225 1068191593 /nfs/dbraw/zinc/19/15/93/1068191593.db2.gz ISELBSMGRPIPDR-UHFFFAOYSA-N 0 0 455.511 4.991 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCCC2)c(Cl)c1 ZINC001462856960 1068192991 /nfs/dbraw/zinc/19/29/91/1068192991.db2.gz AREDCAMLHGACAN-UHFFFAOYSA-N 0 0 459.749 4.759 20 5 JJBDRN Cc1c(OS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC001462873756 1068198456 /nfs/dbraw/zinc/19/84/56/1068198456.db2.gz UNKZMSOFRGSPAC-UHFFFAOYSA-N 0 0 455.311 4.557 20 5 JJBDRN COc1c(F)cc(S(=O)(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001462895447 1068206343 /nfs/dbraw/zinc/20/63/43/1068206343.db2.gz KKAHZASVWVNJDI-KRWDZBQOSA-N 0 0 456.904 4.525 20 5 JJBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC001462898400 1068208223 /nfs/dbraw/zinc/20/82/23/1068208223.db2.gz XJMHRYCMFPEEQR-IBGZPJMESA-N 0 0 459.936 4.926 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2cccc3ccccc32)c(C)c1[N+](=O)[O-] ZINC001462900661 1068208844 /nfs/dbraw/zinc/20/88/44/1068208844.db2.gz LSTDQPANAVRBLD-IBGZPJMESA-N 0 0 455.492 4.799 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] ZINC001462920530 1068214779 /nfs/dbraw/zinc/21/47/79/1068214779.db2.gz LHLJFXSJUDFHIM-UHFFFAOYSA-N 0 0 457.321 4.553 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC001462954160 1068227528 /nfs/dbraw/zinc/22/75/28/1068227528.db2.gz QDYWVSKGUQIYLA-SFHVURJKSA-N 0 0 457.483 4.670 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)ccc1Br ZINC001462957552 1068229667 /nfs/dbraw/zinc/22/96/67/1068229667.db2.gz AISVHXFNABZNLN-GOSISDBHSA-N 0 0 457.321 4.706 20 5 JJBDRN CC(C)(C(=O)NCc1ccc(Br)c(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001463015588 1068252683 /nfs/dbraw/zinc/25/26/83/1068252683.db2.gz CMIJJSGLTHSUNI-UHFFFAOYSA-N 0 0 456.134 4.714 20 5 JJBDRN NC(=O)c1cc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)ccc1[N+](=O)[O-] ZINC001463025669 1068255726 /nfs/dbraw/zinc/25/57/26/1068255726.db2.gz LMJCBAGEZZSWSD-UHFFFAOYSA-N 0 0 451.382 4.573 20 5 JJBDRN CCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(OC)cc1 ZINC001463038638 1068260098 /nfs/dbraw/zinc/26/00/98/1068260098.db2.gz HKMBNVBBSCFNNA-KRWDZBQOSA-N 0 0 457.346 4.576 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC001463046380 1068263698 /nfs/dbraw/zinc/26/36/98/1068263698.db2.gz HFJCEHGDKXDTBL-JOCHJYFZSA-N 0 0 458.923 4.641 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001463065523 1068273518 /nfs/dbraw/zinc/27/35/18/1068273518.db2.gz LPLJBWHVTZNMHF-RNODOKPDSA-N 0 0 457.449 4.523 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cc1 ZINC001463167469 1068308331 /nfs/dbraw/zinc/30/83/31/1068308331.db2.gz RRZXGGDVCSGXBM-UHFFFAOYSA-N 0 0 453.358 4.538 20 5 JJBDRN CC[C@@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001463193583 1068315933 /nfs/dbraw/zinc/31/59/33/1068315933.db2.gz LHKZTCVEUKVNGM-INIZCTEOSA-N 0 0 455.374 4.616 20 5 JJBDRN CC[C@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001463193584 1068316011 /nfs/dbraw/zinc/31/60/11/1068316011.db2.gz LHKZTCVEUKVNGM-MRXNPFEDSA-N 0 0 455.374 4.616 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC001463195515 1068316587 /nfs/dbraw/zinc/31/65/87/1068316587.db2.gz RHPRZFVLVUESBU-UHFFFAOYSA-N 0 0 454.838 4.797 20 5 JJBDRN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001463293071 1068347126 /nfs/dbraw/zinc/34/71/26/1068347126.db2.gz JMHBVVISAKHZOZ-UHFFFAOYSA-N 0 0 459.749 4.672 20 5 JJBDRN Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC001463299952 1068349654 /nfs/dbraw/zinc/34/96/54/1068349654.db2.gz ZZYNPSPZCWSAMU-OAQYLSRUSA-N 0 0 454.548 4.927 20 5 JJBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[C@H](C)c1ccccc1C(F)(F)F ZINC001463363251 1068372448 /nfs/dbraw/zinc/37/24/48/1068372448.db2.gz WQPQYKJDPNSZHK-QWHCGFSZSA-N 0 0 453.442 4.632 20 5 JJBDRN C[S@@](=O)(=NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1F ZINC001463371790 1068375225 /nfs/dbraw/zinc/37/52/25/1068375225.db2.gz VFRSHKZXMWPNHF-LJAQVGFWSA-N 0 0 457.270 4.524 20 5 JJBDRN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001463391028 1068382003 /nfs/dbraw/zinc/38/20/03/1068382003.db2.gz DWCCWOVXYMXKHP-BJKOFHAPSA-N 0 0 452.532 4.664 20 5 JJBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC001463435870 1068396663 /nfs/dbraw/zinc/39/66/63/1068396663.db2.gz OOLCRNJDCZNPCF-HNNXBMFYSA-N 0 0 452.863 4.703 20 5 JJBDRN COc1cc(C(=O)N2c3ccc(Cl)cc3C[C@H]2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001463473188 1068413682 /nfs/dbraw/zinc/41/36/82/1068413682.db2.gz KERCJOGYPMKFLR-GFCCVEGCSA-N 0 0 459.911 4.884 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001463505207 1068421974 /nfs/dbraw/zinc/42/19/74/1068421974.db2.gz NZLVLKIXSSDCKU-HNNXBMFYSA-N 0 0 456.364 4.758 20 5 JJBDRN Cc1cc(S(=O)(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001463514553 1068425329 /nfs/dbraw/zinc/42/53/29/1068425329.db2.gz RYUQBKKSHSVLLI-GOSISDBHSA-N 0 0 459.337 4.655 20 5 JJBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Oc1cc(Cl)c(Br)cc1Cl ZINC001463518484 1068426611 /nfs/dbraw/zinc/42/66/11/1068426611.db2.gz JGLCAAKZKURHDJ-UHFFFAOYSA-N 0 0 455.113 4.615 20 5 JJBDRN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001463533431 1068431003 /nfs/dbraw/zinc/43/10/03/1068431003.db2.gz YCCJXBWIBGFSIH-JTQLQIEISA-N 0 0 456.364 4.714 20 5 JJBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2N1Cc1ccccc1 ZINC001463533973 1068431394 /nfs/dbraw/zinc/43/13/94/1068431394.db2.gz CIKFXXNPYHRSFY-MRXNPFEDSA-N 0 0 457.939 4.852 20 5 JJBDRN Cc1csc(-c2ccc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3Br)cc2)n1 ZINC001463544261 1068436027 /nfs/dbraw/zinc/43/60/27/1068436027.db2.gz SXTHUIKWIOFEBJ-UHFFFAOYSA-N 0 0 455.311 4.557 20 5 JJBDRN Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] ZINC001463565034 1068446438 /nfs/dbraw/zinc/44/64/38/1068446438.db2.gz PTGRPEZRNMTHJJ-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(F)c(Br)cc1Cl ZINC001463600641 1068460968 /nfs/dbraw/zinc/46/09/68/1068460968.db2.gz RXZXUTIMMDOWTJ-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c(C)c1[N+](=O)[O-] ZINC001463642126 1068478326 /nfs/dbraw/zinc/47/83/26/1068478326.db2.gz MAHGIIGRUWKGPO-LJQANCHMSA-N 0 0 458.515 4.657 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC001463639959 1068478376 /nfs/dbraw/zinc/47/83/76/1068478376.db2.gz KFSXDXBBJYYRGZ-UHFFFAOYSA-N 0 0 452.838 4.669 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1F ZINC001463654971 1068482979 /nfs/dbraw/zinc/48/29/79/1068482979.db2.gz JGZMZJRHMQLYKG-UHFFFAOYSA-N 0 0 451.473 4.729 20 5 JJBDRN Cc1cc(OS(=O)(=O)c2cc(Cl)c(Br)cc2F)c(Cl)cc1[N+](=O)[O-] ZINC001463676772 1068490446 /nfs/dbraw/zinc/49/04/46/1068490446.db2.gz GAMCJGJAKMYPMZ-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463724911 1068505418 /nfs/dbraw/zinc/50/54/18/1068505418.db2.gz DRPYYOBEVQJTAI-LBPRGKRZSA-N 0 0 457.836 4.704 20 5 JJBDRN Cc1nc(-c2cccs2)sc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463727380 1068505860 /nfs/dbraw/zinc/50/58/60/1068505860.db2.gz IHJFRDWRAARDBN-UHFFFAOYSA-N 0 0 456.471 4.949 20 5 JJBDRN Cc1ccc(Br)nc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001463743185 1068509902 /nfs/dbraw/zinc/50/99/02/1068509902.db2.gz UBHLIXVAFUHTAU-UHFFFAOYSA-N 0 0 456.252 4.532 20 5 JJBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(Nc2nccs2)c1)c1ccccc1[N+](=O)[O-] ZINC001463781340 1068522545 /nfs/dbraw/zinc/52/25/45/1068522545.db2.gz BXYIYPOMCLHDSN-GOSISDBHSA-N 0 0 454.508 4.608 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC001463819828 1068535700 /nfs/dbraw/zinc/53/57/00/1068535700.db2.gz KSTVTDDWZPDLHA-UHFFFAOYSA-N 0 0 454.220 4.706 20 5 JJBDRN CCCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001463822437 1068535713 /nfs/dbraw/zinc/53/57/13/1068535713.db2.gz OMPLSWJOKNDRBA-UHFFFAOYSA-N 0 0 450.694 4.567 20 5 JJBDRN COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1OC1CCCC1 ZINC001463857340 1068548866 /nfs/dbraw/zinc/54/88/66/1068548866.db2.gz AKPWWQJOEOMPLL-UHFFFAOYSA-N 0 0 450.289 4.522 20 5 JJBDRN NC(=O)Nc1ccc(CNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 ZINC001463868478 1068551393 /nfs/dbraw/zinc/55/13/93/1068551393.db2.gz FDFSGMWVOIVCMW-UHFFFAOYSA-N 0 0 456.911 4.820 20 5 JJBDRN CCN(CCc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC001463933176 1068569709 /nfs/dbraw/zinc/56/97/09/1068569709.db2.gz DCEWRSXOGBIFMG-UHFFFAOYSA-N 0 0 450.866 4.829 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Oc2cnc3c(cccc3C(F)(F)F)c2)cc1Cl ZINC001463999025 1068584255 /nfs/dbraw/zinc/58/42/55/1068584255.db2.gz XQWONUSNZZQNEX-UHFFFAOYSA-N 0 0 450.753 4.722 20 5 JJBDRN O=[N+]([O-])c1cc(OS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc([N+](=O)[O-])c1 ZINC001464064043 1068603397 /nfs/dbraw/zinc/60/33/97/1068603397.db2.gz ZKTBURUKDMTLBB-UHFFFAOYSA-N 0 0 450.812 4.716 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2[N+](=O)[O-])C1 ZINC001464126684 1068625020 /nfs/dbraw/zinc/62/50/20/1068625020.db2.gz ADIHXUUMVORNAG-QZTJIDSGSA-N 0 0 452.555 4.724 20 5 JJBDRN CCN(CC)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccsc1 ZINC001464138079 1068629896 /nfs/dbraw/zinc/62/98/96/1068629896.db2.gz CHTVUECGJGHIHS-NRFANRHFSA-N 0 0 455.530 4.834 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001464138146 1068630612 /nfs/dbraw/zinc/63/06/12/1068630612.db2.gz QIBFLGXXRPIBNI-LJQANCHMSA-N 0 0 452.338 4.624 20 5 JJBDRN CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cn1 ZINC001464199137 1068653519 /nfs/dbraw/zinc/65/35/19/1068653519.db2.gz JTNMHFGVZIOUMS-UHFFFAOYSA-N 0 0 450.495 4.567 20 5 JJBDRN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)sc2C1 ZINC001546145271 1068655029 /nfs/dbraw/zinc/65/50/29/1068655029.db2.gz HBNLIXKYQHJDRK-LLVKDONJSA-N 0 0 458.569 4.724 20 5 JJBDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001464224466 1068665082 /nfs/dbraw/zinc/66/50/82/1068665082.db2.gz XVSZJYVOBYQBRO-UHFFFAOYSA-N 0 0 456.458 4.721 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001464292053 1068694278 /nfs/dbraw/zinc/69/42/78/1068694278.db2.gz SKSKGUBVPVYWMK-RXVVDRJESA-N 0 0 454.548 4.802 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001464293613 1068694797 /nfs/dbraw/zinc/69/47/97/1068694797.db2.gz FFKWKKWTTLJRRC-INIZCTEOSA-N 0 0 458.458 4.579 20 5 JJBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001464319888 1068704200 /nfs/dbraw/zinc/70/42/00/1068704200.db2.gz UPQBONWNCSKIKX-GOSISDBHSA-N 0 0 459.275 4.659 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC001464337197 1068711285 /nfs/dbraw/zinc/71/12/85/1068711285.db2.gz ASROKAXPIVPEPC-KRWDZBQOSA-N 0 0 454.239 4.624 20 5 JJBDRN CCC1CCC(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC001464371326 1068721733 /nfs/dbraw/zinc/72/17/33/1068721733.db2.gz JVAVUDHOKPYLFO-UHFFFAOYSA-N 0 0 459.568 4.650 20 5 JJBDRN COc1cc(C(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1F ZINC001464459601 1068754440 /nfs/dbraw/zinc/75/44/40/1068754440.db2.gz BNDSQDVLFIFVCS-UHFFFAOYSA-N 0 0 458.465 4.757 20 5 JJBDRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001464463415 1068755889 /nfs/dbraw/zinc/75/58/89/1068755889.db2.gz HZRKQGGLELYYFO-IBGZPJMESA-N 0 0 459.344 4.628 20 5 JJBDRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2Cl)n1 ZINC001464484165 1068763133 /nfs/dbraw/zinc/76/31/33/1068763133.db2.gz GTZJMVAKSLSIPK-HNNXBMFYSA-N 0 0 455.902 4.822 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC001464610891 1068798618 /nfs/dbraw/zinc/79/86/18/1068798618.db2.gz AGSSFNYHGKAUHY-INIZCTEOSA-N 0 0 459.218 4.590 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cnc2cccc(Br)c2c1 ZINC001464644549 1068809428 /nfs/dbraw/zinc/80/94/28/1068809428.db2.gz WZDDLCHUTKVXSV-UHFFFAOYSA-N 0 0 457.689 4.635 20 5 JJBDRN C[C@]1(Cc2ccc(Cl)s2)CCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001464700086 1068829275 /nfs/dbraw/zinc/82/92/75/1068829275.db2.gz VQCCHCXPPWPHJD-MRXNPFEDSA-N 0 0 453.344 4.888 20 5 JJBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]12 ZINC001164407552 718849900 /nfs/dbraw/zinc/84/99/00/718849900.db2.gz PVZSHAIQTSRGSR-CVEARBPZSA-N 0 0 456.836 4.666 20 5 JJBDRN Cc1ccc(-c2nc3sccc3c(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)n2)cc1[N+](=O)[O-] ZINC001164650503 719314972 /nfs/dbraw/zinc/31/49/72/719314972.db2.gz FRBBNMLEUPBXQW-UHFFFAOYSA-N 0 0 491.621 4.977 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164662992 719348482 /nfs/dbraw/zinc/34/84/82/719348482.db2.gz BUGGZNHIMYUECS-UHFFFAOYSA-N 0 0 487.391 4.991 20 5 JJBDRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1Cc1cccnc1 ZINC001164690580 719777444 /nfs/dbraw/zinc/77/74/44/719777444.db2.gz FEXISDMLKXEADY-NHCUHLMSSA-N 0 0 499.905 4.630 20 5 JJBDRN CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164712753 720067197 /nfs/dbraw/zinc/06/71/97/720067197.db2.gz MBGUAMILARMQHZ-GUDVDZBRSA-N 0 0 453.873 4.628 20 5 JJBDRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2)N1CC=CC1 ZINC001164776246 721327587 /nfs/dbraw/zinc/32/75/87/721327587.db2.gz DHXCZTLCFFKZCZ-UHFFFAOYSA-N 0 0 468.932 4.753 20 5 JJBDRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccsc1 ZINC001164882806 721360132 /nfs/dbraw/zinc/36/01/32/721360132.db2.gz LHEURPSJNDJTQR-MSOLQXFVSA-N 0 0 491.907 4.696 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164788852 721410670 /nfs/dbraw/zinc/41/06/70/721410670.db2.gz SDRTXFXOPSGSSN-ZIAGYGMSSA-N 0 0 475.933 4.599 20 5 JJBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@@H]21 ZINC001164887629 721467993 /nfs/dbraw/zinc/46/79/93/721467993.db2.gz DHECMVMBZHHILD-JXFKEZNVSA-N 0 0 478.927 4.938 20 5 JJBDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@H]21 ZINC001164887630 721468020 /nfs/dbraw/zinc/46/80/20/721468020.db2.gz DHECMVMBZHHILD-OXJNMPFZSA-N 0 0 478.927 4.938 20 5 JJBDRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C3)c1 ZINC001164798366 721600924 /nfs/dbraw/zinc/60/09/24/721600924.db2.gz FBVJKIWNQSRTPA-UZLBHIALSA-N 0 0 452.889 4.715 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C[C@@H]2c1ccccc1 ZINC001164909085 721740906 /nfs/dbraw/zinc/74/09/06/721740906.db2.gz AVPUCQNBNJHFOG-WZONZLPQSA-N 0 0 499.905 4.610 20 5 JJBDRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc32)CC1 ZINC001164918772 721819225 /nfs/dbraw/zinc/81/92/25/721819225.db2.gz UWVNENYKDFXWFE-UHFFFAOYSA-N 0 0 489.605 4.521 20 5 JJBDRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)c2ccccc21 ZINC001164999431 722220584 /nfs/dbraw/zinc/22/05/84/722220584.db2.gz QZFMNMRVXNHLLE-UHFFFAOYSA-N 0 0 488.922 4.650 20 5 JJBDRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001165000390 722220877 /nfs/dbraw/zinc/22/08/77/722220877.db2.gz XDKBAXZGEBYCOY-IBGZPJMESA-N 0 0 476.911 4.768 20 5 JJBDRN CC(C)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOc2ccc(Cl)cn2)C1 ZINC001359729367 1064279723 /nfs/dbraw/zinc/27/97/23/1064279723.db2.gz YGURFHBSLOOXCA-SFHVURJKSA-N 0 0 470.961 4.853 20 5 JJBDRN O=C(Nc1nc2c(s1)CCCCCC2)c1cc(I)cc([N+](=O)[O-])c1 ZINC001434872537 1064308568 /nfs/dbraw/zinc/30/85/68/1064308568.db2.gz HENHMTAYLUJHGH-UHFFFAOYSA-N 0 0 457.293 4.567 20 5 JJBDRN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001434906119 1064333282 /nfs/dbraw/zinc/33/32/82/1064333282.db2.gz SAGJFDVHEATNDK-UHFFFAOYSA-N 0 0 452.330 4.652 20 5 JJBDRN CCCC[C@H](NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434949721 1064370346 /nfs/dbraw/zinc/37/03/46/1064370346.db2.gz NMNWJCGSCCLKLS-NRFANRHFSA-N 0 0 452.555 4.739 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CCOCC1 ZINC001359762796 1064376599 /nfs/dbraw/zinc/37/65/99/1064376599.db2.gz ZFWWAJFYSWQRER-GGAORHGYSA-N 0 0 471.602 4.557 20 5 JJBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001434976555 1064392112 /nfs/dbraw/zinc/39/21/12/1064392112.db2.gz VCFLOXDNAJQWJG-GOSISDBHSA-N 0 0 459.713 4.860 20 5 JJBDRN CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc2ccccc2[nH]1 ZINC001435007278 1064422861 /nfs/dbraw/zinc/42/28/61/1064422861.db2.gz DVESQOOIEDHCTF-CQSZACIVSA-N 0 0 459.293 4.845 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)n1 ZINC001435019588 1064436084 /nfs/dbraw/zinc/43/60/84/1064436084.db2.gz UHMLMJKRYNALCA-UHFFFAOYSA-N 0 0 455.396 4.967 20 5 JJBDRN CC(C)Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@]1(C)OCCc2sccc21 ZINC001359784806 1064437790 /nfs/dbraw/zinc/43/77/90/1064437790.db2.gz OOWNHLURKZCJBV-XMMPIXPASA-N 0 0 469.611 4.613 20 5 JJBDRN CC(C)Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001359786837 1064440727 /nfs/dbraw/zinc/44/07/27/1064440727.db2.gz KUHFOUONZIZHBW-RUZDIDTESA-N 0 0 455.603 4.885 20 5 JJBDRN COc1cc(Br)c(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC ZINC001435034292 1064450950 /nfs/dbraw/zinc/45/09/50/1064450950.db2.gz DBYWQISHFBVFCS-UHFFFAOYSA-N 0 0 451.317 4.602 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC001435040392 1064457218 /nfs/dbraw/zinc/45/72/18/1064457218.db2.gz VNOPQNWVKDCDKM-UHFFFAOYSA-N 0 0 453.280 4.605 20 5 JJBDRN COc1ccc(-c2nnc(SCC(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)o2)cc1 ZINC001435045736 1064462036 /nfs/dbraw/zinc/46/20/36/1064462036.db2.gz QMARPWQUMIXVKK-UHFFFAOYSA-N 0 0 454.508 4.721 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001359858184 1064545158 /nfs/dbraw/zinc/54/51/58/1064545158.db2.gz JBIPUBSFVCRHTQ-QHCPKHFHSA-N 0 0 454.477 4.894 20 5 JJBDRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001435146487 1064547035 /nfs/dbraw/zinc/54/70/35/1064547035.db2.gz BFJPTZYKUPQYJF-LLVKDONJSA-N 0 0 458.683 4.556 20 5 JJBDRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001435146490 1064547128 /nfs/dbraw/zinc/54/71/28/1064547128.db2.gz BFJPTZYKUPQYJF-NSHDSACASA-N 0 0 458.683 4.556 20 5 JJBDRN COc1cc(C(=O)NC2(c3nccs3)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435157671 1064554647 /nfs/dbraw/zinc/55/46/47/1064554647.db2.gz NLRSIFIDHCQNSG-UHFFFAOYSA-N 0 0 453.520 4.838 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC001435159924 1064555860 /nfs/dbraw/zinc/55/58/60/1064555860.db2.gz BZOJFGZXZZBRSQ-UHFFFAOYSA-N 0 0 450.834 4.572 20 5 JJBDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001359889776 1064588456 /nfs/dbraw/zinc/58/84/56/1064588456.db2.gz PVWUMWWBQSKCJP-BWKNWUBXSA-N 0 0 473.618 4.824 20 5 JJBDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001359889778 1064588504 /nfs/dbraw/zinc/58/85/04/1064588504.db2.gz PVWUMWWBQSKCJP-PXDATVDWSA-N 0 0 473.618 4.824 20 5 JJBDRN Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001435206683 1064591981 /nfs/dbraw/zinc/59/19/81/1064591981.db2.gz HCYDRTADNXZBCQ-UHFFFAOYSA-N 0 0 453.808 4.776 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC001435207856 1064592749 /nfs/dbraw/zinc/59/27/49/1064592749.db2.gz NKQFYNIKRCCJKT-UHFFFAOYSA-N 0 0 451.866 4.725 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cnc(Cc2ccccc2F)s1 ZINC001435221282 1064601248 /nfs/dbraw/zinc/60/12/48/1064601248.db2.gz OQVKKFPDPILSIW-UHFFFAOYSA-N 0 0 451.273 4.901 20 5 JJBDRN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)Cc1cccc(Br)c1 ZINC001435220944 1064601312 /nfs/dbraw/zinc/60/13/12/1064601312.db2.gz IEZGPMWLQKGTFX-CYBMUJFWSA-N 0 0 452.324 4.561 20 5 JJBDRN COc1ccc(CC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001435222573 1064603120 /nfs/dbraw/zinc/60/31/20/1064603120.db2.gz WJOYZQYLFHCKSS-UHFFFAOYSA-N 0 0 452.307 4.745 20 5 JJBDRN Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001435230729 1064609807 /nfs/dbraw/zinc/60/98/07/1064609807.db2.gz KETCEONNMJNAER-OAHLLOKOSA-N 0 0 458.877 4.649 20 5 JJBDRN Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001435230724 1064609897 /nfs/dbraw/zinc/60/98/97/1064609897.db2.gz KETCEONNMJNAER-HNNXBMFYSA-N 0 0 458.877 4.649 20 5 JJBDRN CC(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001359902439 1064614045 /nfs/dbraw/zinc/61/40/45/1064614045.db2.gz NWCLEOZDIUQABG-HSZRJFAPSA-N 0 0 471.602 4.844 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c2ccccc2Cl)cc1 ZINC001435242747 1064621214 /nfs/dbraw/zinc/62/12/14/1064621214.db2.gz WUPOTLBBVRYGHY-QFIPXVFZSA-N 0 0 457.889 4.981 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001435251505 1064628302 /nfs/dbraw/zinc/62/83/02/1064628302.db2.gz CMPOLNDHTVVEEL-XMSQKQJNSA-N 0 0 457.596 4.506 20 5 JJBDRN CC(C)CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001359914300 1064633957 /nfs/dbraw/zinc/63/39/57/1064633957.db2.gz GBVKVYVRZTYXTQ-UHFFFAOYSA-N 0 0 478.475 4.828 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001435273112 1064651412 /nfs/dbraw/zinc/65/14/12/1064651412.db2.gz AXCFPWWHEWAGKA-CYBMUJFWSA-N 0 0 456.446 4.720 20 5 JJBDRN CC(C)CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)c1ccsc1)C1CC1 ZINC001359923724 1064653687 /nfs/dbraw/zinc/65/36/87/1064653687.db2.gz UDCFNCYZHGMSIS-QHCPKHFHSA-N 0 0 455.584 4.837 20 5 JJBDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 ZINC001435293323 1064669758 /nfs/dbraw/zinc/66/97/58/1064669758.db2.gz TYCRDPSQYKBFLO-UHFFFAOYSA-N 0 0 458.467 4.881 20 5 JJBDRN CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001435298467 1064674509 /nfs/dbraw/zinc/67/45/09/1064674509.db2.gz WLCPYQXMQITOFT-UHFFFAOYSA-N 0 0 452.429 4.841 20 5 JJBDRN CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001359941675 1064686730 /nfs/dbraw/zinc/68/67/30/1064686730.db2.gz WCGMOHAKPDUBAW-UHFFFAOYSA-N 0 0 457.966 4.515 20 5 JJBDRN Cc1cc2c(c(F)c1)C[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N2C(=O)OC(C)(C)C ZINC001435325311 1064698009 /nfs/dbraw/zinc/69/80/09/1064698009.db2.gz UOVKNNREIWUBJS-YCRPNKLZSA-N 0 0 457.502 4.894 20 5 JJBDRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001435349503 1064716006 /nfs/dbraw/zinc/71/60/06/1064716006.db2.gz MXBKJAVASPLEQW-ZDUSSCGKSA-N 0 0 459.549 4.673 20 5 JJBDRN Cn1cc([C@@H]2C[C@H]2C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001435350080 1064716713 /nfs/dbraw/zinc/71/67/13/1064716713.db2.gz FSQHFFGGNDCRPZ-LSDHHAIUSA-N 0 0 475.288 4.597 20 5 JJBDRN O=C(CC[C@H]1CCOC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435351945 1064718259 /nfs/dbraw/zinc/71/82/59/1064718259.db2.gz MDZXWVXZMFEJSY-LBPRGKRZSA-N 0 0 453.278 4.876 20 5 JJBDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001435368252 1064727148 /nfs/dbraw/zinc/72/71/48/1064727148.db2.gz FXLDPUWGKXLBCW-FQEVSTJZSA-N 0 0 451.866 4.576 20 5 JJBDRN Cc1nc(NC(=O)CCCCCc2ccc(I)cc2)ccc1[N+](=O)[O-] ZINC001435384291 1064732874 /nfs/dbraw/zinc/73/28/74/1064732874.db2.gz GXFXZXCJMWYGQR-UHFFFAOYSA-N 0 0 453.280 4.644 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC001435384499 1064732889 /nfs/dbraw/zinc/73/28/89/1064732889.db2.gz HHZMDMHVYUZTOV-HNNXBMFYSA-N 0 0 458.902 4.695 20 5 JJBDRN O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001435389649 1064735434 /nfs/dbraw/zinc/73/54/34/1064735434.db2.gz COXHOTXWIJKZFA-KRWDZBQOSA-N 0 0 450.422 4.623 20 5 JJBDRN CC(C)Oc1cc(C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC001435464264 1064773241 /nfs/dbraw/zinc/77/32/41/1064773241.db2.gz FBBKJZCAJIFMFX-MRXNPFEDSA-N 0 0 457.527 4.898 20 5 JJBDRN CC(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001359994932 1064778742 /nfs/dbraw/zinc/77/87/42/1064778742.db2.gz MBRSDACQGODHOR-INIZCTEOSA-N 0 0 473.965 4.674 20 5 JJBDRN CO[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001435486222 1064785365 /nfs/dbraw/zinc/78/53/65/1064785365.db2.gz YBTCILXINYNYKN-NYHFZMIOSA-N 0 0 454.914 4.934 20 5 JJBDRN CO[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001435486223 1064785435 /nfs/dbraw/zinc/78/54/35/1064785435.db2.gz YBTCILXINYNYKN-OYHNWAKOSA-N 0 0 454.914 4.934 20 5 JJBDRN CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC(C(C)(C)C)C2)[C@@H](C)C1=O ZINC001360017057 1064816147 /nfs/dbraw/zinc/81/61/47/1064816147.db2.gz BRSFLMTXTYIHSW-OCDPCBSRSA-N 0 0 468.602 4.544 20 5 JJBDRN COc1ccc(OC(F)F)c(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC001435547020 1064822302 /nfs/dbraw/zinc/82/23/02/1064822302.db2.gz VDLGZXTUXYIQBG-UHFFFAOYSA-N 0 0 458.417 4.714 20 5 JJBDRN Cc1ccc(-n2nc(C(=O)Nc3ccc([N+](=O)[O-])c(Br)c3)c3c2CCCC3)cc1 ZINC001435563720 1064835931 /nfs/dbraw/zinc/83/59/31/1064835931.db2.gz LRQBNRYUGATPLF-UHFFFAOYSA-N 0 0 455.312 4.983 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001435567051 1064838015 /nfs/dbraw/zinc/83/80/15/1064838015.db2.gz RONDYKRCYGSJOR-RTWAWAEBSA-N 0 0 459.546 4.909 20 5 JJBDRN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001435575403 1064844200 /nfs/dbraw/zinc/84/42/00/1064844200.db2.gz VQHGPJHMKMKETM-UHFFFAOYSA-N 0 0 454.280 4.540 20 5 JJBDRN COC(=O)c1cc(C(=O)N(c2ccccc2)c2ncccc2Br)cc([N+](=O)[O-])c1 ZINC001435581027 1064847118 /nfs/dbraw/zinc/84/71/18/1064847118.db2.gz ZYPXZANXWUAZMV-UHFFFAOYSA-N 0 0 456.252 4.517 20 5 JJBDRN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001435588332 1064853806 /nfs/dbraw/zinc/85/38/06/1064853806.db2.gz WHOBONZASSPISU-QGZVFWFLSA-N 0 0 458.534 4.969 20 5 JJBDRN Cc1ccccc1[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001360043217 1064860117 /nfs/dbraw/zinc/86/01/17/1064860117.db2.gz FAXGBNLQIFNUGX-LPXYKDPNSA-N 0 0 455.580 4.778 20 5 JJBDRN Cc1ccccc1[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001360043222 1064860310 /nfs/dbraw/zinc/86/03/10/1064860310.db2.gz FAXGBNLQIFNUGX-WSZRMNBISA-N 0 0 455.580 4.778 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608085 1064871009 /nfs/dbraw/zinc/87/10/09/1064871009.db2.gz COXSBMUHSJCSGY-JLTOFOAXSA-N 0 0 452.429 4.669 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](OC1CCOCC1)c1ccccc1 ZINC001435608091 1064871756 /nfs/dbraw/zinc/87/17/56/1064871756.db2.gz COXSBMUHSJCSGY-XOBRGWDASA-N 0 0 452.429 4.669 20 5 JJBDRN CS[C@@H]1CCCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001435617825 1064880536 /nfs/dbraw/zinc/88/05/36/1064880536.db2.gz UFDYRYGIVWRQIP-JOCHJYFZSA-N 0 0 450.564 4.734 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001435624553 1064885702 /nfs/dbraw/zinc/88/57/02/1064885702.db2.gz ARQSMBNMKHUZOY-QFIPXVFZSA-N 0 0 451.523 4.968 20 5 JJBDRN COc1ccc(CSCC(=O)N(C)[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001435628710 1064890405 /nfs/dbraw/zinc/89/04/05/1064890405.db2.gz JDXIRRDWJDFXEH-ZDUSSCGKSA-N 0 0 453.358 4.819 20 5 JJBDRN O=C(Oc1cccc(F)c1I)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001435634992 1064896736 /nfs/dbraw/zinc/89/67/36/1064896736.db2.gz QBICEWBJNZYVON-UHFFFAOYSA-N 0 0 455.101 4.577 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001435639620 1064900348 /nfs/dbraw/zinc/90/03/48/1064900348.db2.gz NYQFKCOFSFRUHX-UHFFFAOYSA-N 0 0 453.426 4.726 20 5 JJBDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001435659404 1064914237 /nfs/dbraw/zinc/91/42/37/1064914237.db2.gz OWUIMYOMMIHDFP-OLZOCXBDSA-N 0 0 459.549 4.673 20 5 JJBDRN CC(C)CN(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435673384 1064926580 /nfs/dbraw/zinc/92/65/80/1064926580.db2.gz JURZCFDJYQUTDE-YCRPNKLZSA-N 0 0 453.520 4.936 20 5 JJBDRN CN(C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435674669 1064927091 /nfs/dbraw/zinc/92/70/91/1064927091.db2.gz RKURGMGOFXWWMC-RDTXWAMCSA-N 0 0 463.437 4.863 20 5 JJBDRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001435675133 1064927851 /nfs/dbraw/zinc/92/78/51/1064927851.db2.gz JZKZOGZVYBFJQW-GOSISDBHSA-N 0 0 451.445 4.510 20 5 JJBDRN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001360077098 1064929664 /nfs/dbraw/zinc/92/96/64/1064929664.db2.gz JVETZKSMKDUZAY-JOCHJYFZSA-N 0 0 488.658 4.534 20 5 JJBDRN 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HKRNNSHXYUWILO-UHFFFAOYSA-N 0 0 453.520 4.978 20 5 JJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2Br)c2cncc(C)c2)c1 ZINC001436014208 1065113013 /nfs/dbraw/zinc/11/30/13/1065113013.db2.gz SFFLUFPIKIEORR-UHFFFAOYSA-N 0 0 456.296 4.916 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c2ccc(OC)cc2OC)cc1 ZINC001360278063 1065118829 /nfs/dbraw/zinc/11/88/29/1065118829.db2.gz CCTINYQXBHSQLM-XMMPIXPASA-N 0 0 450.491 4.757 20 5 JJBDRN CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1C(N)=O ZINC001436022074 1065119401 /nfs/dbraw/zinc/11/94/01/1065119401.db2.gz MDURTHWSRHETDL-UHFFFAOYSA-N 0 0 451.504 4.884 20 5 JJBDRN COC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(C(F)(F)F)c1 ZINC001360289924 1065126739 /nfs/dbraw/zinc/12/67/39/1065126739.db2.gz YWILMVPRXHOFDJ-INIZCTEOSA-N 0 0 451.426 4.855 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001436082777 1065168961 /nfs/dbraw/zinc/16/89/61/1065168961.db2.gz BICAVISJEALNJZ-UHFFFAOYSA-N 0 0 456.442 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CC(C)Oc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C(C)(C)C)C2)cn1 ZINC001360354817 1065204301 /nfs/dbraw/zinc/20/43/01/1065204301.db2.gz XRNPHGIZYKSRFY-HXUWFJFHSA-N 0 0 464.570 4.956 20 5 JJBDRN Cn1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436132271 1065204853 /nfs/dbraw/zinc/20/48/53/1065204853.db2.gz ZLLGSGJTDIHYNP-UHFFFAOYSA-N 0 0 456.327 4.868 20 5 JJBDRN CCc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1cccc(Cl)c1 ZINC001436136882 1065208104 /nfs/dbraw/zinc/20/81/04/1065208104.db2.gz FVOVGBUBGKPWTA-UHFFFAOYSA-N 0 0 453.930 4.851 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001436146445 1065213251 /nfs/dbraw/zinc/21/32/51/1065213251.db2.gz ZRFCXOUHVFFJHW-HYBUGGRVSA-N 0 0 457.502 4.668 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)s2)cc1 ZINC001360384001 1065246945 /nfs/dbraw/zinc/24/69/45/1065246945.db2.gz KLBCBUQSIUBQSX-LBPRGKRZSA-N 0 0 456.480 4.743 20 5 JJBDRN 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C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(Cc4ccccc4)CCOCC3)cc2[N+](=O)[O-])C1 ZINC001436254343 1065275638 /nfs/dbraw/zinc/27/56/38/1065275638.db2.gz FSKKDJMNBUFVFN-BGYRXZFFSA-N 0 0 451.567 4.599 20 5 JJBDRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001360423447 1065291240 /nfs/dbraw/zinc/29/12/40/1065291240.db2.gz WAZKYKPTNXHXER-UHFFFAOYSA-N 0 0 452.389 4.666 20 5 JJBDRN CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC001360429555 1065304273 /nfs/dbraw/zinc/30/42/73/1065304273.db2.gz RNOHUGCGFXERMC-FCHUYYIVSA-N 0 0 452.488 4.533 20 5 JJBDRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1C ZINC001360435024 1065315274 /nfs/dbraw/zinc/31/52/74/1065315274.db2.gz XJLMFNYDSNJWRT-UHFFFAOYSA-N 0 0 451.227 4.597 20 5 JJBDRN CC(C)(C)Sc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)cc1F ZINC001436484129 1065331161 /nfs/dbraw/zinc/33/11/61/1065331161.db2.gz HVHMPUAVZKIZNK-UHFFFAOYSA-N 0 0 453.442 4.702 20 5 JJBDRN 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COc1cc(C(=O)N2CC[C@H](n3cc(C)cn3)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001436565552 1065366526 /nfs/dbraw/zinc/36/65/26/1065366526.db2.gz DBSFHMIXWLIMTH-KRWDZBQOSA-N 0 0 456.886 4.641 20 5 JJBDRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001436566362 1065367300 /nfs/dbraw/zinc/36/73/00/1065367300.db2.gz GRKNFZLWRJXKOY-FSSWDIPSSA-N 0 0 453.539 4.861 20 5 JJBDRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001436579763 1065378630 /nfs/dbraw/zinc/37/86/30/1065378630.db2.gz YIRJHSMCPRHOQI-GFCCVEGCSA-N 0 0 458.342 4.870 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccncc2OCCC(C)(C)C)CC1 ZINC001436592658 1065388176 /nfs/dbraw/zinc/38/81/76/1065388176.db2.gz VJUTUVLBWAFGMS-UHFFFAOYSA-N 0 0 454.571 4.971 20 5 JJBDRN CC1CCN(c2ccc(C(=O)NCc3ccncc3OCCC(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001436592109 1065388324 /nfs/dbraw/zinc/38/83/24/1065388324.db2.gz KYWIGVCYHRZTLU-UHFFFAOYSA-N 0 0 454.571 4.971 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001436594616 1065389496 /nfs/dbraw/zinc/38/94/96/1065389496.db2.gz FWDQMJCAPXZWQE-NRFANRHFSA-N 0 0 452.511 4.713 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CCN3C(=O)CC[C@]23c2ccccc2)cc1[N+](=O)[O-] ZINC001436625726 1065403097 /nfs/dbraw/zinc/40/30/97/1065403097.db2.gz XEWJOYMATKLILN-XMMPIXPASA-N 0 0 453.564 4.664 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CCN3C(=O)CC[C@@]23c2ccccc2)cc1[N+](=O)[O-] ZINC001436625723 1065403132 /nfs/dbraw/zinc/40/31/32/1065403132.db2.gz XEWJOYMATKLILN-DEOSSOPVSA-N 0 0 453.564 4.664 20 5 JJBDRN Cc1ccc(C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2ccccn2)cc1 ZINC001360485900 1065405604 /nfs/dbraw/zinc/40/56/04/1065405604.db2.gz QPDMZFBXXMUZTM-NRFANRHFSA-N 0 0 454.324 4.703 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC001436771621 1065438073 /nfs/dbraw/zinc/43/80/73/1065438073.db2.gz MYXYYTWCHABHKU-UHFFFAOYSA-N 0 0 457.270 4.652 20 5 JJBDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cnc(-c2ccccc2Cl)nc1 ZINC001436773837 1065439126 /nfs/dbraw/zinc/43/91/26/1065439126.db2.gz HDOALPONHLQGTL-INIZCTEOSA-N 0 0 454.767 4.878 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN(OCc1ccccc1)C(=O)OC(C)(C)C ZINC001436800561 1065442515 /nfs/dbraw/zinc/44/25/15/1065442515.db2.gz HVRCZXCUGIMEDQ-UHFFFAOYSA-N 0 0 457.527 4.782 20 5 JJBDRN CC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506434 1065443741 /nfs/dbraw/zinc/44/37/41/1065443741.db2.gz FTEBBUYKUVILFB-OALUTQOASA-N 0 0 459.930 4.900 20 5 JJBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(F)(F)CC1 ZINC001360514369 1065466093 /nfs/dbraw/zinc/46/60/93/1065466093.db2.gz SAWQUHRDUKTIEW-INIZCTEOSA-N 0 0 494.543 4.592 20 5 JJBDRN Nc1c(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)cc2ccccc2c1[N+](=O)[O-] ZINC001436893646 1065466094 /nfs/dbraw/zinc/46/60/94/1065466094.db2.gz YONBPGOFTVUBJS-MRXNPFEDSA-N 0 0 454.324 4.940 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2c1cccc2Br ZINC001436919715 1065471430 /nfs/dbraw/zinc/47/14/30/1065471430.db2.gz QPXRXFSCSPBSSA-UHFFFAOYSA-N 0 0 458.234 4.767 20 5 JJBDRN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001360540170 1065524386 /nfs/dbraw/zinc/52/43/86/1065524386.db2.gz ATSJKOBXCIWABH-CQSZACIVSA-N 0 0 469.958 4.798 20 5 JJBDRN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nccc(-c2sccc2Br)n1 ZINC001437298921 1065534023 /nfs/dbraw/zinc/53/40/23/1065534023.db2.gz QYHDJKRGASPFKL-UHFFFAOYSA-N 0 0 459.281 4.899 20 5 JJBDRN O=C(NCc1cccc(Oc2ccc(F)cc2)n1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001437421266 1065550271 /nfs/dbraw/zinc/55/02/71/1065550271.db2.gz SBJZKNJXHWKEHU-UHFFFAOYSA-N 0 0 450.470 4.842 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccnn1CC(F)F ZINC001360566725 1065557270 /nfs/dbraw/zinc/55/72/70/1065557270.db2.gz XNYDDVBHOFHWAL-UHFFFAOYSA-N 0 0 454.792 4.571 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NCc2ccc(-c3cccs3)cc2)cc1[N+](=O)[O-] ZINC001437485330 1065561219 /nfs/dbraw/zinc/56/12/19/1065561219.db2.gz ZTFXBQVZMVVGGA-UHFFFAOYSA-N 0 0 451.533 4.533 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1Br)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001437526647 1065567232 /nfs/dbraw/zinc/56/72/32/1065567232.db2.gz WBIZZLQVBYTEJA-UHFFFAOYSA-N 0 0 450.676 4.967 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001437552582 1065572552 /nfs/dbraw/zinc/57/25/52/1065572552.db2.gz QQBQFPKIPUXYCC-TZIWHRDSSA-N 0 0 457.502 4.565 20 5 JJBDRN CC[C@@H](CCc1ccccc1)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001437731584 1065597224 /nfs/dbraw/zinc/59/72/24/1065597224.db2.gz VOIMDKZCQOWDNH-NBGIEHNGSA-N 0 0 455.555 4.862 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(COC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC001360603336 1065627935 /nfs/dbraw/zinc/62/79/35/1065627935.db2.gz QSXRPYDFQNJGHB-QHCPKHFHSA-N 0 0 451.523 4.606 20 5 JJBDRN CCNc1ccc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC001437959635 1065636324 /nfs/dbraw/zinc/63/63/24/1065636324.db2.gz AVSLDHNPXPKECJ-MRXNPFEDSA-N 0 0 450.358 4.796 20 5 JJBDRN Cn1ccnc1C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001437967902 1065638910 /nfs/dbraw/zinc/63/89/10/1065638910.db2.gz NMJWHPWCRMNSKZ-QHCPKHFHSA-N 0 0 456.502 4.621 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)c(Br)cc3C2)c1 ZINC001438012313 1065648415 /nfs/dbraw/zinc/64/84/15/1065648415.db2.gz ZYZZVVHOXVNYGC-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN CN(C)C(=O)c1cc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])ccn1 ZINC001360631013 1065679749 /nfs/dbraw/zinc/67/97/49/1065679749.db2.gz FRHCZEFCYQZIJU-UHFFFAOYSA-N 0 0 456.911 4.749 20 5 JJBDRN C[C@@H](N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2=CCCCC2)CC1)C(F)(F)F ZINC001360632017 1065683182 /nfs/dbraw/zinc/68/31/82/1065683182.db2.gz GTPPUQUUMJJDOV-QGZVFWFLSA-N 0 0 478.519 4.817 20 5 JJBDRN O=C(Nc1cc(F)c(Cl)cc1I)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001438165943 1065684199 /nfs/dbraw/zinc/68/41/99/1065684199.db2.gz MJYHWHXREVVKHY-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN CCc1nc([C@H](C)NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cs1 ZINC001360639115 1065706294 /nfs/dbraw/zinc/70/62/94/1065706294.db2.gz BVEXCBKAXFMQIN-LBPRGKRZSA-N 0 0 456.490 4.726 20 5 JJBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(Br)c(F)c1F ZINC001438526093 1065728384 /nfs/dbraw/zinc/72/83/84/1065728384.db2.gz YKXKLHKZQZALPM-UHFFFAOYSA-N 0 0 458.258 4.939 20 5 JJBDRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001360696758 1065738476 /nfs/dbraw/zinc/73/84/76/1065738476.db2.gz MLUFXNJUWGVJJS-UHFFFAOYSA-N 0 0 459.428 4.654 20 5 JJBDRN C[C@@](O)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccsc1 ZINC001360724094 1065751702 /nfs/dbraw/zinc/75/17/02/1065751702.db2.gz JGJAECKWQFGJTN-OAQYLSRUSA-N 0 0 495.527 4.991 20 5 JJBDRN CC(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1 ZINC001360735265 1065763235 /nfs/dbraw/zinc/76/32/35/1065763235.db2.gz FJKCZZFOZSXZLJ-LBPRGKRZSA-N 0 0 454.285 4.835 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)cc1OC ZINC001438903480 1065763883 /nfs/dbraw/zinc/76/38/83/1065763883.db2.gz BULVGVSOWXRPAI-JOCHJYFZSA-N 0 0 452.429 4.657 20 5 JJBDRN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001438905118 1065764546 /nfs/dbraw/zinc/76/45/46/1065764546.db2.gz GLCNALNFOYWUIL-NSHDSACASA-N 0 0 456.134 4.615 20 5 JJBDRN O=C(CCCc1ccccc1Br)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001438909074 1065765150 /nfs/dbraw/zinc/76/51/50/1065765150.db2.gz OXHSSUNHFCBZPD-UHFFFAOYSA-N 0 0 456.134 4.759 20 5 JJBDRN COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c1)C2 ZINC001438936012 1065769192 /nfs/dbraw/zinc/76/91/92/1065769192.db2.gz MLTFRKWVPAAVRF-NYHFZMIOSA-N 0 0 460.939 4.815 20 5 JJBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001438937683 1065769860 /nfs/dbraw/zinc/76/98/60/1065769860.db2.gz UXSPDJVBGCMPLV-HNNXBMFYSA-N 0 0 455.312 4.767 20 5 JJBDRN CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001439103176 1065786492 /nfs/dbraw/zinc/78/64/92/1065786492.db2.gz KVLRCTNKXZOFQZ-UHFFFAOYSA-N 0 0 458.353 4.514 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001439103692 1065786885 /nfs/dbraw/zinc/78/68/85/1065786885.db2.gz MTHFZOTVTMMAQV-SFHVURJKSA-N 0 0 451.951 4.938 20 5 JJBDRN O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)c1ccccc1[N+](=O)[O-] ZINC001439630295 1065850432 /nfs/dbraw/zinc/85/04/32/1065850432.db2.gz WXNYQXWSUWUMQI-UHFFFAOYSA-N 0 0 458.371 4.997 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439636310 1065851275 /nfs/dbraw/zinc/85/12/75/1065851275.db2.gz DSZAYHKLJKPZOU-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN COc1ccc(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)cc1[N+](=O)[O-] ZINC001360766602 1065853291 /nfs/dbraw/zinc/85/32/91/1065853291.db2.gz ZDQHBAVQXRMGSS-UHFFFAOYSA-N 0 0 455.511 4.746 20 5 JJBDRN Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001439802224 1065880687 /nfs/dbraw/zinc/88/06/87/1065880687.db2.gz NUZVSBBSDHDPQB-SNVBAGLBSA-N 0 0 459.783 4.706 20 5 JJBDRN O=C(N[C@H]1CCSC2(CCC2)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001439838745 1065885309 /nfs/dbraw/zinc/88/53/09/1065885309.db2.gz FGMVIECEZPLKJN-INIZCTEOSA-N 0 0 457.518 4.765 20 5 JJBDRN O=C(N[C@H]1COC[C@H]1C1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440020338 1065902866 /nfs/dbraw/zinc/90/28/66/1065902866.db2.gz MEJLYVRTOQIBGD-HOTGVXAUSA-N 0 0 452.454 4.920 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001440032810 1065905057 /nfs/dbraw/zinc/90/50/57/1065905057.db2.gz PPFWDWCGCDSHAI-UHFFFAOYSA-N 0 0 457.449 4.523 20 5 JJBDRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])cc2)c1 ZINC001360794365 1065908638 /nfs/dbraw/zinc/90/86/38/1065908638.db2.gz VVZZQZHZVHCUKM-UHFFFAOYSA-N 0 0 458.467 4.501 20 5 JJBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360794821 1065909274 /nfs/dbraw/zinc/90/92/74/1065909274.db2.gz ZHVIZUUILFNPEG-SFTDATJTSA-N 0 0 453.539 4.863 20 5 JJBDRN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001440151504 1065917338 /nfs/dbraw/zinc/91/73/38/1065917338.db2.gz XBBKQKFJGSNPOR-LLVKDONJSA-N 0 0 452.374 4.909 20 5 JJBDRN CC1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001360811502 1065924667 /nfs/dbraw/zinc/92/46/67/1065924667.db2.gz VHSXPBQILPLIMM-UHFFFAOYSA-N 0 0 476.459 4.617 20 5 JJBDRN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)Cc1cccc(Br)c1 ZINC001360814475 1065927470 /nfs/dbraw/zinc/92/74/70/1065927470.db2.gz FTLXQLOTEVYYOQ-HNNXBMFYSA-N 0 0 457.328 4.542 20 5 JJBDRN CC[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(Br)c1 ZINC001360815474 1065928325 /nfs/dbraw/zinc/92/83/25/1065928325.db2.gz ZECKAWKMLGMJIS-OAHLLOKOSA-N 0 0 457.328 4.542 20 5 JJBDRN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC001440327698 1065930292 /nfs/dbraw/zinc/93/02/92/1065930292.db2.gz CHLKKECXTUHOBA-UHFFFAOYSA-N 0 0 458.396 4.917 20 5 JJBDRN COc1ccccc1OCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001440341588 1065931379 /nfs/dbraw/zinc/93/13/79/1065931379.db2.gz SZOLXYCOVIQWEZ-UHFFFAOYSA-N 0 0 455.898 4.678 20 5 JJBDRN O=C([C@@H](Sc1ccc(F)cc1)c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440344777 1065931872 /nfs/dbraw/zinc/93/18/72/1065931872.db2.gz UJGPBGJILZUUBE-QHCPKHFHSA-N 0 0 451.523 4.916 20 5 JJBDRN COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1Cl ZINC001360820063 1065932923 /nfs/dbraw/zinc/93/29/23/1065932923.db2.gz QBJZSYKYQIFUGQ-NRFANRHFSA-N 0 0 454.866 4.547 20 5 JJBDRN Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001440414701 1065939598 /nfs/dbraw/zinc/93/95/98/1065939598.db2.gz VXFIWDUJAUBAOO-QGZVFWFLSA-N 0 0 453.520 4.755 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCC2)C1 ZINC001360835008 1065946860 /nfs/dbraw/zinc/94/68/60/1065946860.db2.gz MRIDYQOVKJEYRO-SFHVURJKSA-N 0 0 484.601 4.785 20 5 JJBDRN Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(I)c1 ZINC001360842216 1065951334 /nfs/dbraw/zinc/95/13/34/1065951334.db2.gz SJMZPMNFHOHVJX-UHFFFAOYSA-N 0 0 451.138 4.746 20 5 JJBDRN Cc1nc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1Br ZINC001360844602 1065953292 /nfs/dbraw/zinc/95/32/92/1065953292.db2.gz HDTUFHAZMLECLX-ZDUSSCGKSA-N 0 0 456.300 4.881 20 5 JJBDRN C[C@H](Sc1ccccn1)C(=O)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001440667996 1065961244 /nfs/dbraw/zinc/96/12/44/1065961244.db2.gz SHTYCDKHKPWZLA-ZDUSSCGKSA-N 0 0 457.895 4.982 20 5 JJBDRN COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC001441235425 1066017247 /nfs/dbraw/zinc/01/72/47/1066017247.db2.gz AUANZVRDWFHVHN-UHFFFAOYSA-N 0 0 455.898 4.678 20 5 JJBDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001441614174 1066054039 /nfs/dbraw/zinc/05/40/39/1066054039.db2.gz OZJHACQCMMZCKH-SMIHKQSGSA-N 0 0 450.535 4.674 20 5 JJBDRN Cc1nc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC001360904915 1066058788 /nfs/dbraw/zinc/05/87/88/1066058788.db2.gz QFEMSISNXWDSIY-UHFFFAOYSA-N 0 0 454.581 4.597 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001441741957 1066066434 /nfs/dbraw/zinc/06/64/34/1066066434.db2.gz XGGOAGCRBQJBQF-DBVUQKKJSA-N 0 0 458.461 4.605 20 5 JJBDRN COc1ccc([C@@H](C)CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001441742150 1066066460 /nfs/dbraw/zinc/06/64/60/1066066460.db2.gz YEWSFKHZJLOZLP-GHTZIAJQSA-N 0 0 454.523 4.725 20 5 JJBDRN Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)c1c(C)noc1C ZINC001360933228 1066091261 /nfs/dbraw/zinc/09/12/61/1066091261.db2.gz ZUPKOPLBXDNPGB-ZDUSSCGKSA-N 0 0 467.555 4.663 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCSCC4)cc3)cc2[N+](=O)[O-])C1 ZINC001360953854 1066110243 /nfs/dbraw/zinc/11/02/43/1066110243.db2.gz JTPGSJZYVJTCJF-HDICACEKSA-N 0 0 454.596 4.883 20 5 JJBDRN Cc1c(Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1CC(C)C ZINC001360965320 1066123943 /nfs/dbraw/zinc/12/39/43/1066123943.db2.gz AHGDXDYDFBDFEU-UHFFFAOYSA-N 0 0 451.575 4.688 20 5 JJBDRN O=C(OCc1ccc(Br)cc1Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001360985358 1066147266 /nfs/dbraw/zinc/14/72/66/1066147266.db2.gz YUNKAOQLOYRZPY-UHFFFAOYSA-N 0 0 454.639 4.693 20 5 JJBDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001360987773 1066158765 /nfs/dbraw/zinc/15/87/65/1066158765.db2.gz KEUGAWHZLPQJRB-UHFFFAOYSA-N 0 0 457.552 4.840 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)c([N+](=O)[O-])cc1F ZINC001360996917 1066175388 /nfs/dbraw/zinc/17/53/88/1066175388.db2.gz WCCXUAFRERRKCF-UHFFFAOYSA-N 0 0 452.417 4.996 20 5 JJBDRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c(C)o1 ZINC001360998365 1066177740 /nfs/dbraw/zinc/17/77/40/1066177740.db2.gz ZYHZXDDVRKOWNU-IZZNHLLZSA-N 0 0 497.596 4.612 20 5 JJBDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)c(C)o1 ZINC001360998363 1066177759 /nfs/dbraw/zinc/17/77/59/1066177759.db2.gz ZYHZXDDVRKOWNU-CLJLJLNGSA-N 0 0 497.596 4.612 20 5 JJBDRN CC[C@@]1(C)CC[C@H](Cn2c(CC3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC001546056061 1066221850 /nfs/dbraw/zinc/22/18/50/1066221850.db2.gz ACMWHULCMCLOEX-RDGATRHJSA-N 0 0 455.603 4.946 20 5 JJBDRN C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001442808344 1066225739 /nfs/dbraw/zinc/22/57/39/1066225739.db2.gz HQQXQOLOFMRNLU-DZGCQCFKSA-N 0 0 458.877 4.947 20 5 JJBDRN COc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001361032768 1066247588 /nfs/dbraw/zinc/24/75/88/1066247588.db2.gz GUEKWWCGDXFCCH-OAQYLSRUSA-N 0 0 454.866 4.547 20 5 JJBDRN COc1ccccc1-c1ccnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC001454250511 1066258381 /nfs/dbraw/zinc/25/83/81/1066258381.db2.gz XJZWMNICOUIJLM-UHFFFAOYSA-N 0 0 452.898 4.734 20 5 JJBDRN O=C(Nc1nc(COc2ccccc2)cs1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001454326363 1066270167 /nfs/dbraw/zinc/27/01/67/1066270167.db2.gz KQFKVGLNSSCKMO-UHFFFAOYSA-N 0 0 452.261 4.784 20 5 JJBDRN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001454442092 1066282895 /nfs/dbraw/zinc/28/28/95/1066282895.db2.gz SLPZGKWOBPOERW-UHFFFAOYSA-N 0 0 459.890 4.810 20 5 JJBDRN C[C@@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001454440267 1066283079 /nfs/dbraw/zinc/28/30/79/1066283079.db2.gz PWKWGFXHDQBWHN-ZFWWWQNUSA-N 0 0 457.930 4.677 20 5 JJBDRN CCON(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)c1cccc(Br)c1 ZINC001454543875 1066298636 /nfs/dbraw/zinc/29/86/36/1066298636.db2.gz TWAIGUFNKNKEGP-CQSZACIVSA-N 0 0 459.300 4.698 20 5 JJBDRN CN(C)c1cccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001361062419 1066301821 /nfs/dbraw/zinc/30/18/21/1066301821.db2.gz UFIKVOCFIDLECV-UHFFFAOYSA-N 0 0 456.502 4.799 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC001443390295 1066305589 /nfs/dbraw/zinc/30/55/89/1066305589.db2.gz ZNRXHNJUENHZHP-UHFFFAOYSA-N 0 0 457.918 4.518 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC001454592169 1066306470 /nfs/dbraw/zinc/30/64/70/1066306470.db2.gz PBZMDCODFRTNSK-PXNSSMCTSA-N 0 0 455.561 4.849 20 5 JJBDRN CC[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cc(Br)cn2)C1 ZINC001546063863 1066310507 /nfs/dbraw/zinc/31/05/07/1066310507.db2.gz DWRDPDVEWDRFSF-NRFANRHFSA-N 0 0 488.390 4.529 20 5 JJBDRN CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001545959243 1066318821 /nfs/dbraw/zinc/31/88/21/1066318821.db2.gz SEYVLSHXDIPTKI-GOSISDBHSA-N 0 0 489.374 4.538 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C ZINC001454728467 1066327565 /nfs/dbraw/zinc/32/75/65/1066327565.db2.gz DNWNXQKZWPPNQG-MRXNPFEDSA-N 0 0 451.589 4.862 20 5 JJBDRN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001454734205 1066329015 /nfs/dbraw/zinc/32/90/15/1066329015.db2.gz DQVNOTAMUKKYRZ-MRXNPFEDSA-N 0 0 455.338 4.711 20 5 JJBDRN CC(C)(C)c1csc(CC2(O)CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)n1 ZINC001454782076 1066333589 /nfs/dbraw/zinc/33/35/89/1066333589.db2.gz OTUCESJCKYMCAJ-UHFFFAOYSA-N 0 0 459.593 4.773 20 5 JJBDRN COc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001443646628 1066344028 /nfs/dbraw/zinc/34/40/28/1066344028.db2.gz AKPJOPUXFIYVRC-UHFFFAOYSA-N 0 0 455.536 4.866 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001455008292 1066352725 /nfs/dbraw/zinc/35/27/25/1066352725.db2.gz JGDSNPNKJONPCF-MXVIHJGJSA-N 0 0 456.564 4.985 20 5 JJBDRN COc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1Br ZINC001443787750 1066368630 /nfs/dbraw/zinc/36/86/30/1066368630.db2.gz KIUARNIGHGLDDE-UHFFFAOYSA-N 0 0 459.246 4.983 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)c1F ZINC001443837680 1066373944 /nfs/dbraw/zinc/37/39/44/1066373944.db2.gz BXZCOCIOJIOVTO-UHFFFAOYSA-N 0 0 456.445 4.911 20 5 JJBDRN O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001443866753 1066377927 /nfs/dbraw/zinc/37/79/27/1066377927.db2.gz BZFPNDWJYZJVKS-UHFFFAOYSA-N 0 0 459.458 4.873 20 5 JJBDRN C[C@H](C(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC001455272464 1066378633 /nfs/dbraw/zinc/37/86/33/1066378633.db2.gz JKOLLXIHJDVEHU-AWEZNQCLSA-N 0 0 459.474 4.606 20 5 JJBDRN NC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1N1CCCCC1 ZINC001443966632 1066388545 /nfs/dbraw/zinc/38/85/45/1066388545.db2.gz MYVMFHPJWBPKFE-UHFFFAOYSA-N 0 0 459.506 4.680 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001443981992 1066390350 /nfs/dbraw/zinc/39/03/50/1066390350.db2.gz SGXMUVJFMFVNGD-RAWGQGSESA-N 0 0 453.539 4.739 20 5 JJBDRN O=C(NCCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001444023236 1066395852 /nfs/dbraw/zinc/39/58/52/1066395852.db2.gz FAEHQDJFBQBNAH-UHFFFAOYSA-N 0 0 457.600 4.558 20 5 JJBDRN CC(C)(C)c1csc(C2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)CC2)n1 ZINC001444080333 1066400863 /nfs/dbraw/zinc/40/08/63/1066400863.db2.gz ADVQSFRGNSMKFD-UHFFFAOYSA-N 0 0 457.531 4.693 20 5 JJBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc1 ZINC001361132300 1066402315 /nfs/dbraw/zinc/40/23/15/1066402315.db2.gz LGQCBNGEXKMMPM-UHFFFAOYSA-N 0 0 456.252 4.501 20 5 JJBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC001444154677 1066419424 /nfs/dbraw/zinc/41/94/24/1066419424.db2.gz YNDNOQKVTGWMSX-MRXNPFEDSA-N 0 0 450.447 4.573 20 5 JJBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC001444154669 1066419503 /nfs/dbraw/zinc/41/95/03/1066419503.db2.gz YNDNOQKVTGWMSX-INIZCTEOSA-N 0 0 450.447 4.573 20 5 JJBDRN O=C(CCCCc1ccc(Br)cc1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455682094 1066424289 /nfs/dbraw/zinc/42/42/89/1066424289.db2.gz QXTJQQGUZSOZHC-UHFFFAOYSA-N 0 0 459.344 4.695 20 5 JJBDRN COc1ccc(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] ZINC001361144091 1066425543 /nfs/dbraw/zinc/42/55/43/1066425543.db2.gz HRWRSUSKNMAPHI-UHFFFAOYSA-N 0 0 456.882 4.645 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001444181308 1066426906 /nfs/dbraw/zinc/42/69/06/1066426906.db2.gz VKDLMZPHWJYHKV-CQSZACIVSA-N 0 0 457.577 4.911 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC001455790201 1066431628 /nfs/dbraw/zinc/43/16/28/1066431628.db2.gz OGVGGNJRFZQEPI-ORAYPTAESA-N 0 0 452.408 4.670 20 5 JJBDRN CC[C@H](NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001455817907 1066437671 /nfs/dbraw/zinc/43/76/71/1066437671.db2.gz HIDWDJZWVHVCAK-SBCUQWKCSA-N 0 0 459.502 4.701 20 5 JJBDRN CC(C)(C(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001455916103 1066451232 /nfs/dbraw/zinc/45/12/32/1066451232.db2.gz YIZZWYURALLWFE-UHFFFAOYSA-N 0 0 459.340 4.979 20 5 JJBDRN COc1ccc(-c2nc(C)c(C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)s2)c(F)c1 ZINC001455976518 1066465121 /nfs/dbraw/zinc/46/51/21/1066465121.db2.gz HGSFKXRHYYPCAL-UHFFFAOYSA-N 0 0 453.455 4.612 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](COCc4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC001361161591 1066467748 /nfs/dbraw/zinc/46/77/48/1066467748.db2.gz RDXLEJGPECCIDP-VWPQPMDRSA-N 0 0 451.567 4.756 20 5 JJBDRN O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001456007937 1066471048 /nfs/dbraw/zinc/47/10/48/1066471048.db2.gz MIQFMTQMHHKMCE-UHFFFAOYSA-N 0 0 451.523 4.862 20 5 JJBDRN CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012813 1066472569 /nfs/dbraw/zinc/47/25/69/1066472569.db2.gz BVCNGBGCULVDCK-YCRPNKLZSA-N 0 0 458.946 4.632 20 5 JJBDRN O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001456020208 1066476269 /nfs/dbraw/zinc/47/62/69/1066476269.db2.gz RBNVHRCZHCUMOG-QGZVFWFLSA-N 0 0 458.312 4.759 20 5 JJBDRN CCOCCOc1ccc(Cl)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001361167868 1066481551 /nfs/dbraw/zinc/48/15/51/1066481551.db2.gz GWYHXXIQEFPXFQ-UHFFFAOYSA-N 0 0 457.708 4.607 20 5 JJBDRN COc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC1CCCC1 ZINC001456034653 1066485081 /nfs/dbraw/zinc/48/50/81/1066485081.db2.gz KPBNDPLDWDXERF-UHFFFAOYSA-N 0 0 453.520 4.978 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001456038421 1066487055 /nfs/dbraw/zinc/48/70/55/1066487055.db2.gz OZGKTDRJOWNDPJ-LBPRGKRZSA-N 0 0 459.127 4.673 20 5 JJBDRN Cc1nn(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)c(C)c1[N+](=O)[O-] ZINC001361188257 1066513685 /nfs/dbraw/zinc/51/36/85/1066513685.db2.gz GIGSCOFJGXGTCT-UHFFFAOYSA-N 0 0 452.477 4.835 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001444967634 1066523831 /nfs/dbraw/zinc/52/38/31/1066523831.db2.gz FRGMWPAYYVTOQB-ACJLOTCBSA-N 0 0 450.308 4.542 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccc(Br)cc21 ZINC001456186525 1066532485 /nfs/dbraw/zinc/53/24/85/1066532485.db2.gz ILZGWWKKECIGSG-UHFFFAOYSA-N 0 0 458.234 4.767 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC001361204762 1066535956 /nfs/dbraw/zinc/53/59/56/1066535956.db2.gz IILBNRKBPIFRNM-HXUWFJFHSA-N 0 0 450.601 4.923 20 5 JJBDRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC001456211582 1066538453 /nfs/dbraw/zinc/53/84/53/1066538453.db2.gz HYCMCIJPCKBZMB-UHFFFAOYSA-N 0 0 455.677 4.907 20 5 JJBDRN CC(C)c1ccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCCC2)cc1 ZINC001456220556 1066539939 /nfs/dbraw/zinc/53/99/39/1066539939.db2.gz RNKOEDVZWKAVRP-HXUWFJFHSA-N 0 0 453.539 4.544 20 5 JJBDRN COc1ccc(SCC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC001456239718 1066542823 /nfs/dbraw/zinc/54/28/23/1066542823.db2.gz BXCDTTMTNAFONZ-UHFFFAOYSA-N 0 0 450.476 4.780 20 5 JJBDRN CS(=O)(=O)CC[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC001456262915 1066549035 /nfs/dbraw/zinc/54/90/35/1066549035.db2.gz GICJLEVLHDELMI-JOCHJYFZSA-N 0 0 454.504 4.544 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1 ZINC001456263590 1066549355 /nfs/dbraw/zinc/54/93/55/1066549355.db2.gz GKYXOSSSPQLMKQ-HNNXBMFYSA-N 0 0 457.552 4.976 20 5 JJBDRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)c1 ZINC001445283402 1066552735 /nfs/dbraw/zinc/55/27/35/1066552735.db2.gz IXAADSUTHKEWEZ-KRWDZBQOSA-N 0 0 458.421 4.572 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC001456280055 1066554307 /nfs/dbraw/zinc/55/43/07/1066554307.db2.gz QECLRLFKTZUKLH-QGZVFWFLSA-N 0 0 459.465 4.817 20 5 JJBDRN COC(=O)c1cc(C(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)cc([N+](=O)[O-])c1 ZINC001456296584 1066557370 /nfs/dbraw/zinc/55/73/70/1066557370.db2.gz CQPKXEZOPRHHQV-INIZCTEOSA-N 0 0 453.322 4.933 20 5 JJBDRN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cc1ccc(Cl)cc1Cl ZINC001456300451 1066558028 /nfs/dbraw/zinc/55/80/28/1066558028.db2.gz FNWDKTPLSOTIRU-AWEZNQCLSA-N 0 0 453.322 4.918 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CCOCC1 ZINC001456395847 1066577538 /nfs/dbraw/zinc/57/75/38/1066577538.db2.gz QEVDKFFABDFDJE-NRFANRHFSA-N 0 0 451.445 4.700 20 5 JJBDRN CC(C)c1nc([C@H]2CCCCN2C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC001361237734 1066578596 /nfs/dbraw/zinc/57/85/96/1066578596.db2.gz PHGGFYIDCAUIEF-CYBMUJFWSA-N 0 0 458.462 4.966 20 5 JJBDRN COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC001361248616 1066592208 /nfs/dbraw/zinc/59/22/08/1066592208.db2.gz YDBIOOIPVADZRX-QHCPKHFHSA-N 0 0 458.873 4.853 20 5 JJBDRN Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)OC(C)(C)C)s1 ZINC001361249978 1066595134 /nfs/dbraw/zinc/59/51/34/1066595134.db2.gz MNZMMXAEOMIWOL-UHFFFAOYSA-N 0 0 486.598 4.774 20 5 JJBDRN Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C)c(C)s2)s1 ZINC001361250257 1066596763 /nfs/dbraw/zinc/59/67/63/1066596763.db2.gz UHZJSCBJDOJGSD-UHFFFAOYSA-N 0 0 454.581 4.981 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001445698028 1066605602 /nfs/dbraw/zinc/60/56/02/1066605602.db2.gz OCYXIVCVXQKZSB-MRXNPFEDSA-N 0 0 454.939 4.803 20 5 JJBDRN C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC001445717766 1066609910 /nfs/dbraw/zinc/60/99/10/1066609910.db2.gz FCEXKXIOEGHTNY-GFCCVEGCSA-N 0 0 451.292 4.705 20 5 JJBDRN O=C(COc1ccc(Br)cc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001456539990 1066619323 /nfs/dbraw/zinc/61/93/23/1066619323.db2.gz FCRAMRICGNKBNF-KRWDZBQOSA-N 0 0 457.733 4.664 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(N(C)c4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC001361270168 1066624228 /nfs/dbraw/zinc/62/42/28/1066624228.db2.gz RHCJBUMQHKXGEP-PMACEKPBSA-N 0 0 450.583 4.818 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1OC1CCOCC1 ZINC001456596399 1066637368 /nfs/dbraw/zinc/63/73/68/1066637368.db2.gz NPVXBRCEAIFOKN-UHFFFAOYSA-N 0 0 453.539 4.950 20 5 JJBDRN CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001456599321 1066638032 /nfs/dbraw/zinc/63/80/32/1066638032.db2.gz JQSJTMAOLGSGFS-QFIPXVFZSA-N 0 0 451.454 4.557 20 5 JJBDRN COc1ccc(-c2nc(C)sc2CC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC001456622089 1066647682 /nfs/dbraw/zinc/64/76/82/1066647682.db2.gz HAAUCLZGUJAMAG-UHFFFAOYSA-N 0 0 454.552 4.505 20 5 JJBDRN O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001446039843 1066649988 /nfs/dbraw/zinc/64/99/88/1066649988.db2.gz YGUXCBVVIHIXGP-QFIPXVFZSA-N 0 0 452.532 4.598 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCc1cscn1 ZINC001446043050 1066650540 /nfs/dbraw/zinc/65/05/40/1066650540.db2.gz BDEZGOWSFGRZBY-LFIBNONCSA-N 0 0 450.545 4.951 20 5 JJBDRN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC001446051642 1066652634 /nfs/dbraw/zinc/65/26/34/1066652634.db2.gz VUCKZLWMHYTIFP-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc([N+](=O)[O-])c1 ZINC001456642700 1066655479 /nfs/dbraw/zinc/65/54/79/1066655479.db2.gz QHEPKYUHNUYPEA-UHFFFAOYSA-N 0 0 459.867 4.601 20 5 JJBDRN CCC[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)c(C(=O)OCC)s1 ZINC001456644008 1066656169 /nfs/dbraw/zinc/65/61/69/1066656169.db2.gz UVXZQTOKUHGTDM-GFCCVEGCSA-N 0 0 453.948 4.954 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001456644546 1066656862 /nfs/dbraw/zinc/65/68/62/1066656862.db2.gz WFWBCXIUAPUSJT-UHFFFAOYSA-N 0 0 459.817 4.947 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccccc21 ZINC001456646265 1066657473 /nfs/dbraw/zinc/65/74/73/1066657473.db2.gz YHTGOESVRSAXMP-UHFFFAOYSA-N 0 0 452.511 4.961 20 5 JJBDRN Cc1cccnc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001492605101 1066662191 /nfs/dbraw/zinc/66/21/91/1066662191.db2.gz PUBWZKDIQJVFSL-UHFFFAOYSA-N 0 0 454.943 4.956 20 5 JJBDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001456711494 1066672150 /nfs/dbraw/zinc/67/21/50/1066672150.db2.gz WWRSXXGYICYXOX-UHFFFAOYSA-N 0 0 458.356 4.761 20 5 JJBDRN Cc1cnc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)(F)F)s1 ZINC001492629864 1066701941 /nfs/dbraw/zinc/70/19/41/1066701941.db2.gz JGJMQAGOVVKPND-LBPRGKRZSA-N 0 0 454.478 4.811 20 5 JJBDRN C[C@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001446400605 1066702495 /nfs/dbraw/zinc/70/24/95/1066702495.db2.gz UAUUBTNPHBNXFB-UONOGXRCSA-N 0 0 454.470 4.998 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC001446519447 1066714018 /nfs/dbraw/zinc/71/40/18/1066714018.db2.gz JMJCJBPQUDNVGU-HNNXBMFYSA-N 0 0 457.943 4.543 20 5 JJBDRN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456918166 1066721760 /nfs/dbraw/zinc/72/17/60/1066721760.db2.gz WFDGGBZQJXCKJD-SFHVURJKSA-N 0 0 457.552 4.827 20 5 JJBDRN Cc1ccc(N2CCC[C@H](NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC001456918254 1066721782 /nfs/dbraw/zinc/72/17/82/1066721782.db2.gz GJCKKEZGXYQUPO-INIZCTEOSA-N 0 0 453.486 4.799 20 5 JJBDRN CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCCCC2)CCO1 ZINC001546085942 1066735885 /nfs/dbraw/zinc/73/58/85/1066735885.db2.gz VPXCEEKJEMSMID-XMMPIXPASA-N 0 0 457.575 4.598 20 5 JJBDRN Cc1csc(CCCCn2c(CC(C)(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1 ZINC001492643763 1066740178 /nfs/dbraw/zinc/74/01/78/1066740178.db2.gz QMXJMHDUCRRKGW-UHFFFAOYSA-N 0 0 486.646 4.601 20 5 JJBDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC001457018383 1066744013 /nfs/dbraw/zinc/74/40/13/1066744013.db2.gz UQIRMHQDOSRQHE-SCLBCKFNSA-N 0 0 450.333 4.695 20 5 JJBDRN Cc1csc(CCCCn2c(N3CCc4ccc([N+](=O)[O-])cc4C3)nnc2C(C)(C)C)n1 ZINC001492644927 1066744509 /nfs/dbraw/zinc/74/45/09/1066744509.db2.gz FUUUXLZLSOLJSG-UHFFFAOYSA-N 0 0 454.600 4.834 20 5 JJBDRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC001457021320 1066745543 /nfs/dbraw/zinc/74/55/43/1066745543.db2.gz RXAQBMFFOKYJRW-UHFFFAOYSA-N 0 0 456.520 4.567 20 5 JJBDRN O=C(NCCNc1cccc(Br)c1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001446834145 1066746190 /nfs/dbraw/zinc/74/61/90/1066746190.db2.gz GVKKHXOMSZXCKZ-UHFFFAOYSA-N 0 0 451.079 4.645 20 5 JJBDRN C[C@@H](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446881789 1066752819 /nfs/dbraw/zinc/75/28/19/1066752819.db2.gz YLASEIOTDBFUQR-HNNXBMFYSA-N 0 0 453.967 4.580 20 5 JJBDRN Cc1nc(CN(C)C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC001447052897 1066769490 /nfs/dbraw/zinc/76/94/90/1066769490.db2.gz MKJMJPFTDOPSJP-UHFFFAOYSA-N 0 0 452.414 4.728 20 5 JJBDRN Cc1nc(C)c(CCn2c(CC3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC001492657380 1066771117 /nfs/dbraw/zinc/77/11/17/1066771117.db2.gz RQONJWKCUZOSNG-UHFFFAOYSA-N 0 0 454.600 4.870 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC001457171480 1066780290 /nfs/dbraw/zinc/78/02/90/1066780290.db2.gz YGUPGIUWPATOIG-ROUUACIJSA-N 0 0 454.527 4.738 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001457203086 1066788118 /nfs/dbraw/zinc/78/81/18/1066788118.db2.gz SMKHSTXSIWTGRO-JOCHJYFZSA-N 0 0 451.951 4.573 20 5 JJBDRN O=C(Nc1[nH]nc2nc(C(F)(F)F)ccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001457223550 1066794089 /nfs/dbraw/zinc/79/40/89/1066794089.db2.gz QONKZQPWBAYCES-UHFFFAOYSA-N 0 0 456.384 4.749 20 5 JJBDRN Cc1cscc1Cn1c(Cc2csc(C)n2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001492668216 1066795541 /nfs/dbraw/zinc/79/55/41/1066795541.db2.gz CHLGYGQCVPKYPT-UHFFFAOYSA-N 0 0 468.608 4.639 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)cc1 ZINC001447338355 1066796063 /nfs/dbraw/zinc/79/60/63/1066796063.db2.gz FMYZJRYOSUJZOH-KRWDZBQOSA-N 0 0 456.495 4.590 20 5 JJBDRN CCCc1c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 ZINC001447383738 1066802177 /nfs/dbraw/zinc/80/21/77/1066802177.db2.gz ZSHXNZGIUAHPIV-UHFFFAOYSA-N 0 0 458.316 4.760 20 5 JJBDRN C[C@@H](Sc1ccccc1C(=O)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)C(N)=O ZINC001457297850 1066806402 /nfs/dbraw/zinc/80/64/02/1066806402.db2.gz XDLYEEMJVFSXHH-OAHLLOKOSA-N 0 0 452.488 4.710 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457457340 1066834126 /nfs/dbraw/zinc/83/41/26/1066834126.db2.gz LEIZRPOCHZMQQX-SFHVURJKSA-N 0 0 450.804 4.919 20 5 JJBDRN O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001447652426 1066836174 /nfs/dbraw/zinc/83/61/74/1066836174.db2.gz DVTXGVUNVMLVJW-URXFXBBRSA-N 0 0 458.555 4.912 20 5 JJBDRN CCCc1c(NC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)cnn1-c1ccc(C)cc1 ZINC001447690340 1066842065 /nfs/dbraw/zinc/84/20/65/1066842065.db2.gz ROSRUDNBYQDXDF-UHFFFAOYSA-N 0 0 458.522 4.847 20 5 JJBDRN Nc1c(Br)cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] ZINC001457500172 1066844082 /nfs/dbraw/zinc/84/40/82/1066844082.db2.gz QJDWRPGEOFZENK-UHFFFAOYSA-N 0 0 453.705 4.969 20 5 JJBDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001447777932 1066856262 /nfs/dbraw/zinc/85/62/62/1066856262.db2.gz HDVLTVIFASBMQR-SGTLLEGYSA-N 0 0 453.720 4.542 20 5 JJBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Cl)cc1I ZINC001457559054 1066861302 /nfs/dbraw/zinc/86/13/02/1066861302.db2.gz BRIGULTZBUTSER-UHFFFAOYSA-N 0 0 455.639 4.515 20 5 JJBDRN NC(=O)C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1 ZINC001457686950 1066897920 /nfs/dbraw/zinc/89/79/20/1066897920.db2.gz IKIAQCYACWBAPX-HXUWFJFHSA-N 0 0 455.923 4.746 20 5 JJBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1noc(-c2ccccc2)n1 ZINC001457706742 1066900724 /nfs/dbraw/zinc/90/07/24/1066900724.db2.gz NBZGLILYICLGFA-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN CC(=O)Nc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1-c1ccccc1 ZINC001448113838 1066900796 /nfs/dbraw/zinc/90/07/96/1066900796.db2.gz RNUJDWZNYOKHCS-UHFFFAOYSA-N 0 0 450.398 4.948 20 5 JJBDRN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001457713444 1066902436 /nfs/dbraw/zinc/90/24/36/1066902436.db2.gz QWWWDCCRYMZJGN-ZWKOTPCHSA-N 0 0 455.268 4.682 20 5 JJBDRN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001457762451 1066914097 /nfs/dbraw/zinc/91/40/97/1066914097.db2.gz JAISAZNNSXOPAF-HNNXBMFYSA-N 0 0 452.292 4.683 20 5 JJBDRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CC=CCC2)n1 ZINC001492741182 1066916677 /nfs/dbraw/zinc/91/66/77/1066916677.db2.gz VBFYZGCQUFVAQL-NRFANRHFSA-N 0 0 463.586 4.819 20 5 JJBDRN C[C@](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)(C(N)=O)c1ccccc1 ZINC001457801400 1066923582 /nfs/dbraw/zinc/92/35/82/1066923582.db2.gz YEVQDBXRCVOQJU-JOCHJYFZSA-N 0 0 455.923 4.530 20 5 JJBDRN Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC001492760805 1066933459 /nfs/dbraw/zinc/93/34/59/1066933459.db2.gz SHYPUMCZCZVYCP-DYESRHJHSA-N 0 0 451.575 4.772 20 5 JJBDRN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1Br ZINC001448540799 1066937508 /nfs/dbraw/zinc/93/75/08/1066937508.db2.gz LSSLZLLTCLPTKY-SFHVURJKSA-N 0 0 455.312 4.829 20 5 JJBDRN O=C(Nc1cnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1I ZINC001457984833 1066951871 /nfs/dbraw/zinc/95/18/71/1066951871.db2.gz URLOWDURYYCGAM-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN CC(C)C[C@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC001448724151 1066953985 /nfs/dbraw/zinc/95/39/85/1066953985.db2.gz LWEDDSZBPYGWMO-IBGZPJMESA-N 0 0 455.946 4.940 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC001457995009 1066954190 /nfs/dbraw/zinc/95/41/90/1066954190.db2.gz NGAVWLAFVVQWAT-UHFFFAOYSA-N 0 0 450.289 4.886 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N(C)c2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC001448800929 1066958575 /nfs/dbraw/zinc/95/85/75/1066958575.db2.gz SGKHIHODLUISTK-UHFFFAOYSA-N 0 0 458.518 4.527 20 5 JJBDRN CSc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001448847352 1066964006 /nfs/dbraw/zinc/96/40/06/1066964006.db2.gz JRVXNVVVCXACHW-UHFFFAOYSA-N 0 0 459.568 4.874 20 5 JJBDRN COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(Br)c1 ZINC001458083676 1066970160 /nfs/dbraw/zinc/97/01/60/1066970160.db2.gz PBHFRLJIWFEIHS-UHFFFAOYSA-N 0 0 459.252 4.910 20 5 JJBDRN Cn1c(COc2ccc(Cl)cc2)nnc1Sc1c(Br)cccc1[N+](=O)[O-] ZINC001458089717 1066971325 /nfs/dbraw/zinc/97/13/25/1066971325.db2.gz PESAUIMFBRASEC-UHFFFAOYSA-N 0 0 455.721 4.869 20 5 JJBDRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC001458095354 1066973592 /nfs/dbraw/zinc/97/35/92/1066973592.db2.gz XXPLUYSHLKNSBP-HNNXBMFYSA-N 0 0 451.595 4.838 20 5 JJBDRN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC001458095355 1066973631 /nfs/dbraw/zinc/97/36/31/1066973631.db2.gz XXPLUYSHLKNSBP-OAHLLOKOSA-N 0 0 451.595 4.838 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC001458102984 1066976192 /nfs/dbraw/zinc/97/61/92/1066976192.db2.gz JLKIVMLDCAMVQH-VLIAUNLRSA-N 0 0 452.429 4.669 20 5 JJBDRN CCOc1ccccc1C(=O)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001458104469 1066976959 /nfs/dbraw/zinc/97/69/59/1066976959.db2.gz GPFKZVFHHWOAJU-UHFFFAOYSA-N 0 0 457.836 4.628 20 5 JJBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001546011664 1066984497 /nfs/dbraw/zinc/98/44/97/1066984497.db2.gz OGVUUHAOOJITSR-QHCPKHFHSA-N 0 0 453.901 4.935 20 5 JJBDRN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001458136168 1066985026 /nfs/dbraw/zinc/98/50/26/1066985026.db2.gz LTEVXCOULCTSER-NSHDSACASA-N 0 0 450.460 4.597 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC001458138416 1066985836 /nfs/dbraw/zinc/98/58/36/1066985836.db2.gz QYWULJCBLJSVRI-KRWDZBQOSA-N 0 0 455.536 4.992 20 5 JJBDRN CN1CCN(c2ccc(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cc2Cl)CC1 ZINC001458149471 1066988347 /nfs/dbraw/zinc/98/83/47/1066988347.db2.gz CKAUZDCGBYLPJB-UHFFFAOYSA-N 0 0 450.926 4.975 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@@H]2c2nc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001449221935 1066990606 /nfs/dbraw/zinc/99/06/06/1066990606.db2.gz OVVHTWVRHIKCOO-OAHLLOKOSA-N 0 0 458.858 4.718 20 5 JJBDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155805 1066991279 /nfs/dbraw/zinc/99/12/79/1066991279.db2.gz RXNOSHHRGUAXGN-SBUREZEXSA-N 0 0 458.990 4.643 20 5 JJBDRN Cc1ccc(C[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC001458173994 1066996298 /nfs/dbraw/zinc/99/62/98/1066996298.db2.gz CNKSUDMAPMQZHY-OAQYLSRUSA-N 0 0 457.596 4.679 20 5 JJBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001449295704 1066996308 /nfs/dbraw/zinc/99/63/08/1066996308.db2.gz JQXQWPRTNLFHOK-FQEVSTJZSA-N 0 0 453.283 4.988 20 5 JJBDRN NS(=O)(=O)c1cccc(Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1[N+](=O)[O-] ZINC001458198214 1067001899 /nfs/dbraw/zinc/00/18/99/1067001899.db2.gz ZYVNEWUJLCCZOC-UHFFFAOYSA-N 0 0 453.398 4.797 20 5 JJBDRN Cc1ccc(C[C@@H](C)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])s1 ZINC001458205449 1067002719 /nfs/dbraw/zinc/00/27/19/1067002719.db2.gz TUTZITXXQGSBFR-ISXOHVOVSA-N 0 0 451.614 4.865 20 5 JJBDRN CCOCCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001458219279 1067006213 /nfs/dbraw/zinc/00/62/13/1067006213.db2.gz ZXQIWVVUSFUZTB-KRWDZBQOSA-N 0 0 450.944 4.667 20 5 JJBDRN CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458222522 1067006805 /nfs/dbraw/zinc/00/68/05/1067006805.db2.gz BVEOCVGRRBYDGU-JOCHJYFZSA-N 0 0 455.492 4.670 20 5 JJBDRN COc1cc(CN2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC001458239559 1067009669 /nfs/dbraw/zinc/00/96/69/1067009669.db2.gz XDJRJGCFDCAEFO-UHFFFAOYSA-N 0 0 459.852 4.606 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(-n2cc(Br)cn2)cc1 ZINC001458294411 1067023617 /nfs/dbraw/zinc/02/36/17/1067023617.db2.gz JHAZFXLCYDJRNP-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC001458295248 1067024087 /nfs/dbraw/zinc/02/40/87/1067024087.db2.gz KYMRDGLNZDYKBB-UHFFFAOYSA-N 0 0 455.348 4.667 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(OC)cc2Br)cc1OC ZINC001458300496 1067025360 /nfs/dbraw/zinc/02/53/60/1067025360.db2.gz CKLPPMGYBQWNOI-NSHDSACASA-N 0 0 454.273 4.691 20 5 JJBDRN C[C@@H](c1ccccn1)N(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001458307332 1067026189 /nfs/dbraw/zinc/02/61/89/1067026189.db2.gz ACWAKMSYHYVCSI-SFHVURJKSA-N 0 0 456.506 4.650 20 5 JJBDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001458315821 1067028107 /nfs/dbraw/zinc/02/81/07/1067028107.db2.gz JYQSCJOOSZUMPD-MRXNPFEDSA-N 0 0 458.318 4.833 20 5 JJBDRN CCOc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1OCC ZINC001449846795 1067031925 /nfs/dbraw/zinc/03/19/25/1067031925.db2.gz BHFQTCOARMSHMR-FQEVSTJZSA-N 0 0 454.523 4.761 20 5 JJBDRN CC(C)(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCc1ccccc1 ZINC001458328898 1067032234 /nfs/dbraw/zinc/03/22/34/1067032234.db2.gz FGNWNHGCWAPTLS-LJQANCHMSA-N 0 0 453.520 4.606 20 5 JJBDRN Cc1c(Br)c(N[C@H]2CCN(c3cccc(Br)c3)C2)ncc1[N+](=O)[O-] ZINC001458340011 1067035068 /nfs/dbraw/zinc/03/50/68/1067035068.db2.gz FYVCDVDMBSNTHQ-LBPRGKRZSA-N 0 0 456.138 4.514 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001458341573 1067035446 /nfs/dbraw/zinc/03/54/46/1067035446.db2.gz RXSMRMYVWAYRLC-GOSISDBHSA-N 0 0 453.967 4.771 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001449902690 1067035767 /nfs/dbraw/zinc/03/57/67/1067035767.db2.gz VAQRPJLMQKVIMQ-UHFFFAOYSA-N 0 0 452.935 4.520 20 5 JJBDRN Cc1ccc(C[C@H](CO)CNc2cccc(Br)c2[N+](=O)[O-])cc1Br ZINC001458379301 1067046582 /nfs/dbraw/zinc/04/65/82/1067046582.db2.gz OHDHUXCQRDYXQL-ZDUSSCGKSA-N 0 0 458.150 4.691 20 5 JJBDRN Nc1c(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC001450075118 1067047547 /nfs/dbraw/zinc/04/75/47/1067047547.db2.gz FUCFBIPRFQLXEQ-UHFFFAOYSA-N 0 0 454.586 4.744 20 5 JJBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 ZINC001450076063 1067047564 /nfs/dbraw/zinc/04/75/64/1067047564.db2.gz QQBQKZYGXHLTIC-UHFFFAOYSA-N 0 0 458.518 4.557 20 5 JJBDRN C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001458412420 1067055335 /nfs/dbraw/zinc/05/53/35/1067055335.db2.gz HEOBXUCYBQIFOE-XLIONFOSSA-N 0 0 453.539 4.813 20 5 JJBDRN COC(=O)c1ccnc(N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1[N+](=O)[O-] ZINC001458435337 1067059439 /nfs/dbraw/zinc/05/94/39/1067059439.db2.gz YXAQFBMCEDTLDK-UHFFFAOYSA-N 0 0 456.499 4.507 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3)cc2[N+](=O)[O-])C1 ZINC001458461856 1067068819 /nfs/dbraw/zinc/06/88/19/1067068819.db2.gz KBZXLPAUXLHABC-QWFCFKBJSA-N 0 0 454.546 4.615 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001458491792 1067073917 /nfs/dbraw/zinc/07/39/17/1067073917.db2.gz RERRLRUXULOYDK-DZGCQCFKSA-N 0 0 454.449 4.673 20 5 JJBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1nccc2c(Br)cccc21 ZINC001458501030 1067076245 /nfs/dbraw/zinc/07/62/45/1067076245.db2.gz IZQJHBZRYCOBIG-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC001458501170 1067076336 /nfs/dbraw/zinc/07/63/36/1067076336.db2.gz KCOASJWYNAQJQI-UHFFFAOYSA-N 0 0 450.289 4.634 20 5 JJBDRN COC(=O)c1cnc(N(C)CCCN2c3ccccc3Sc3ccccc32)c([N+](=O)[O-])c1 ZINC001458514370 1067078559 /nfs/dbraw/zinc/07/85/59/1067078559.db2.gz MCUFXMMOYIADQO-UHFFFAOYSA-N 0 0 450.520 4.906 20 5 JJBDRN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC001458538103 1067084490 /nfs/dbraw/zinc/08/44/90/1067084490.db2.gz RFKXSXLASMALPD-OAHLLOKOSA-N 0 0 454.708 4.924 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC001450489014 1067085089 /nfs/dbraw/zinc/08/50/89/1067085089.db2.gz PEXGGOMKIIXHTN-OKILXGFUSA-N 0 0 453.486 4.929 20 5 JJBDRN CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)SC ZINC001545791096 1067087871 /nfs/dbraw/zinc/08/78/71/1067087871.db2.gz HMAWXTHCCFGCFR-UHFFFAOYSA-N 0 0 489.671 4.798 20 5 JJBDRN Cc1cc(OCC(=O)O[C@@H](c2cc(Br)cs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458564375 1067088192 /nfs/dbraw/zinc/08/81/92/1067088192.db2.gz QRSZYZQPXPIQKG-AWEZNQCLSA-N 0 0 454.220 4.953 20 5 JJBDRN Cc1ncc(-c2ccccc2)cc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001458583425 1067091019 /nfs/dbraw/zinc/09/10/19/1067091019.db2.gz DSOHVZFWDAYEKF-UHFFFAOYSA-N 0 0 455.312 4.803 20 5 JJBDRN Cc1cc(F)ccc1[C@@H](C)Nc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-] ZINC001458592525 1067091710 /nfs/dbraw/zinc/09/17/10/1067091710.db2.gz IWVULZMLLYBUIG-OAHLLOKOSA-N 0 0 454.483 4.802 20 5 JJBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001458616940 1067096395 /nfs/dbraw/zinc/09/63/95/1067096395.db2.gz ZUUKKZMJQLGLJV-GHMZBOCLSA-N 0 0 454.396 4.559 20 5 JJBDRN Nc1c(Br)cc(Br)cc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001458627558 1067098283 /nfs/dbraw/zinc/09/82/83/1067098283.db2.gz YUUSQAOPYZKTFV-UHFFFAOYSA-N 0 0 456.138 4.588 20 5 JJBDRN CC(C)(C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001458704880 1067112162 /nfs/dbraw/zinc/11/21/62/1067112162.db2.gz HQJXZIMIHDRJAL-UHFFFAOYSA-N 0 0 451.502 4.559 20 5 JJBDRN COc1ccc(OCCSc2nnc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC001458719690 1067115549 /nfs/dbraw/zinc/11/55/49/1067115549.db2.gz BNJMICJVKYJBMX-UHFFFAOYSA-N 0 0 452.286 4.587 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC001451337999 1067160561 /nfs/dbraw/zinc/16/05/61/1067160561.db2.gz IZXQWPSSYVVQEL-UHFFFAOYSA-N 0 0 453.283 4.659 20 5 JJBDRN CS[C@@H](CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001458870376 1067180255 /nfs/dbraw/zinc/18/02/55/1067180255.db2.gz ULPDJCXOPFWSQT-NRFANRHFSA-N 0 0 452.580 4.884 20 5 JJBDRN C[C@@H]1[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001451739396 1067190147 /nfs/dbraw/zinc/19/01/47/1067190147.db2.gz IUYCZESPDTWGGJ-YLJYHZDGSA-N 0 0 468.554 4.725 20 5 JJBDRN CC[C@@H](NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001545841498 1067194444 /nfs/dbraw/zinc/19/44/44/1067194444.db2.gz KHLIWXODTCYQOQ-AUUYWEPGSA-N 0 0 453.442 4.612 20 5 JJBDRN O=[N+]([O-])c1ccc(OCc2noc(Cc3ccc(Br)cc3)n2)c(C(F)(F)F)c1 ZINC001458913499 1067194829 /nfs/dbraw/zinc/19/48/29/1067194829.db2.gz BUQDMFKPKSMOPV-UHFFFAOYSA-N 0 0 458.190 4.929 20 5 JJBDRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001458928544 1067200061 /nfs/dbraw/zinc/20/00/61/1067200061.db2.gz GIZYRORIGFIDCT-UHFFFAOYSA-N 0 0 458.467 4.965 20 5 JJBDRN CCc1ccc(C(=O)Nc2cc(OC)c(Br)cc2Br)cc1[N+](=O)[O-] ZINC001458930517 1067200390 /nfs/dbraw/zinc/20/03/90/1067200390.db2.gz KAHUEIOLAFGMRQ-UHFFFAOYSA-N 0 0 458.106 4.943 20 5 JJBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c1C ZINC001458941430 1067203947 /nfs/dbraw/zinc/20/39/47/1067203947.db2.gz DYLJWQNOPAVCRX-UHFFFAOYSA-N 0 0 450.886 4.548 20 5 JJBDRN COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC001458957427 1067208540 /nfs/dbraw/zinc/20/85/40/1067208540.db2.gz ZYFKJJOSWJFUTC-ZDUSSCGKSA-N 0 0 450.476 4.926 20 5 JJBDRN COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001458959024 1067209034 /nfs/dbraw/zinc/20/90/34/1067209034.db2.gz COHWSJUGGYRMCF-NRFANRHFSA-N 0 0 457.533 4.523 20 5 JJBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC001452180862 1067212777 /nfs/dbraw/zinc/21/27/77/1067212777.db2.gz FYZSDZBJTXMZLK-UHFFFAOYSA-N 0 0 454.527 4.842 20 5 JJBDRN Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001458990425 1067222145 /nfs/dbraw/zinc/22/21/45/1067222145.db2.gz UKAWOYDCDMTUFN-UHFFFAOYSA-N 0 0 457.293 4.874 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)NCCCCc2nc(-c3ccccn3)cs2)cc1SC ZINC001452498810 1067229142 /nfs/dbraw/zinc/22/91/42/1067229142.db2.gz UPQZZJSECJQYBG-UHFFFAOYSA-N 0 0 458.565 4.597 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCCCC[C@H]1CO ZINC001452528999 1067231936 /nfs/dbraw/zinc/23/19/36/1067231936.db2.gz DXYIIKXRRKOEMA-BXWQOUMASA-N 0 0 451.548 4.899 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCCCC[C@@H]1CO ZINC001452529010 1067231986 /nfs/dbraw/zinc/23/19/86/1067231986.db2.gz DXYIIKXRRKOEMA-WORNYLJVSA-N 0 0 451.548 4.899 20 5 JJBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001452535491 1067232498 /nfs/dbraw/zinc/23/24/98/1067232498.db2.gz WZMRLDHLHMIPCD-UHFFFAOYSA-N 0 0 453.886 4.759 20 5 JJBDRN O=[N+]([O-])c1ccc(I)c(OCc2csc(Nc3ccccc3)n2)c1 ZINC001459030131 1067233218 /nfs/dbraw/zinc/23/32/18/1067233218.db2.gz GRBSGVIRCHWZIX-UHFFFAOYSA-N 0 0 453.261 4.979 20 5 JJBDRN O=C(COc1cc([N+](=O)[O-])ccc1Br)NCC1(c2ccc(F)cc2)CCCC1 ZINC001459030551 1067233286 /nfs/dbraw/zinc/23/32/86/1067233286.db2.gz HTFWAYIYMPHJGM-UHFFFAOYSA-N 0 0 451.292 4.503 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cc1C ZINC001459037136 1067235689 /nfs/dbraw/zinc/23/56/89/1067235689.db2.gz IHQIXBKJESAWQF-AWEZNQCLSA-N 0 0 458.312 4.779 20 5 JJBDRN Cn1c(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1C(F)F ZINC001459039834 1067236751 /nfs/dbraw/zinc/23/67/51/1067236751.db2.gz LCGMIFVUPNLEAR-AWEZNQCLSA-N 0 0 453.858 4.786 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ccc(SC(F)F)cc1 ZINC001459069991 1067243810 /nfs/dbraw/zinc/24/38/10/1067243810.db2.gz ISFNXWXJGOPKMG-UHFFFAOYSA-N 0 0 451.188 4.733 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1cc(-c2ccccc2)ns1 ZINC001459076137 1067245771 /nfs/dbraw/zinc/24/57/71/1067245771.db2.gz SBQSXLUHNVSOSY-UHFFFAOYSA-N 0 0 452.229 4.542 20 5 JJBDRN Cc1ccc(SCCC(=O)Oc2cc([N+](=O)[O-])ccc2I)cc1C ZINC001459076039 1067245800 /nfs/dbraw/zinc/24/58/00/1067245800.db2.gz RWOIZOSNILDJKY-UHFFFAOYSA-N 0 0 457.289 4.904 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccsc2)CC1 ZINC001459156098 1067263192 /nfs/dbraw/zinc/26/31/92/1067263192.db2.gz DIGOGADKXCJZRG-UHFFFAOYSA-N 0 0 456.305 4.589 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001453110947 1067279211 /nfs/dbraw/zinc/27/92/11/1067279211.db2.gz JCDKXXHRXHCYSZ-SJLPKXTDSA-N 0 0 477.920 4.910 20 5 JJBDRN O=C(NC1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1)C1CC1 ZINC001459281728 1067281839 /nfs/dbraw/zinc/28/18/39/1067281839.db2.gz RVERZSMBPSBYID-UHFFFAOYSA-N 0 0 459.955 4.530 20 5 JJBDRN Cc1c(Br)ccc(OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1[N+](=O)[O-] ZINC001459286813 1067283150 /nfs/dbraw/zinc/28/31/50/1067283150.db2.gz MAZVVBDZDLDNIK-GFCCVEGCSA-N 0 0 451.342 4.962 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)s1 ZINC001459316384 1067292075 /nfs/dbraw/zinc/29/20/75/1067292075.db2.gz WPQZEQUNRDHIGK-FOIQADDNSA-N 0 0 455.502 4.551 20 5 JJBDRN CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001453268449 1067292616 /nfs/dbraw/zinc/29/26/16/1067292616.db2.gz OXNFMLZGUBECHU-UHFFFAOYSA-N 0 0 457.206 4.525 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001459317881 1067293103 /nfs/dbraw/zinc/29/31/03/1067293103.db2.gz BFTJBLNCSKRWAC-YOEHRIQHSA-N 0 0 452.429 4.985 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(Cl)c3ccccc32)cc1OC ZINC001459340251 1067298464 /nfs/dbraw/zinc/29/84/64/1067298464.db2.gz VJGJXOYEYBTMMD-CQSZACIVSA-N 0 0 458.898 4.926 20 5 JJBDRN CCOc1cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])cc1OC ZINC001459370634 1067305258 /nfs/dbraw/zinc/30/52/58/1067305258.db2.gz PRIOFZODKIJELC-HXUWFJFHSA-N 0 0 456.392 4.732 20 5 JJBDRN CNc1ccc(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC001453418209 1067305401 /nfs/dbraw/zinc/30/54/01/1067305401.db2.gz NFPMERSGZRCVHZ-UHFFFAOYSA-N 0 0 452.158 4.689 20 5 JJBDRN Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001459372295 1067305799 /nfs/dbraw/zinc/30/57/99/1067305799.db2.gz KLLPBUAJBFJJAZ-UHFFFAOYSA-N 0 0 456.252 4.532 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H](CO)CC1CC1 ZINC001453446426 1067306857 /nfs/dbraw/zinc/30/68/57/1067306857.db2.gz QMHKSUZLGGYGED-LPGQDOADSA-N 0 0 451.548 4.660 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1[N+](=O)[O-] ZINC001459404585 1067314128 /nfs/dbraw/zinc/31/41/28/1067314128.db2.gz QYFZNLRTQDSWPO-UHFFFAOYSA-N 0 0 450.186 4.834 20 5 JJBDRN COc1ccc(CN(CC2CCC2)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC001459409408 1067315364 /nfs/dbraw/zinc/31/53/64/1067315364.db2.gz PTWPHJAZFZKPQT-UHFFFAOYSA-N 0 0 450.894 4.776 20 5 JJBDRN CN1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)Cc2ccccc21 ZINC001459422715 1067320825 /nfs/dbraw/zinc/32/08/25/1067320825.db2.gz CWZYUOVLMJQHAV-HSZRJFAPSA-N 0 0 450.926 4.880 20 5 JJBDRN CN1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)Cc2ccccc21 ZINC001459422719 1067320903 /nfs/dbraw/zinc/32/09/03/1067320903.db2.gz CWZYUOVLMJQHAV-QHCPKHFHSA-N 0 0 450.926 4.880 20 5 JJBDRN COc1ccc(CN(CC2CC2)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC001459509363 1067341016 /nfs/dbraw/zinc/34/10/16/1067341016.db2.gz MAKXQLZIWLRCCD-UHFFFAOYSA-N 0 0 453.520 4.788 20 5 JJBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001459592572 1067359201 /nfs/dbraw/zinc/35/92/01/1067359201.db2.gz ZNHBMDAPJSJFQN-GFCCVEGCSA-N 0 0 456.292 4.915 20 5 JJBDRN CC(C)(C)[C@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ccccc21 ZINC001459681273 1067381922 /nfs/dbraw/zinc/38/19/22/1067381922.db2.gz LTYJJCVEPJOVOX-AWEZNQCLSA-N 0 0 450.276 4.990 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC001459687424 1067383899 /nfs/dbraw/zinc/38/38/99/1067383899.db2.gz UZNDMDLTYQXYSR-UHFFFAOYSA-N 0 0 458.883 4.699 20 5 JJBDRN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001459715891 1067393943 /nfs/dbraw/zinc/39/39/43/1067393943.db2.gz SPUYIVSDHWHKAF-UHFFFAOYSA-N 0 0 452.736 4.861 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1SC ZINC001459727876 1067397711 /nfs/dbraw/zinc/39/77/11/1067397711.db2.gz IUFCDQCSGPCKBF-LBPRGKRZSA-N 0 0 456.351 4.641 20 5 JJBDRN Cc1cc(CSc2ncccc2C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC001459736236 1067399865 /nfs/dbraw/zinc/39/98/65/1067399865.db2.gz OENGBRZWAWSNPN-UHFFFAOYSA-N 0 0 452.414 4.527 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCC(Oc2ncccc2F)CC1 ZINC001459752234 1067406977 /nfs/dbraw/zinc/40/69/77/1067406977.db2.gz DGKQEXRYMDNFLM-UHFFFAOYSA-N 0 0 453.495 4.964 20 5 JJBDRN O=C(NC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1)OCc1ccccc1 ZINC001459754585 1067407888 /nfs/dbraw/zinc/40/78/88/1067407888.db2.gz WNXMSFIHXQWHPV-QGZVFWFLSA-N 0 0 453.520 4.588 20 5 JJBDRN CC[C@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCN(C(=O)OC(C)(C)C)C1 ZINC001459760337 1067411472 /nfs/dbraw/zinc/41/14/72/1067411472.db2.gz UNWCRMXZCDXEDD-IBGZPJMESA-N 0 0 456.337 4.641 20 5 JJBDRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001459777642 1067417187 /nfs/dbraw/zinc/41/71/87/1067417187.db2.gz XGESJGWYXWNRJX-UHFFFAOYSA-N 0 0 450.282 4.539 20 5 JJBDRN CN(Cc1cccc([N+](=O)[O-])c1Br)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459798474 1067428677 /nfs/dbraw/zinc/42/86/77/1067428677.db2.gz RQUULHSNLQWNOM-XYPWUTKMSA-N 0 0 454.365 4.720 20 5 JJBDRN O=C(Nc1cc2ccccc2nc1Br)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001459830720 1067443728 /nfs/dbraw/zinc/44/37/28/1067443728.db2.gz XUYJRBHYNVYPTO-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN O=C(NCC(F)(F)C(F)F)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001459834753 1067445930 /nfs/dbraw/zinc/44/59/30/1067445930.db2.gz SKJAENMDZMCPAA-UHFFFAOYSA-N 0 0 453.436 4.684 20 5 JJBDRN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1I ZINC001459853792 1067458217 /nfs/dbraw/zinc/45/82/17/1067458217.db2.gz DRNKUXDLZSQLIJ-LSDHHAIUSA-N 0 0 450.276 4.656 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ncc2c(n1)-c1ccccc1SC2 ZINC001459880155 1067470838 /nfs/dbraw/zinc/47/08/38/1067470838.db2.gz JZOFVQDBTMFLDR-UHFFFAOYSA-N 0 0 457.309 4.697 20 5 JJBDRN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001459896676 1067478179 /nfs/dbraw/zinc/47/81/79/1067478179.db2.gz AGWLWXRGNJLDCE-SESVDKBCSA-N 0 0 472.383 4.863 20 5 JJBDRN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001459952677 1067504744 /nfs/dbraw/zinc/50/47/44/1067504744.db2.gz PBRVVBHPCICGMM-SUMWQHHRSA-N 0 0 450.276 4.813 20 5 JJBDRN O=C(N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001459974496 1067511757 /nfs/dbraw/zinc/51/17/57/1067511757.db2.gz JMZWIPOKPRYXTB-HNNXBMFYSA-N 0 0 457.657 4.826 20 5 JJBDRN Cc1nc(-c2cccs2)ccc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460005871 1067523980 /nfs/dbraw/zinc/52/39/80/1067523980.db2.gz PLYTUJFLXHEIRW-UHFFFAOYSA-N 0 0 458.337 4.988 20 5 JJBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC001460014392 1067527628 /nfs/dbraw/zinc/52/76/28/1067527628.db2.gz MJPODIZZPSPRML-UHFFFAOYSA-N 0 0 452.736 4.672 20 5 JJBDRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1OC ZINC001460017634 1067529179 /nfs/dbraw/zinc/52/91/79/1067529179.db2.gz HSUSFAKHYJCEMJ-OPAMFIHVSA-N 0 0 459.930 4.975 20 5 JJBDRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1OC ZINC001460017646 1067529336 /nfs/dbraw/zinc/52/93/36/1067529336.db2.gz HSUSFAKHYJCEMJ-ZHRRBRCNSA-N 0 0 459.930 4.975 20 5 JJBDRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1OC ZINC001460017607 1067529382 /nfs/dbraw/zinc/52/93/82/1067529382.db2.gz HSUSFAKHYJCEMJ-AOMKIAJQSA-N 0 0 459.930 4.975 20 5 JJBDRN CCOc1cc(N2CCN(Cc3ccc(Br)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC001460042924 1067537573 /nfs/dbraw/zinc/53/75/73/1067537573.db2.gz BRMLRJAGAXMLMH-UHFFFAOYSA-N 0 0 454.752 4.732 20 5 JJBDRN CN(C(=O)CN[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC001460083812 1067549734 /nfs/dbraw/zinc/54/97/34/1067549734.db2.gz WLGUKTALBNVRBC-GOSISDBHSA-N 0 0 455.729 4.740 20 5 JJBDRN O=C(Nc1cccc2c(Br)ccnc12)c1sc(Br)cc1[N+](=O)[O-] ZINC001460113274 1067557575 /nfs/dbraw/zinc/55/75/75/1067557575.db2.gz DJWUPIJAVJTQDI-UHFFFAOYSA-N 0 0 457.103 4.982 20 5 JJBDRN CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cs2)cc1 ZINC001460128186 1067560558 /nfs/dbraw/zinc/56/05/58/1067560558.db2.gz IFAYRZGYSDXEGT-GOSISDBHSA-N 0 0 457.577 4.501 20 5 JJBDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460135498 1067561949 /nfs/dbraw/zinc/56/19/49/1067561949.db2.gz BEIOLWGCKUTAHN-KPZWWZAWSA-N 0 0 457.836 4.668 20 5 JJBDRN C[C@@]1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1(Cl)Cl ZINC001460156751 1067566431 /nfs/dbraw/zinc/56/64/31/1067566431.db2.gz BODWCNVTJZJBBQ-INIZCTEOSA-N 0 0 454.276 4.530 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc2ccc(Br)cn21 ZINC001460160226 1067567628 /nfs/dbraw/zinc/56/76/28/1067567628.db2.gz IVYDHSRGMLHDMO-UHFFFAOYSA-N 0 0 450.318 4.545 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)cc1SC ZINC001460229087 1067584548 /nfs/dbraw/zinc/58/45/48/1067584548.db2.gz CQCUKIPHJBHTPK-CYBMUJFWSA-N 0 0 455.305 4.644 20 5 JJBDRN COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460240410 1067589221 /nfs/dbraw/zinc/58/92/21/1067589221.db2.gz NBIMDGMFKVQZNQ-GOEBONIOSA-N 0 0 452.429 4.985 20 5 JJBDRN CO[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC001460287697 1067599310 /nfs/dbraw/zinc/59/93/10/1067599310.db2.gz YQHOXBMZVCNMHF-SANMLTNESA-N 0 0 451.567 4.599 20 5 JJBDRN O=[N+]([O-])c1ccccc1CN(Cc1ncc(Br)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC001460304797 1067603284 /nfs/dbraw/zinc/60/32/84/1067603284.db2.gz SAXDLIVRGAJBAD-WKILWMFISA-N 0 0 454.752 4.711 20 5 JJBDRN CS(=O)(=O)c1cc(C(=O)OCc2ccccc2SCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001460426581 1067632706 /nfs/dbraw/zinc/63/27/06/1067632706.db2.gz MRHLONVECNZUHF-UHFFFAOYSA-N 0 0 457.529 4.648 20 5 JJBDRN CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001460483719 1067643539 /nfs/dbraw/zinc/64/35/39/1067643539.db2.gz ZMMZAQVPOVFPJA-UHFFFAOYSA-N 0 0 452.736 4.752 20 5 JJBDRN Cc1c(NC(=O)[C@@H](C)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cccc1[N+](=O)[O-] ZINC001460510123 1067646625 /nfs/dbraw/zinc/64/66/25/1067646625.db2.gz KELIHJUVUZPWER-QGZVFWFLSA-N 0 0 455.559 4.616 20 5 JJBDRN Cc1csc([C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC001460530451 1067651737 /nfs/dbraw/zinc/65/17/37/1067651737.db2.gz MOFMACGPXGPIAR-JKDFXYPNSA-N 0 0 456.490 4.875 20 5 JJBDRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001460574193 1067659067 /nfs/dbraw/zinc/65/90/67/1067659067.db2.gz CEUHKJKCJKFZOB-MOPGFXCFSA-N 0 0 453.857 4.950 20 5 JJBDRN COc1cc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC001460579923 1067660551 /nfs/dbraw/zinc/66/05/51/1067660551.db2.gz HYMVJMGBGFLPPH-HNNXBMFYSA-N 0 0 451.454 4.794 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)N[C@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001460611304 1067669820 /nfs/dbraw/zinc/66/98/20/1067669820.db2.gz CULYJAXJOHGIRO-GBXCKJPGSA-N 0 0 457.502 4.668 20 5 JJBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC001460634192 1067680186 /nfs/dbraw/zinc/68/01/86/1067680186.db2.gz UMGXESLOCVMJEE-UHFFFAOYSA-N 0 0 457.252 4.555 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1SC ZINC001460636154 1067680586 /nfs/dbraw/zinc/68/05/86/1067680586.db2.gz BIQFJXOLUCMFNH-UHFFFAOYSA-N 0 0 459.524 4.727 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669331 1067694558 /nfs/dbraw/zinc/69/45/58/1067694558.db2.gz WVZYOXKQLJYGEN-CRAIPNDOSA-N 0 0 454.365 4.579 20 5 JJBDRN CCN(CC)c1ccc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)sc2c1 ZINC001460672911 1067695611 /nfs/dbraw/zinc/69/56/11/1067695611.db2.gz GWEUBSBDYPFJNS-UHFFFAOYSA-N 0 0 453.568 4.906 20 5 JJBDRN O=C(Nc1cccc2c1OCC(=O)N2)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001460677726 1067698100 /nfs/dbraw/zinc/69/81/00/1067698100.db2.gz WPKOVVIDJIZUNY-UHFFFAOYSA-N 0 0 455.879 4.983 20 5 JJBDRN COC(=O)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001460677528 1067698140 /nfs/dbraw/zinc/69/81/40/1067698140.db2.gz UMAXVQXFKIYIGQ-LIRRHRJNSA-N 0 0 456.882 4.589 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001460690631 1067702371 /nfs/dbraw/zinc/70/23/71/1067702371.db2.gz MEBWYNVBHWFYCE-UHFFFAOYSA-N 0 0 455.312 4.846 20 5 JJBDRN COC(=O)[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001460706472 1067705975 /nfs/dbraw/zinc/70/59/75/1067705975.db2.gz YMWUNJLVMAWTNV-WOJBJXKFSA-N 0 0 462.527 4.775 20 5 JJBDRN O=C(CN1CCCSC[C@@H]1c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460709378 1067706346 /nfs/dbraw/zinc/70/63/46/1067706346.db2.gz MRPCUTKXMSTLNY-HXUWFJFHSA-N 0 0 454.577 4.837 20 5 JJBDRN CCOC(=O)c1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 ZINC001460721553 1067709543 /nfs/dbraw/zinc/70/95/43/1067709543.db2.gz BYTGDEQYPCMDMW-QLFBSQMISA-N 0 0 459.568 4.636 20 5 JJBDRN C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001460744425 1067714171 /nfs/dbraw/zinc/71/41/71/1067714171.db2.gz ISKCFAXRCBQESL-WQTXXOFMSA-N 0 0 471.529 4.747 20 5 JJBDRN CCOC(=O)[C@@]1(F)CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1CC ZINC001460755381 1067717164 /nfs/dbraw/zinc/71/71/64/1067717164.db2.gz PSEGZUHQVVIMDF-LERMDLETSA-N 0 0 477.920 4.541 20 5 JJBDRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001460832225 1067731414 /nfs/dbraw/zinc/73/14/14/1067731414.db2.gz OJWLHFKBOUEMKO-QZTJIDSGSA-N 0 0 459.568 4.786 20 5 JJBDRN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 ZINC001460842716 1067733045 /nfs/dbraw/zinc/73/30/45/1067733045.db2.gz YOIUAZOGRHQBEL-HNNXBMFYSA-N 0 0 450.447 4.925 20 5 JJBDRN Cc1ccc(Oc2ccccc2CCNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC001460877244 1067740424 /nfs/dbraw/zinc/74/04/24/1067740424.db2.gz MRSRVUYSHQPFFU-UHFFFAOYSA-N 0 0 456.502 4.913 20 5 JJBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C(=O)c2ccccc2Cl)CC1 ZINC001460915313 1067747470 /nfs/dbraw/zinc/74/74/70/1067747470.db2.gz DKHYHWNAZYDXOI-ZDUSSCGKSA-N 0 0 450.322 4.824 20 5 JJBDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1csc(Cc2cccc(F)c2)n1 ZINC001460918360 1067747673 /nfs/dbraw/zinc/74/76/73/1067747673.db2.gz XJKNMSDIPKXKSJ-KRWDZBQOSA-N 0 0 457.380 4.954 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001461007027 1067761275 /nfs/dbraw/zinc/76/12/75/1067761275.db2.gz JLOVOEXIDKNJIJ-WMZOPIPTSA-N 0 0 457.914 4.779 20 5 JJBDRN Cc1nc(-c2cc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc(C(F)(F)F)c2)n[nH]1 ZINC001461107394 1067782436 /nfs/dbraw/zinc/78/24/36/1067782436.db2.gz DWQPWZKXPZYBKX-UHFFFAOYSA-N 0 0 457.315 4.561 20 5 JJBDRN COc1cc(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461109843 1067783798 /nfs/dbraw/zinc/78/37/98/1067783798.db2.gz ZPQPLLPGIGXLLA-MAUKXSAKSA-N 0 0 459.568 4.927 20 5 JJBDRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001461186247 1067795280 /nfs/dbraw/zinc/79/52/80/1067795280.db2.gz SGLWAPIHZKCJJU-HNNXBMFYSA-N 0 0 452.438 4.842 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)cc1[N+](=O)[O-] ZINC001461227083 1067804540 /nfs/dbraw/zinc/80/45/40/1067804540.db2.gz AVUSBWTUXOMRCF-UHFFFAOYSA-N 0 0 455.408 4.550 20 5 JJBDRN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001461274005 1067816424 /nfs/dbraw/zinc/81/64/24/1067816424.db2.gz GYJHWXWWLACYEB-CQSZACIVSA-N 0 0 451.570 4.703 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21 ZINC001461399025 1067846209 /nfs/dbraw/zinc/84/62/09/1067846209.db2.gz SQCYLERTLVQGLD-MRXNPFEDSA-N 0 0 457.552 4.803 20 5 JJBDRN Cc1ccc(Sc2ccc(CNc3ccc(CN4CCOCC4)cn3)cc2[N+](=O)[O-])cc1 ZINC001461410864 1067849157 /nfs/dbraw/zinc/84/91/57/1067849157.db2.gz YDFKLDDYUIFULX-UHFFFAOYSA-N 0 0 450.564 4.894 20 5 JJBDRN CCOc1cc(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)c([N+](=O)[O-])cc1OC ZINC001461453011 1067860261 /nfs/dbraw/zinc/86/02/61/1067860261.db2.gz XGXINFKDCAYWNM-UHFFFAOYSA-N 0 0 456.495 4.550 20 5 JJBDRN C[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001461480491 1067870534 /nfs/dbraw/zinc/87/05/34/1067870534.db2.gz UEGPMNAIRAWZKE-BSLALVQMSA-N 0 0 471.529 4.747 20 5 JJBDRN COc1cc(CN[C@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461604459 1067899765 /nfs/dbraw/zinc/89/97/65/1067899765.db2.gz GJBRNHOESSMMIM-FQEVSTJZSA-N 0 0 450.491 4.804 20 5 JJBDRN CC[C@@H]1[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001461653658 1067910934 /nfs/dbraw/zinc/91/09/34/1067910934.db2.gz GSJPESYLVXLWAM-UONOGXRCSA-N 0 0 477.505 4.610 20 5 JJBDRN COC(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC001461653743 1067910993 /nfs/dbraw/zinc/91/09/93/1067910993.db2.gz HTHDESUDQCSWCN-HXUWFJFHSA-N 0 0 456.907 4.884 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC001461659345 1067912138 /nfs/dbraw/zinc/91/21/38/1067912138.db2.gz BHDWDCKNZTXKBY-LLVKDONJSA-N 0 0 451.704 4.856 20 5 JJBDRN O=C(Nc1cccc(Sc2ccccc2)c1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC001461664686 1067913442 /nfs/dbraw/zinc/91/34/42/1067913442.db2.gz JUAQPUSHMAZKMV-UHFFFAOYSA-N 0 0 453.432 4.678 20 5 JJBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001461750960 1067930646 /nfs/dbraw/zinc/93/06/46/1067930646.db2.gz CJKXQJXQXWINMR-OAHLLOKOSA-N 0 0 456.134 4.871 20 5 JJBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461754353 1067930902 /nfs/dbraw/zinc/93/09/02/1067930902.db2.gz KDXHQNLQXWENPA-WBMJQRKESA-N 0 0 455.736 4.916 20 5 JJBDRN C[C@@H]1OCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC001461784213 1067936832 /nfs/dbraw/zinc/93/68/32/1067936832.db2.gz BECXOKBXFCYNLU-SGTLLEGYSA-N 0 0 457.836 4.652 20 5 JJBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccc(Br)cc2O1 ZINC001461816073 1067941354 /nfs/dbraw/zinc/94/13/54/1067941354.db2.gz RHHQGSAPOVICOQ-VIFPVBQESA-N 0 0 456.090 4.548 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccnc1C(=O)c1ccc(F)cc1 ZINC001461878800 1067952907 /nfs/dbraw/zinc/95/29/07/1067952907.db2.gz SWQGQMNQFIMZMU-UHFFFAOYSA-N 0 0 458.243 4.683 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001461919911 1067961018 /nfs/dbraw/zinc/96/10/18/1067961018.db2.gz RDFZTOKNWDRPSX-UHFFFAOYSA-N 0 0 451.626 4.888 20 5 JJBDRN O=C(NCC1(C(F)(F)F)CCCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001461936287 1067964057 /nfs/dbraw/zinc/96/40/57/1067964057.db2.gz LCWKVOXHQKZRQX-UHFFFAOYSA-N 0 0 451.232 4.940 20 5 JJBDRN CCCN(C)c1ccccc1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC001461972970 1067972441 /nfs/dbraw/zinc/97/24/41/1067972441.db2.gz NANHPEJSMWWAGS-UHFFFAOYSA-N 0 0 456.524 4.737 20 5 JJBDRN COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)Cc2ccccc21 ZINC001461982096 1067974399 /nfs/dbraw/zinc/97/43/99/1067974399.db2.gz WCJPWGYWCYRVFS-NRFANRHFSA-N 0 0 454.548 4.790 20 5 JJBDRN COC(=O)c1cc(I)cc(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC001462022164 1067982775 /nfs/dbraw/zinc/98/27/75/1067982775.db2.gz CNLGSZANQLISIS-SDQBBNPISA-N 0 0 452.248 4.501 20 5 JJBDRN COC(=O)[C@](C)(NC(=O)c1ccc(SCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001462022226 1067982874 /nfs/dbraw/zinc/98/28/74/1067982874.db2.gz NMQIRRUVUISPSE-XMMPIXPASA-N 0 0 450.516 4.705 20 5 JJBDRN COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)cc1[N+](=O)[O-] ZINC001462050382 1067990720 /nfs/dbraw/zinc/99/07/20/1067990720.db2.gz ZUVKZSRZNDUHAE-KRWDZBQOSA-N 0 0 454.548 4.816 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1[N+](=O)[O-] ZINC001462066484 1067995079 /nfs/dbraw/zinc/99/50/79/1067995079.db2.gz QVXFUMMPWJEYBZ-UHFFFAOYSA-N 0 0 455.393 4.590 20 5 JJBDRN COc1ccc(OC)c2sc(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)nc21 ZINC001462358682 1068058570 /nfs/dbraw/zinc/05/85/70/1068058570.db2.gz CHOLBVOVVQWKGH-UHFFFAOYSA-N 0 0 452.286 4.545 20 5 JJBDRN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001462398640 1068065392 /nfs/dbraw/zinc/06/53/92/1068065392.db2.gz BTYZHXGEJCJFBR-GOSISDBHSA-N 0 0 458.268 4.520 20 5 JJBDRN COc1cc(C(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1F ZINC001462408447 1068067421 /nfs/dbraw/zinc/06/74/21/1068067421.db2.gz BCOUNXCLXIDZDR-LJQANCHMSA-N 0 0 459.474 4.747 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001462423639 1068071824 /nfs/dbraw/zinc/07/18/24/1068071824.db2.gz APPUNAZXSUBJPG-HNNXBMFYSA-N 0 0 455.393 4.700 20 5 JJBDRN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001546131474 1068081508 /nfs/dbraw/zinc/08/15/08/1068081508.db2.gz BLGKAFJJBSEUSS-HXUWFJFHSA-N 0 0 451.523 4.534 20 5 JJBDRN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001462517667 1068090140 /nfs/dbraw/zinc/09/01/40/1068090140.db2.gz PIJUPVOLIMBADK-UHFFFAOYSA-N 0 0 459.465 4.913 20 5 JJBDRN COc1cccc2c1OCCC[C@@H]2NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001462536685 1068093572 /nfs/dbraw/zinc/09/35/72/1068093572.db2.gz WOPLIYMWCJNPAH-HLIPFELVSA-N 0 0 453.539 4.729 20 5 JJBDRN O=C(NCC1(c2ccc(Br)cc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001462635077 1068119557 /nfs/dbraw/zinc/11/95/57/1068119557.db2.gz PJHYKVBFRINQHE-UHFFFAOYSA-N 0 0 458.337 4.942 20 5 JJBDRN O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001462672037 1068128626 /nfs/dbraw/zinc/12/86/26/1068128626.db2.gz UCJVFURKVUUEOD-CXAGYDPISA-N 0 0 467.259 4.866 20 5 JJBDRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001462732054 1068147289 /nfs/dbraw/zinc/14/72/89/1068147289.db2.gz MORSXCJNCXTRSF-KRWDZBQOSA-N 0 0 453.520 4.505 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462754132 1068156537 /nfs/dbraw/zinc/15/65/37/1068156537.db2.gz OBSJACYFOGLSAX-JOCHJYFZSA-N 0 0 458.561 4.612 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001462756645 1068156972 /nfs/dbraw/zinc/15/69/72/1068156972.db2.gz XHFIFYJTBHWIOC-NRFANRHFSA-N 0 0 458.561 4.612 20 5 JJBDRN CCOc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cc1OCC ZINC001462756355 1068157065 /nfs/dbraw/zinc/15/70/65/1068157065.db2.gz VHSWMPWHAVFDRR-FQEVSTJZSA-N 0 0 456.948 4.721 20 5 JJBDRN O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001462791872 1068168448 /nfs/dbraw/zinc/16/84/48/1068168448.db2.gz PJXZEUNSBGCVJK-UHFFFAOYSA-N 0 0 457.364 4.603 20 5 JJBDRN CCC(C)(C)C1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC001462790746 1068168548 /nfs/dbraw/zinc/16/85/48/1068168548.db2.gz FHVDBOFQCOOEAF-UHFFFAOYSA-N 0 0 451.358 4.770 20 5 JJBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001462833133 1068183182 /nfs/dbraw/zinc/18/31/82/1068183182.db2.gz QKXKTOQASQTREF-FOIQADDNSA-N 0 0 457.552 4.731 20 5 JJBDRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001462834151 1068183770 /nfs/dbraw/zinc/18/37/70/1068183770.db2.gz UUWVCNAGOVBFIP-UHFFFAOYSA-N 0 0 454.454 4.881 20 5 JJBDRN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001462851998 1068190520 /nfs/dbraw/zinc/19/05/20/1068190520.db2.gz VFJQCZPOIUXBAW-HNNXBMFYSA-N 0 0 455.374 4.703 20 5 JJBDRN CC(C)(C)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1 ZINC001462853062 1068191147 /nfs/dbraw/zinc/19/11/47/1068191147.db2.gz XSNSQWOQHDMLRO-MRXNPFEDSA-N 0 0 459.337 4.952 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001462855070 1068192508 /nfs/dbraw/zinc/19/25/08/1068192508.db2.gz TVXRQHAYUHBOBR-ZDUSSCGKSA-N 0 0 454.335 4.951 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC001462873866 1068198508 /nfs/dbraw/zinc/19/85/08/1068198508.db2.gz HHNQYMKXAGDEOK-JOCHJYFZSA-N 0 0 452.532 4.790 20 5 JJBDRN CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001462946128 1068224468 /nfs/dbraw/zinc/22/44/68/1068224468.db2.gz HSKATLBRSCXIQM-UHFFFAOYSA-N 0 0 451.358 4.722 20 5 JJBDRN Cc1cc2c(cc1Br)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC001463005470 1068246819 /nfs/dbraw/zinc/24/68/19/1068246819.db2.gz AMXCIZUQDKKCBR-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001463084307 1068281892 /nfs/dbraw/zinc/28/18/92/1068281892.db2.gz FCSWYTYLSXGZHE-SEHCQNQUSA-N 0 0 459.749 4.686 20 5 JJBDRN Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1C ZINC001463142055 1068301278 /nfs/dbraw/zinc/30/12/78/1068301278.db2.gz GEIUZXHVMBQJRI-MRXNPFEDSA-N 0 0 457.321 4.639 20 5 JJBDRN COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC001463144093 1068301755 /nfs/dbraw/zinc/30/17/55/1068301755.db2.gz NLKJRIKWHBUOEI-MRXNPFEDSA-N 0 0 452.960 4.517 20 5 JJBDRN CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463179765 1068310784 /nfs/dbraw/zinc/31/07/84/1068310784.db2.gz WRTWKIUNSHKFOS-QGZVFWFLSA-N 0 0 455.374 4.698 20 5 JJBDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001463251237 1068335076 /nfs/dbraw/zinc/33/50/76/1068335076.db2.gz MFUNOBVURKPNNX-WMZOPIPTSA-N 0 0 453.358 4.704 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H](C1CCCCC1)C2 ZINC001463297958 1068348519 /nfs/dbraw/zinc/34/85/19/1068348519.db2.gz QYIWIEQWAXZKJI-LJQANCHMSA-N 0 0 450.582 4.669 20 5 JJBDRN CC[C@H](Cc1ccccc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC001463308489 1068351650 /nfs/dbraw/zinc/35/16/50/1068351650.db2.gz QCSSWJMSMGDGAK-MRXNPFEDSA-N 0 0 455.374 4.698 20 5 JJBDRN Cc1ccc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(OCCCC(C)C)c1 ZINC001463312061 1068352093 /nfs/dbraw/zinc/35/20/93/1068352093.db2.gz XREJDFCJJZFKTA-UHFFFAOYSA-N 0 0 458.939 4.989 20 5 JJBDRN Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c1 ZINC001463320817 1068354965 /nfs/dbraw/zinc/35/49/65/1068354965.db2.gz HVXQLNAIZVSVSG-KRWDZBQOSA-N 0 0 453.358 4.808 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC001463327945 1068357678 /nfs/dbraw/zinc/35/76/78/1068357678.db2.gz MNRYGAHAQBVYPN-OAQYLSRUSA-N 0 0 456.495 4.539 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(C2(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)CC1 ZINC001463339679 1068361834 /nfs/dbraw/zinc/36/18/34/1068361834.db2.gz PQYYKYZXUDDXCS-UHFFFAOYSA-N 0 0 457.449 4.523 20 5 JJBDRN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 ZINC001463356938 1068369742 /nfs/dbraw/zinc/36/97/42/1068369742.db2.gz IIBMGQZAQRYQLN-UHFFFAOYSA-N 0 0 452.257 4.931 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC001463373138 1068375859 /nfs/dbraw/zinc/37/58/59/1068375859.db2.gz FCYPSWRXJZYDDO-SFHVURJKSA-N 0 0 453.358 4.957 20 5 JJBDRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001463391046 1068381682 /nfs/dbraw/zinc/38/16/82/1068381682.db2.gz DWCCWOVXYMXKHP-RPWUZVMVSA-N 0 0 452.532 4.664 20 5 JJBDRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001463391057 1068381790 /nfs/dbraw/zinc/38/17/90/1068381790.db2.gz DWCCWOVXYMXKHP-ZEQRLZLVSA-N 0 0 452.532 4.664 20 5 JJBDRN Cn1cc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)c2C(=O)OC(C)(C)C)cn1 ZINC001463425224 1068393365 /nfs/dbraw/zinc/39/33/65/1068393365.db2.gz PGYLANLOBNAWPV-DLBZAZTESA-N 0 0 468.535 4.754 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001463427745 1068393907 /nfs/dbraw/zinc/39/39/07/1068393907.db2.gz BNMMZHHKJOPKQX-CVEARBPZSA-N 0 0 458.458 4.579 20 5 JJBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC001463430204 1068394973 /nfs/dbraw/zinc/39/49/73/1068394973.db2.gz BSSOKQCDRBNBMI-HNNXBMFYSA-N 0 0 452.863 4.703 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC001463447998 1068400342 /nfs/dbraw/zinc/40/03/42/1068400342.db2.gz WWGPNAGXGDLXJI-UHFFFAOYSA-N 0 0 451.957 4.510 20 5 JJBDRN CCc1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001463498363 1068419728 /nfs/dbraw/zinc/41/97/28/1068419728.db2.gz FZVJXMYDEPKIAS-UHFFFAOYSA-N 0 0 455.113 4.994 20 5 JJBDRN Cc1ccc(S(=O)(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC001463511900 1068424617 /nfs/dbraw/zinc/42/46/17/1068424617.db2.gz KSILPWFOTMGGON-IBGZPJMESA-N 0 0 455.374 4.824 20 5 JJBDRN C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001463532506 1068429973 /nfs/dbraw/zinc/42/99/73/1068429973.db2.gz KTJBRCLJBHGMAE-JTQLQIEISA-N 0 0 456.364 4.714 20 5 JJBDRN CC(C)(CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 ZINC001463540068 1068434612 /nfs/dbraw/zinc/43/46/12/1068434612.db2.gz OJXZKGGHHQTXRZ-UHFFFAOYSA-N 0 0 454.829 4.662 20 5 JJBDRN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001463544363 1068436685 /nfs/dbraw/zinc/43/66/85/1068436685.db2.gz VZCBYYQPLRIWTB-UHFFFAOYSA-N 0 0 451.910 4.790 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1C ZINC001463613580 1068467091 /nfs/dbraw/zinc/46/70/91/1068467091.db2.gz ZQISEQUFIONSAC-QGZVFWFLSA-N 0 0 457.321 4.639 20 5 JJBDRN Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2Cl)c(C)c1[N+](=O)[O-] ZINC001463629534 1068474892 /nfs/dbraw/zinc/47/48/92/1068474892.db2.gz JXPWMBOAGPUOTQ-UHFFFAOYSA-N 0 0 456.904 4.980 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC001463684485 1068493032 /nfs/dbraw/zinc/49/30/32/1068493032.db2.gz RICRRFUEFSLSDT-CXAGYDPISA-N 0 0 453.358 4.828 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001463710899 1068501982 /nfs/dbraw/zinc/50/19/82/1068501982.db2.gz IRSAKLCNTKNTSX-WBVHZDCISA-N 0 0 453.358 4.610 20 5 JJBDRN CC(C)(C)OC(=O)CC1(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC1 ZINC001463742325 1068509725 /nfs/dbraw/zinc/50/97/25/1068509725.db2.gz OIHCZFQVMOSOAW-UHFFFAOYSA-N 0 0 454.479 4.655 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001463774921 1068521009 /nfs/dbraw/zinc/52/10/09/1068521009.db2.gz ZDMZRSNNBVHPRT-UHFFFAOYSA-N 0 0 457.600 4.671 20 5 JJBDRN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1N)C(c1ccccc1)c1ccccc1 ZINC001463802252 1068530226 /nfs/dbraw/zinc/53/02/26/1068530226.db2.gz IEZVNGBJQZDXGY-AWEZNQCLSA-N 0 0 454.324 4.890 20 5 JJBDRN Cn1ccnc1[C@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 ZINC001463818007 1068535028 /nfs/dbraw/zinc/53/50/28/1068535028.db2.gz AAURLNOFRDLFSV-OAHLLOKOSA-N 0 0 457.676 4.947 20 5 JJBDRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001463821579 1068535766 /nfs/dbraw/zinc/53/57/66/1068535766.db2.gz KZMLNXIRLVRSHW-UHFFFAOYSA-N 0 0 455.518 4.724 20 5 JJBDRN CN([C@H]1CCCC[C@H]1c1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463882078 1068554593 /nfs/dbraw/zinc/55/45/93/1068554593.db2.gz GOLJJAOYBXSBHS-OALUTQOASA-N 0 0 453.358 4.704 20 5 JJBDRN COc1cccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])c2c[nH]c3ccccc32)c1OC ZINC001463932536 1068569128 /nfs/dbraw/zinc/56/91/28/1068569128.db2.gz OQIYPBCFPNWZNT-HXUWFJFHSA-N 0 0 459.502 4.964 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1[N+](=O)[O-] ZINC001463954403 1068574433 /nfs/dbraw/zinc/57/44/33/1068574433.db2.gz IYNDNWOXRYZIGL-GFCCVEGCSA-N 0 0 454.335 4.527 20 5 JJBDRN CC[C@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001464056336 1068601789 /nfs/dbraw/zinc/60/17/89/1068601789.db2.gz QCPYNYDWBANTMX-LJQANCHMSA-N 0 0 453.358 4.533 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC001464232477 1068667162 /nfs/dbraw/zinc/66/71/62/1068667162.db2.gz CDVORESTJHSEEP-KRWDZBQOSA-N 0 0 453.358 4.808 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC001464232492 1068667714 /nfs/dbraw/zinc/66/77/14/1068667714.db2.gz CDVORESTJHSEEP-QGZVFWFLSA-N 0 0 453.358 4.808 20 5 JJBDRN Cc1cc(Br)ccc1[C@H]1CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001464240071 1068670714 /nfs/dbraw/zinc/67/07/14/1068670714.db2.gz PUMLYVDOMMGWTL-QGZVFWFLSA-N 0 0 453.358 4.808 20 5 JJBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)c1 ZINC001464262220 1068679929 /nfs/dbraw/zinc/67/99/29/1068679929.db2.gz ZBOSSTNEWOHSGU-QGZVFWFLSA-N 0 0 459.749 4.678 20 5 JJBDRN O=C(C[C@@H]1CCc2ccccc2C1)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464289275 1068692722 /nfs/dbraw/zinc/69/27/22/1068692722.db2.gz NKZQKBKXMUMYJL-AUSIDOKSSA-N 0 0 450.535 4.718 20 5 JJBDRN Cc1ccc2c(c1)S[C@H](C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001464289055 1068692913 /nfs/dbraw/zinc/69/29/13/1068692913.db2.gz MUIFULKXPNPNBL-KNQAVFIVSA-N 0 0 454.548 4.548 20 5 JJBDRN COc1ccc(S(=O)(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1[N+](=O)[O-] ZINC001464304427 1068698396 /nfs/dbraw/zinc/69/83/96/1068698396.db2.gz YOAKJEDAEKYORM-INIZCTEOSA-N 0 0 458.458 4.579 20 5 JJBDRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464449435 1068750106 /nfs/dbraw/zinc/75/01/06/1068750106.db2.gz JBAWQBUWRLMBDR-UHFFFAOYSA-N 0 0 455.511 4.629 20 5 JJBDRN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001464591732 1068793171 /nfs/dbraw/zinc/79/31/71/1068793171.db2.gz XAMWPEDCTKANSU-UHFFFAOYSA-N 0 0 454.408 4.942 20 5 JJBDRN CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001464633940 1068805811 /nfs/dbraw/zinc/80/58/11/1068805811.db2.gz FWRPFOKIOMQMCS-LJQANCHMSA-N 0 0 458.946 4.776 20 5 JJBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001464648549 1068811171 /nfs/dbraw/zinc/81/11/71/1068811171.db2.gz LGLALKQOZRSHRP-GOSISDBHSA-N 0 0 457.328 4.633 20 5 JJBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]12 ZINC001164405119 718849562 /nfs/dbraw/zinc/84/95/62/718849562.db2.gz KWNAMCNENJEEJL-IAGOWNOFSA-N 0 0 456.836 4.666 20 5 JJBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]12 ZINC001164405123 718849634 /nfs/dbraw/zinc/84/96/34/718849634.db2.gz KWNAMCNENJEEJL-SJORKVTESA-N 0 0 456.836 4.666 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164662925 719355781 /nfs/dbraw/zinc/35/57/81/719355781.db2.gz AVSONDOITKTSFI-UHFFFAOYSA-N 0 0 468.561 4.838 20 5 JJBDRN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164678594 719529400 /nfs/dbraw/zinc/52/94/00/719529400.db2.gz MBQGVQAJVFCDEU-UHFFFAOYSA-N 0 0 470.932 4.807 20 5 JJBDRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)cs1 ZINC001164753528 720865789 /nfs/dbraw/zinc/86/57/89/720865789.db2.gz XCWQYMIKYYILLK-KRWDZBQOSA-N 0 0 467.885 4.593 20 5 JJBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1 ZINC001164786081 721354692 /nfs/dbraw/zinc/35/46/92/721354692.db2.gz WBNPMRWGXLGXGN-DEOSSOPVSA-N 0 0 485.972 4.520 20 5 JJBDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CCO3)cs1 ZINC001164784957 721443786 /nfs/dbraw/zinc/44/37/86/721443786.db2.gz RBLHFCRVDWHQOF-KUHUBIRLSA-N 0 0 488.944 4.545 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C[C@H]2c1ccccc1 ZINC001164909084 721740598 /nfs/dbraw/zinc/74/05/98/721740598.db2.gz AVPUCQNBNJHFOG-MBSDFSHPSA-N 0 0 499.905 4.610 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C[C@@H]2c1ccccc1 ZINC001164912642 721740736 /nfs/dbraw/zinc/74/07/36/721740736.db2.gz OZYQPEXLZPTQTF-OFNKIYASSA-N 0 0 499.905 4.610 20 5 JJBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC001164911664 721765428 /nfs/dbraw/zinc/76/54/28/721765428.db2.gz QSWMFMOVLBTDLG-UHFFFAOYSA-N 0 0 473.508 4.979 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCc3ncnc(C4CC4)c3CC2)c(Cl)nn1 ZINC001164914394 721804380 /nfs/dbraw/zinc/80/43/80/721804380.db2.gz CCCNISSUARIRRB-UHFFFAOYSA-N 0 0 472.883 4.523 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164960468 722050875 /nfs/dbraw/zinc/05/08/75/722050875.db2.gz OPKJUTWURZNREA-UHFFFAOYSA-N 0 0 486.866 4.651 20 5 JJBDRN CC(C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC(C)(C)c1cccs1 ZINC001359716484 1064265300 /nfs/dbraw/zinc/26/53/00/1064265300.db2.gz IUQGSEUCHSBHIF-UHFFFAOYSA-N 0 0 454.600 4.676 20 5 JJBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC001545884383 1064300462 /nfs/dbraw/zinc/30/04/62/1064300462.db2.gz SETPZZJJZCHCCI-UHFFFAOYSA-N 0 0 457.359 4.956 20 5 JJBDRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001359739186 1064305728 /nfs/dbraw/zinc/30/57/28/1064305728.db2.gz NMGWFFMXAWSCQC-MRXNPFEDSA-N 0 0 455.588 4.533 20 5 JJBDRN O=C(Nc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001434909560 1064336072 /nfs/dbraw/zinc/33/60/72/1064336072.db2.gz KIRHCPIWFPTAIN-UHFFFAOYSA-N 0 0 455.580 4.962 20 5 JJBDRN O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001434943037 1064364977 /nfs/dbraw/zinc/36/49/77/1064364977.db2.gz IHCVOOYLEUHLFX-OAHLLOKOSA-N 0 0 459.955 4.530 20 5 JJBDRN CCCC[C@@H](NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434949722 1064370363 /nfs/dbraw/zinc/37/03/63/1064370363.db2.gz NMNWJCGSCCLKLS-OAQYLSRUSA-N 0 0 452.555 4.739 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001359762002 1064373513 /nfs/dbraw/zinc/37/35/13/1064373513.db2.gz OTSTZWQOCAGTEC-GIWBLDEGSA-N 0 0 471.602 4.556 20 5 JJBDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC001434978621 1064394473 /nfs/dbraw/zinc/39/44/73/1064394473.db2.gz NVTYSQREBILCII-UHFFFAOYSA-N 0 0 454.708 4.743 20 5 JJBDRN CC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1nc2ccccc2[nH]1 ZINC001435007277 1064422818 /nfs/dbraw/zinc/42/28/18/1064422818.db2.gz DVESQOOIEDHCTF-AWEZNQCLSA-N 0 0 459.293 4.845 20 5 JJBDRN Cc1c(CC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC001435007791 1064423812 /nfs/dbraw/zinc/42/38/12/1064423812.db2.gz DNMVFADRHYRLPE-UHFFFAOYSA-N 0 0 454.910 4.873 20 5 JJBDRN COC1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2C(F)(F)F)CC1 ZINC001435019320 1064435887 /nfs/dbraw/zinc/43/58/87/1064435887.db2.gz SILPDDIENKYAAU-RBUKOAKNSA-N 0 0 463.456 4.971 20 5 JJBDRN COc1ccc(C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1OC ZINC001435021174 1064438796 /nfs/dbraw/zinc/43/87/96/1064438796.db2.gz QTLFSVBWROXIQQ-QHCPKHFHSA-N 0 0 459.502 4.736 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(N)=O)-c1ccccc1CCC2 ZINC001435037802 1064453711 /nfs/dbraw/zinc/45/37/11/1064453711.db2.gz MMFVVWINTKSBNM-UHFFFAOYSA-N 0 0 453.545 4.885 20 5 JJBDRN C[C@@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC001359797522 1064459820 /nfs/dbraw/zinc/45/98/20/1064459820.db2.gz GZVCFMCPUTYCTF-RBSFLKMASA-N 0 0 451.445 4.969 20 5 JJBDRN O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001435046805 1064462768 /nfs/dbraw/zinc/46/27/68/1064462768.db2.gz XOYFKZIXUDSEMZ-UHFFFAOYSA-N 0 0 453.564 4.682 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC(C)(C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001435051439 1064469280 /nfs/dbraw/zinc/46/92/80/1064469280.db2.gz QYIXOIIWCQMUAG-XMMPIXPASA-N 0 0 459.518 4.568 20 5 JJBDRN COc1ccc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Br ZINC001359810080 1064485146 /nfs/dbraw/zinc/48/51/46/1064485146.db2.gz HASRDJONJQOZKI-JOCHJYFZSA-N 0 0 455.308 4.814 20 5 JJBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435067827 1064488433 /nfs/dbraw/zinc/48/84/33/1064488433.db2.gz MJSPUJMDCSFLTI-JOCHJYFZSA-N 0 0 455.898 4.912 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001435076124 1064498188 /nfs/dbraw/zinc/49/81/88/1064498188.db2.gz RRTAUSMHGQXXOG-QFIPXVFZSA-N 0 0 453.539 4.566 20 5 JJBDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001435076882 1064499975 /nfs/dbraw/zinc/49/99/75/1064499975.db2.gz VHSUYUVVMGUEPO-GOSISDBHSA-N 0 0 451.306 4.681 20 5 JJBDRN Cc1c(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001435079100 1064501556 /nfs/dbraw/zinc/50/15/56/1064501556.db2.gz MXDICYMPFHTDQW-HXUWFJFHSA-N 0 0 453.539 4.945 20 5 JJBDRN Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc2ccc(F)cc21 ZINC001435083046 1064504817 /nfs/dbraw/zinc/50/48/17/1064504817.db2.gz LZJYBRIKIVUZEV-UHFFFAOYSA-N 0 0 450.495 4.744 20 5 JJBDRN CC(C)(C)OC(=O)NCc1cccc(OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001435098747 1064513377 /nfs/dbraw/zinc/51/33/77/1064513377.db2.gz DAORMXFHPRKTRF-UHFFFAOYSA-N 0 0 451.273 4.601 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)cc2[N+](=O)[O-])C1 ZINC001435113405 1064521596 /nfs/dbraw/zinc/52/15/96/1064521596.db2.gz VHQXXRNUMHQBQE-HZPDHXFCSA-N 0 0 454.502 4.595 20 5 JJBDRN O=C(N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC001359840195 1064526210 /nfs/dbraw/zinc/52/62/10/1064526210.db2.gz WBJROWKBBJUFIA-UHFFFAOYSA-N 0 0 453.848 4.647 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359852094 1064539046 /nfs/dbraw/zinc/53/90/46/1064539046.db2.gz KCOCWGZVXQUNNZ-GBXCKJPGSA-N 0 0 484.645 4.553 20 5 JJBDRN CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001359858389 1064545927 /nfs/dbraw/zinc/54/59/27/1064545927.db2.gz LRBQURRXTFPMBA-DEOSSOPVSA-N 0 0 459.481 4.875 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001435150421 1064550557 /nfs/dbraw/zinc/55/05/57/1064550557.db2.gz ZIZDYRSLMPMRMV-IOASZLSFSA-N 0 0 450.276 4.606 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001435163590 1064559553 /nfs/dbraw/zinc/55/95/53/1064559553.db2.gz RMOPANZJFNKECU-UHFFFAOYSA-N 0 0 450.676 4.783 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1OC ZINC001359870558 1064562935 /nfs/dbraw/zinc/56/29/35/1064562935.db2.gz KOFTWFQCRHLEHP-UHFFFAOYSA-N 0 0 456.495 4.706 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC001359874743 1064564999 /nfs/dbraw/zinc/56/49/99/1064564999.db2.gz HPMOEUJHZHCHFA-KRWDZBQOSA-N 0 0 457.284 4.775 20 5 JJBDRN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC001435185885 1064575105 /nfs/dbraw/zinc/57/51/05/1064575105.db2.gz SURCOCNCAACIBE-ZDUSSCGKSA-N 0 0 458.396 4.752 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001435187744 1064576847 /nfs/dbraw/zinc/57/68/47/1064576847.db2.gz XVBMIOASJFTVCD-XOBRGWDASA-N 0 0 450.520 4.706 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC001359884600 1064578738 /nfs/dbraw/zinc/57/87/38/1064578738.db2.gz YNCFIACCAGJLHD-SFHVURJKSA-N 0 0 458.518 4.825 20 5 JJBDRN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001435201659 1064588639 /nfs/dbraw/zinc/58/86/39/1064588639.db2.gz BLCOJWDOUKCJET-UHFFFAOYSA-N 0 0 451.704 4.746 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC001435217472 1064597637 /nfs/dbraw/zinc/59/76/37/1064597637.db2.gz QIASYMUQVRQBNZ-MOPGFXCFSA-N 0 0 457.502 4.694 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cnn(-c2ccccc2)c1C(F)F ZINC001435218550 1064598068 /nfs/dbraw/zinc/59/80/68/1064598068.db2.gz CEERTVPUUVSXJE-UHFFFAOYSA-N 0 0 452.211 4.838 20 5 JJBDRN CCOc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C(N)=O)c1 ZINC001435220176 1064600693 /nfs/dbraw/zinc/60/06/93/1064600693.db2.gz GVCYZUKLNOFDCB-UHFFFAOYSA-N 0 0 455.854 4.790 20 5 JJBDRN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)NCCCNc3ccc(C)cc3[N+](=O)[O-])c12 ZINC001435227907 1064607719 /nfs/dbraw/zinc/60/77/19/1064607719.db2.gz IZUUOGALTPAIHQ-UHFFFAOYSA-N 0 0 459.506 4.955 20 5 JJBDRN CC(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001359902441 1064614652 /nfs/dbraw/zinc/61/46/52/1064614652.db2.gz NWCLEOZDIUQABG-QHCPKHFHSA-N 0 0 471.602 4.844 20 5 JJBDRN Cc1c(Br)cc(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1[N+](=O)[O-] ZINC001435236344 1064616414 /nfs/dbraw/zinc/61/64/14/1064616414.db2.gz ZBDOTGGYFAMBSW-ZDUSSCGKSA-N 0 0 450.333 4.804 20 5 JJBDRN COc1cc(OCC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)ccc1[N+](=O)[O-] ZINC001435238060 1064618017 /nfs/dbraw/zinc/61/80/17/1064618017.db2.gz XGPKRXCEJMGZHD-INIZCTEOSA-N 0 0 455.536 4.942 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)o2)CC1 ZINC001359904033 1064618789 /nfs/dbraw/zinc/61/87/89/1064618789.db2.gz OBBJBSAPPFAGRE-UHFFFAOYSA-N 0 0 450.879 4.603 20 5 JJBDRN CC(C)(C)c1csc(-c2cccc(OC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC001435253775 1064630292 /nfs/dbraw/zinc/63/02/92/1064630292.db2.gz DYJNRDSROHFKRD-UHFFFAOYSA-N 0 0 453.520 4.741 20 5 JJBDRN CC(C)CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001359914429 1064633951 /nfs/dbraw/zinc/63/39/51/1064633951.db2.gz HFESLXBXBNVMGJ-UHFFFAOYSA-N 0 0 460.579 4.593 20 5 JJBDRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001359920445 1064644957 /nfs/dbraw/zinc/64/49/57/1064644957.db2.gz VUXCWHVIIDLEFB-UHFFFAOYSA-N 0 0 456.445 4.933 20 5 JJBDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC001435285275 1064662651 /nfs/dbraw/zinc/66/26/51/1064662651.db2.gz ZUMCWISPANBIPZ-MRXNPFEDSA-N 0 0 454.483 4.776 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C ZINC001435288061 1064664131 /nfs/dbraw/zinc/66/41/31/1064664131.db2.gz AHAFFMXHYRMSDR-UHFFFAOYSA-N 0 0 450.474 4.784 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC001435295940 1064671926 /nfs/dbraw/zinc/67/19/26/1064671926.db2.gz DDAMYTLTVCPCKV-UHFFFAOYSA-N 0 0 451.548 4.948 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001435323796 1064696578 /nfs/dbraw/zinc/69/65/78/1064696578.db2.gz OTPQLQCCFWXRGA-IYZUVGINSA-N 0 0 455.942 4.828 20 5 JJBDRN COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC001435327138 1064699473 /nfs/dbraw/zinc/69/94/73/1064699473.db2.gz YZTWKYGOANLHBI-UHFFFAOYSA-N 0 0 454.548 4.796 20 5 JJBDRN CC(C)(C)c1nc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2s1 ZINC001435342742 1064711734 /nfs/dbraw/zinc/71/17/34/1064711734.db2.gz JISJWAIAKSLRKF-UHFFFAOYSA-N 0 0 454.508 4.829 20 5 JJBDRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC001435343922 1064712968 /nfs/dbraw/zinc/71/29/68/1064712968.db2.gz YEYIUPSXMJOTAW-QGZVFWFLSA-N 0 0 457.490 4.684 20 5 JJBDRN C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC001435345468 1064713487 /nfs/dbraw/zinc/71/34/87/1064713487.db2.gz JCMUKKILTIAMBN-LLVKDONJSA-N 0 0 459.749 4.687 20 5 JJBDRN CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001435349502 1064715995 /nfs/dbraw/zinc/71/59/95/1064715995.db2.gz MXBKJAVASPLEQW-CYBMUJFWSA-N 0 0 459.549 4.673 20 5 JJBDRN O=C(/C=C/c1ccncn1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435349653 1064716779 /nfs/dbraw/zinc/71/67/79/1064716779.db2.gz DEULNIGNCFAFKN-QHHAFSJGSA-N 0 0 459.245 4.563 20 5 JJBDRN CN(C(=O)c1ccc(Cl)cc1)c1ccc(OC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC001435355890 1064720605 /nfs/dbraw/zinc/72/06/05/1064720605.db2.gz GAHQLYOPVZRSRG-UHFFFAOYSA-N 0 0 453.882 4.932 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001435359275 1064723109 /nfs/dbraw/zinc/72/31/09/1064723109.db2.gz RWDIDWNEEWSIHR-FCEUIQTBSA-N 0 0 459.587 4.992 20 5 JJBDRN Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)[C@H](C)C2)cc1C ZINC001435366628 1064726322 /nfs/dbraw/zinc/72/63/22/1064726322.db2.gz NFMWBUXKXXCJET-OAQYLSRUSA-N 0 0 450.583 4.799 20 5 JJBDRN O=C(Nc1ccc(F)cc1I)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001435395617 1064738336 /nfs/dbraw/zinc/73/83/36/1064738336.db2.gz MCJPGILBJVHCAK-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCCC1=O)C1CCCC1 ZINC001359984845 1064762628 /nfs/dbraw/zinc/76/26/28/1064762628.db2.gz CVJICWBLBUVPOC-UHFFFAOYSA-N 0 0 468.602 4.661 20 5 JJBDRN NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccc(Cl)cc1 ZINC001435491006 1064787627 /nfs/dbraw/zinc/78/76/27/1064787627.db2.gz HZAKXXABVQUGLR-LJQANCHMSA-N 0 0 455.923 4.746 20 5 JJBDRN CC(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001360004253 1064790702 /nfs/dbraw/zinc/79/07/02/1064790702.db2.gz FDOOGPVDBNBBMF-UHFFFAOYSA-N 0 0 494.383 4.766 20 5 JJBDRN CC(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001360004547 1064791268 /nfs/dbraw/zinc/79/12/68/1064791268.db2.gz OOBSCOLAVJXVOD-UHFFFAOYSA-N 0 0 476.006 4.826 20 5 JJBDRN O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435502098 1064792124 /nfs/dbraw/zinc/79/21/24/1064792124.db2.gz FZCGADOMSNLURN-UHFFFAOYSA-N 0 0 457.748 4.596 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001435529746 1064811192 /nfs/dbraw/zinc/81/11/92/1064811192.db2.gz LAJAZPVZDFNSBF-UHFFFAOYSA-N 0 0 455.873 4.889 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]2CCCC[C@@H]21 ZINC001435548783 1064822983 /nfs/dbraw/zinc/82/29/83/1064822983.db2.gz LPFHLZYJCIRIKL-JVPBZIDWSA-N 0 0 451.951 4.823 20 5 JJBDRN O=C(Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1)c1ccc(F)cc1 ZINC001435557073 1064829208 /nfs/dbraw/zinc/82/92/08/1064829208.db2.gz KCYVLEBGBFLHGR-UHFFFAOYSA-N 0 0 459.380 4.518 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC001435575811 1064844111 /nfs/dbraw/zinc/84/41/11/1064844111.db2.gz VTHPETPSQFWKIW-HXUWFJFHSA-N 0 0 455.580 4.654 20 5 JJBDRN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001435588329 1064853693 /nfs/dbraw/zinc/85/36/93/1064853693.db2.gz WHOBONZASSPISU-KRWDZBQOSA-N 0 0 458.534 4.969 20 5 JJBDRN CS[C@H]1CCCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001435617838 1064880753 /nfs/dbraw/zinc/88/07/53/1064880753.db2.gz UFDYRYGIVWRQIP-QFIPXVFZSA-N 0 0 450.564 4.734 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c2ccccc2OC)cc1 ZINC001435627054 1064889017 /nfs/dbraw/zinc/88/90/17/1064889017.db2.gz QRTQUVUASLSWMK-XMMPIXPASA-N 0 0 450.491 4.919 20 5 JJBDRN CCOCCO[C@H]1CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC001435641301 1064902010 /nfs/dbraw/zinc/90/20/10/1064902010.db2.gz ACQOSJHBECEVKK-INIZCTEOSA-N 0 0 450.944 4.667 20 5 JJBDRN CC(C)COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001360066731 1064910425 /nfs/dbraw/zinc/91/04/25/1064910425.db2.gz MSDOMSRNZKTNHN-OAQYLSRUSA-N 0 0 459.591 4.700 20 5 JJBDRN O=C(Nc1ccc2cccc(Cl)c2n1)c1cc(I)cc([N+](=O)[O-])c1 ZINC001435656414 1064912439 /nfs/dbraw/zinc/91/24/39/1064912439.db2.gz DMJPPNSLZUNSAH-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cnc1Br ZINC001435657483 1064912980 /nfs/dbraw/zinc/91/29/80/1064912980.db2.gz DTPLDCZGTMNZGZ-ZDUSSCGKSA-N 0 0 456.300 4.881 20 5 JJBDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(C)c1 ZINC001435660516 1064914896 /nfs/dbraw/zinc/91/48/96/1064914896.db2.gz LUAKVJRUZPNLOD-HXUWFJFHSA-N 0 0 457.328 4.650 20 5 JJBDRN CN(C(=O)[C@@H](OC1CCOCC1)c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435675399 1064927764 /nfs/dbraw/zinc/92/77/64/1064927764.db2.gz VLVVVTYGTIOXMN-NRFANRHFSA-N 0 0 453.520 4.618 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)CC2 ZINC001435682142 1064931615 /nfs/dbraw/zinc/93/16/15/1064931615.db2.gz SOUICZVBYBDLDL-ZHRRBRCNSA-N 0 0 459.905 4.583 20 5 JJBDRN COc1ccccc1-c1ccc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001435691176 1064937274 /nfs/dbraw/zinc/93/72/74/1064937274.db2.gz LCGNHEGPKKMNLH-QHCPKHFHSA-N 0 0 457.442 4.712 20 5 JJBDRN COc1cc(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)c([N+](=O)[O-])cc1OC(F)F ZINC001435696825 1064943445 /nfs/dbraw/zinc/94/34/45/1064943445.db2.gz JYWSKANAGNSDLD-UHFFFAOYSA-N 0 0 457.380 4.726 20 5 JJBDRN O=C(COc1ccc(Cl)c(F)c1)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001360096863 1064972344 /nfs/dbraw/zinc/97/23/44/1064972344.db2.gz MZXORZVOVKDPNK-UHFFFAOYSA-N 0 0 456.817 4.851 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001435752055 1064976225 /nfs/dbraw/zinc/97/62/25/1064976225.db2.gz VSWSZZUEMBMFRJ-UHFFFAOYSA-N 0 0 451.523 4.693 20 5 JJBDRN COc1cc(F)c([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC ZINC001360099652 1064978596 /nfs/dbraw/zinc/97/85/96/1064978596.db2.gz NSVZSHSZISPWFT-HNNXBMFYSA-N 0 0 454.454 4.821 20 5 JJBDRN COc1cc(F)c([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1OC ZINC001360099653 1064978894 /nfs/dbraw/zinc/97/88/94/1064978894.db2.gz NSVZSHSZISPWFT-OAHLLOKOSA-N 0 0 454.454 4.821 20 5 JJBDRN O=C(Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001435757389 1064979193 /nfs/dbraw/zinc/97/91/93/1064979193.db2.gz QDWICCPRLLBJRY-UHFFFAOYSA-N 0 0 458.368 4.982 20 5 JJBDRN CC(=O)N(Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1)C(C)C ZINC001360102839 1064982329 /nfs/dbraw/zinc/98/23/29/1064982329.db2.gz MOIJACMMVPRKFX-UHFFFAOYSA-N 0 0 453.417 4.545 20 5 JJBDRN COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccccn1 ZINC001435769451 1064984280 /nfs/dbraw/zinc/98/42/80/1064984280.db2.gz WUGZRDRJEINUCO-HXUWFJFHSA-N 0 0 456.296 4.589 20 5 JJBDRN Cc1ncc(-c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC001435796263 1064994791 /nfs/dbraw/zinc/99/47/91/1064994791.db2.gz FTOIQCLUVGTMER-UHFFFAOYSA-N 0 0 459.243 4.822 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(=O)N2CCCC2)n1CC1CCC(F)(F)CC1 ZINC001360115753 1064998467 /nfs/dbraw/zinc/99/84/67/1064998467.db2.gz JCIPEHSEYPAHFM-UHFFFAOYSA-N 0 0 490.555 4.663 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360115856 1064998569 /nfs/dbraw/zinc/99/85/69/1064998569.db2.gz MJSGHLZCRHUODT-UHFFFAOYSA-N 0 0 493.568 4.948 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCCC1(C)C ZINC001360116076 1064999665 /nfs/dbraw/zinc/99/96/65/1064999665.db2.gz TURURYODPUFYMY-VWLOTQADSA-N 0 0 466.586 4.548 20 5 JJBDRN C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC001435803001 1065000164 /nfs/dbraw/zinc/00/01/64/1065000164.db2.gz KPIVEXQAIWFKKS-GFCCVEGCSA-N 0 0 459.384 4.604 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CSCCS1 ZINC001360116199 1065000116 /nfs/dbraw/zinc/00/01/16/1065000116.db2.gz XSRXTPNRORICCY-VQTJNVASSA-N 0 0 477.656 4.692 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccccn2)n1CC1CC(F)(F)C1 ZINC001360116331 1065000551 /nfs/dbraw/zinc/00/05/51/1065000551.db2.gz BCIYWNIRVTUIAY-UHFFFAOYSA-N 0 0 456.497 4.632 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1Cc1ncnn1C(C)(C)C ZINC001360116339 1065000615 /nfs/dbraw/zinc/00/06/15/1065000615.db2.gz BRHRWTWNVXGJSS-UHFFFAOYSA-N 0 0 494.625 4.648 20 5 JJBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC001435809259 1065003552 /nfs/dbraw/zinc/00/35/52/1065003552.db2.gz KYSQSJGXUDVQKN-ZDUSSCGKSA-N 0 0 453.720 4.942 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC001435829135 1065012819 /nfs/dbraw/zinc/01/28/19/1065012819.db2.gz FZDBJLYACLPVSP-UHFFFAOYSA-N 0 0 457.442 4.762 20 5 JJBDRN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435835142 1065015362 /nfs/dbraw/zinc/01/53/62/1065015362.db2.gz BJSGPCNHIDFXRQ-GBXCKJPGSA-N 0 0 450.466 4.963 20 5 JJBDRN CC[C@H]1CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2cccc(Cl)c2O1 ZINC001435870704 1065036309 /nfs/dbraw/zinc/03/63/09/1065036309.db2.gz MOPCRQSPIWNSAR-SFHVURJKSA-N 0 0 454.914 4.928 20 5 JJBDRN O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001435888876 1065046049 /nfs/dbraw/zinc/04/60/49/1065046049.db2.gz GSYIJKFLPDRHRE-UHFFFAOYSA-N 0 0 454.368 4.509 20 5 JJBDRN O=C(Cc1coc2cc(Cl)ccc12)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001435896151 1065050449 /nfs/dbraw/zinc/05/04/49/1065050449.db2.gz GMPQLRKCNBFKQF-UHFFFAOYSA-N 0 0 456.623 4.780 20 5 JJBDRN Cc1cc2scc(CC(=O)Nc3ccc([N+](=O)[O-])c(I)c3)c2s1 ZINC001435895718 1065050573 /nfs/dbraw/zinc/05/05/73/1065050573.db2.gz BPJYEUJYEIXWBE-UHFFFAOYSA-N 0 0 458.302 4.965 20 5 JJBDRN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001435898038 1065051364 /nfs/dbraw/zinc/05/13/64/1065051364.db2.gz YDFYAEOQNNECRS-UHFFFAOYSA-N 0 0 454.264 4.514 20 5 JJBDRN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001360183980 1065071300 /nfs/dbraw/zinc/07/13/00/1065071300.db2.gz WCOFIFGJUGKDCX-UHFFFAOYSA-N 0 0 456.838 4.845 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)cc1OC ZINC001435943428 1065075286 /nfs/dbraw/zinc/07/52/86/1065075286.db2.gz RPXHMAJJWNVVHA-HNNXBMFYSA-N 0 0 455.280 4.785 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214595 1065083685 /nfs/dbraw/zinc/08/36/85/1065083685.db2.gz NIJNXFXSTXVDOK-INIZCTEOSA-N 0 0 451.589 4.864 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3nc4cc(Cl)ccc4n3C)cc2[N+](=O)[O-])C1 ZINC001435972300 1065087404 /nfs/dbraw/zinc/08/74/04/1065087404.db2.gz FRMKOPCYKKIIKU-GASCZTMLSA-N 0 0 455.946 4.547 20 5 JJBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C(C)C ZINC001360229235 1065091480 /nfs/dbraw/zinc/09/14/80/1065091480.db2.gz HTUIPDYEHMBXAR-UHFFFAOYSA-N 0 0 450.474 4.784 20 5 JJBDRN O=C(OCc1ccc(C(F)(F)C(F)(F)F)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001435988913 1065095151 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ZAPSDADOCXOLRJ-MUUNZHRXSA-N 0 0 459.321 4.917 20 5 JJBDRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1Br ZINC001360300766 1065134420 /nfs/dbraw/zinc/13/44/20/1065134420.db2.gz ZAPSDADOCXOLRJ-NDEPHWFRSA-N 0 0 459.321 4.917 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC001436051665 1065145424 /nfs/dbraw/zinc/14/54/24/1065145424.db2.gz JHGFOHHSUJBJGG-UHFFFAOYSA-N 0 0 452.935 4.977 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001436057449 1065149891 /nfs/dbraw/zinc/14/98/91/1065149891.db2.gz JEPNGQOWSLUEMD-WVQHILGCSA-N 0 0 455.511 4.557 20 5 JJBDRN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001360318771 1065152761 /nfs/dbraw/zinc/15/27/61/1065152761.db2.gz UTCOOECQYPSQEQ-UHFFFAOYSA-N 0 0 455.319 4.618 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(Cl)=C(Cl)C2)cn1 ZINC001360354408 1065202698 /nfs/dbraw/zinc/20/26/98/1065202698.db2.gz NZENJCBXUDXTFL-UHFFFAOYSA-N 0 0 489.363 4.983 20 5 JJBDRN CC(C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001436142074 1065211348 /nfs/dbraw/zinc/21/13/48/1065211348.db2.gz UOVHOVSQQKJTIP-UHFFFAOYSA-N 0 0 453.236 4.983 20 5 JJBDRN O=C(OCc1ccc(N2CCOCC2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001436143660 1065211926 /nfs/dbraw/zinc/21/19/26/1065211926.db2.gz RMBYQATYSIRJHN-UHFFFAOYSA-N 0 0 450.516 4.940 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001436150814 1065216185 /nfs/dbraw/zinc/21/61/85/1065216185.db2.gz CDBQMRFLHRKNAG-UHFFFAOYSA-N 0 0 457.474 4.999 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001360381235 1065242418 /nfs/dbraw/zinc/24/24/18/1065242418.db2.gz ZZHVKWSAGMGGDJ-UHFFFAOYSA-N 0 0 454.832 4.720 20 5 JJBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC001436195898 1065243584 /nfs/dbraw/zinc/24/35/84/1065243584.db2.gz XSJPNMFZODDPJU-UHFFFAOYSA-N 0 0 456.296 4.859 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC001360388370 1065252582 /nfs/dbraw/zinc/25/25/82/1065252582.db2.gz PCQJWGQWQACZLJ-WJOKGBTCSA-N 0 0 454.529 4.537 20 5 JJBDRN Cc1ccc(-c2cncc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2)cc1 ZINC001436222317 1065262908 /nfs/dbraw/zinc/26/29/08/1065262908.db2.gz KXLDKLKGJMVQFF-UHFFFAOYSA-N 0 0 452.308 4.926 20 5 JJBDRN Cc1csc(-c2cccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2)n1 ZINC001436222723 1065263551 /nfs/dbraw/zinc/26/35/51/1065263551.db2.gz NDLNPLWGYRTWHC-UHFFFAOYSA-N 0 0 458.337 4.988 20 5 JJBDRN Cc1ccccc1[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC001360405050 1065268150 /nfs/dbraw/zinc/26/81/50/1065268150.db2.gz GPUFBHPUBVVHHN-QRWLVFNGSA-N 0 0 451.445 4.713 20 5 JJBDRN CC[C@H](C(=O)OC)N(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001360408362 1065271526 /nfs/dbraw/zinc/27/15/26/1065271526.db2.gz LNHBEGOVTPCAOV-DBXWQHBBSA-N 0 0 453.539 4.676 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(Cc4ccccc4)CCOCC3)cc2[N+](=O)[O-])C1 ZINC001436254349 1065276305 /nfs/dbraw/zinc/27/63/05/1065276305.db2.gz FSKKDJMNBUFVFN-WOJBJXKFSA-N 0 0 451.567 4.599 20 5 JJBDRN COc1ccccc1-n1c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nc2ccccc21 ZINC001360418631 1065283258 /nfs/dbraw/zinc/28/32/58/1065283258.db2.gz BEGRYEVVDOHJFF-UHFFFAOYSA-N 0 0 454.845 4.916 20 5 JJBDRN COc1cc(C(=O)N(c2ccc(Br)cc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC001436298152 1065290991 /nfs/dbraw/zinc/29/09/91/1065290991.db2.gz RGQBXFDYFIBEKC-UHFFFAOYSA-N 0 0 457.227 4.777 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001436311105 1065294530 /nfs/dbraw/zinc/29/45/30/1065294530.db2.gz XJELQGGBSAZNRD-IIBYNOLFSA-N 0 0 456.564 4.729 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001436311106 1065294624 /nfs/dbraw/zinc/29/46/24/1065294624.db2.gz XJELQGGBSAZNRD-KKSFZXQISA-N 0 0 456.564 4.729 20 5 JJBDRN C[C@@H](C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001360429288 1065303448 /nfs/dbraw/zinc/30/34/48/1065303448.db2.gz OFZIVEZSJNRHAU-CQSZACIVSA-N 0 0 458.467 4.672 20 5 JJBDRN CC(C)(C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001360429651 1065304779 /nfs/dbraw/zinc/30/47/79/1065304779.db2.gz USJBTWYCLRQRHU-UHFFFAOYSA-N 0 0 454.504 4.707 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC001436428317 1065316540 /nfs/dbraw/zinc/31/65/40/1065316540.db2.gz NPWDUHZWOQKXTL-FOIQADDNSA-N 0 0 459.543 4.718 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC001436478999 1065329851 /nfs/dbraw/zinc/32/98/51/1065329851.db2.gz PJXGUNYKWOZTTB-UHFFFAOYSA-N 0 0 454.907 4.675 20 5 JJBDRN Cc1cc2cc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)ccc2n(C)c1=O ZINC001436489263 1065333067 /nfs/dbraw/zinc/33/30/67/1065333067.db2.gz JWOMSEUNQMJJBL-INIZCTEOSA-N 0 0 457.490 4.576 20 5 JJBDRN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001360446668 1065336891 /nfs/dbraw/zinc/33/68/91/1065336891.db2.gz BTFJCAPTMOOHRB-UHFFFAOYSA-N 0 0 451.704 4.746 20 5 JJBDRN O=C(N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001436522698 1065342032 /nfs/dbraw/zinc/34/20/32/1065342032.db2.gz YJYGISQLZDMFRL-PGRDOPGGSA-N 0 0 456.857 4.568 20 5 JJBDRN O=C(Nc1nccc2cc(Br)ccc21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001436533900 1065347893 /nfs/dbraw/zinc/34/78/93/1065347893.db2.gz CTAQXYPCTXWRNF-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])CC(C)(C)O2 ZINC001436555437 1065359843 /nfs/dbraw/zinc/35/98/43/1065359843.db2.gz AOWLGPNRMBYNLH-GOSISDBHSA-N 0 0 455.511 4.903 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])CC(C)(C)O2 ZINC001436555438 1065359911 /nfs/dbraw/zinc/35/99/11/1065359911.db2.gz AOWLGPNRMBYNLH-SFHVURJKSA-N 0 0 455.511 4.903 20 5 JJBDRN Cn1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(-c2cc(F)ccc2F)n1 ZINC001436562589 1065364656 /nfs/dbraw/zinc/36/46/56/1065364656.db2.gz RWGDTKWVIDJYDD-UHFFFAOYSA-N 0 0 456.430 4.754 20 5 JJBDRN COCC1(CNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCCCC1 ZINC001436601630 1065393954 /nfs/dbraw/zinc/39/39/54/1065393954.db2.gz SODGFUASTAOCLC-UHFFFAOYSA-N 0 0 456.564 4.874 20 5 JJBDRN Cc1ccc(C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2ccccn2)cc1 ZINC001360485901 1065405648 /nfs/dbraw/zinc/40/56/48/1065405648.db2.gz QPDMZFBXXMUZTM-OAQYLSRUSA-N 0 0 454.324 4.703 20 5 JJBDRN Cn1cc(C(=O)OCc2cccc(Br)c2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436647837 1065416361 /nfs/dbraw/zinc/41/63/61/1065416361.db2.gz GIPSBHCXGDIYPH-UHFFFAOYSA-N 0 0 450.676 4.768 20 5 JJBDRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001360498310 1065417259 /nfs/dbraw/zinc/41/72/59/1065417259.db2.gz QQXMKWFSYONVBF-ZWKOTPCHSA-N 0 0 455.584 4.656 20 5 JJBDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC001436752199 1065435839 /nfs/dbraw/zinc/43/58/39/1065435839.db2.gz KMGDYESTXKDAGK-PXNSSMCTSA-N 0 0 477.483 4.759 20 5 JJBDRN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cnc(-c2ccccc2Cl)nc1 ZINC001436773842 1065439289 /nfs/dbraw/zinc/43/92/89/1065439289.db2.gz HDOALPONHLQGTL-MRXNPFEDSA-N 0 0 454.767 4.878 20 5 JJBDRN COc1ccc(Br)cc1C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436779517 1065439917 /nfs/dbraw/zinc/43/99/17/1065439917.db2.gz SHPGBIHZGHDHGI-AWEZNQCLSA-N 0 0 451.170 4.538 20 5 JJBDRN CC(C)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001360514303 1065465296 /nfs/dbraw/zinc/46/52/96/1065465296.db2.gz RBMXYTDTEYATEL-GOSISDBHSA-N 0 0 486.617 4.982 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001436959199 1065481117 /nfs/dbraw/zinc/48/11/17/1065481117.db2.gz LQNQPQHXKOKZFM-SUWCGCSTSA-N 0 0 459.587 4.660 20 5 JJBDRN C[C@@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC1CCOCC1)c1nccs1 ZINC001360518990 1065484296 /nfs/dbraw/zinc/48/42/96/1065484296.db2.gz GHONELIDJWSCLY-KRWDZBQOSA-N 0 0 470.599 4.757 20 5 JJBDRN COc1ccc(Oc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)nc2)cc1 ZINC001360522393 1065497510 /nfs/dbraw/zinc/49/75/10/1065497510.db2.gz DCLCOOPXVIGIIC-UHFFFAOYSA-N 0 0 459.252 4.910 20 5 JJBDRN COc1ccc(Br)cc1C1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001437024373 1065497820 /nfs/dbraw/zinc/49/78/20/1065497820.db2.gz HUNODFVHTFDILP-UHFFFAOYSA-N 0 0 453.720 4.757 20 5 JJBDRN Cc1cc(OCC(=O)NCCCCSc2ccccc2Br)ccc1[N+](=O)[O-] ZINC001360522842 1065498207 /nfs/dbraw/zinc/49/82/07/1065498207.db2.gz MVLIJCZWIBYJTN-UHFFFAOYSA-N 0 0 453.358 4.733 20 5 JJBDRN O=C(NCc1cc(Cl)ccc1Br)c1sc(Br)cc1[N+](=O)[O-] ZINC001437075312 1065506956 /nfs/dbraw/zinc/50/69/56/1065506956.db2.gz ZNZNPFZMDYLRTJ-UHFFFAOYSA-N 0 0 454.527 4.765 20 5 JJBDRN C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1nccs1 ZINC001360536812 1065520104 /nfs/dbraw/zinc/52/01/04/1065520104.db2.gz RJOIGQUDVRSKLQ-QFBILLFUSA-N 0 0 470.599 4.897 20 5 JJBDRN C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001360537104 1065520764 /nfs/dbraw/zinc/52/07/64/1065520764.db2.gz XJJBYRFYFZIUAD-GOSISDBHSA-N 0 0 484.601 4.879 20 5 JJBDRN CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001360539122 1065523266 /nfs/dbraw/zinc/52/32/66/1065523266.db2.gz WJBHLFPXLKIYRP-UHFFFAOYSA-N 0 0 453.564 4.831 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)cc1[N+](=O)[O-] ZINC001360566364 1065557456 /nfs/dbraw/zinc/55/74/56/1065557456.db2.gz MCQOGWMYLIIWAH-UHFFFAOYSA-N 0 0 456.455 4.603 20 5 JJBDRN COc1ccc(CC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001437469905 1065557551 /nfs/dbraw/zinc/55/75/51/1065557551.db2.gz DUPXLEBVVHNMTP-NRFANRHFSA-N 0 0 452.429 4.668 20 5 JJBDRN Cn1ncc(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1C(F)F ZINC001360566791 1065557851 /nfs/dbraw/zinc/55/78/51/1065557851.db2.gz ZIGUFMWCQMLKGR-UHFFFAOYSA-N 0 0 454.792 4.781 20 5 JJBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001437523121 1065566760 /nfs/dbraw/zinc/56/67/60/1065566760.db2.gz AQHRQFVTFXXPGI-GOSISDBHSA-N 0 0 459.289 4.693 20 5 JJBDRN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001437526194 1065567141 /nfs/dbraw/zinc/56/71/41/1065567141.db2.gz KWICQEFEAVAFTN-XMMPIXPASA-N 0 0 456.502 4.618 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccnc(C(=O)OC(C)(C)C)c3)cc2[N+](=O)[O-])C1 ZINC001437551587 1065571986 /nfs/dbraw/zinc/57/19/86/1065571986.db2.gz RPVBAPQHIXVOKR-HZPDHXFCSA-N 0 0 454.527 4.680 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001437555345 1065574035 /nfs/dbraw/zinc/57/40/35/1065574035.db2.gz ZZZCXZJBZKBVTA-FGZHOGPDSA-N 0 0 471.529 4.576 20 5 JJBDRN CN1CCc2nc(NC(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000023607061 1065576294 /nfs/dbraw/zinc/57/62/94/1065576294.db2.gz SYTNWJVEUKJMNM-UHFFFAOYSA-N 0 0 457.943 4.557 20 5 JJBDRN Cn1cc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001437747110 1065599257 /nfs/dbraw/zinc/59/92/57/1065599257.db2.gz AGQCYPZZBLSTRM-UHFFFAOYSA-N 0 0 455.446 4.573 20 5 JJBDRN Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001437766461 1065602935 /nfs/dbraw/zinc/60/29/35/1065602935.db2.gz HZPOHPYYPLLASO-UHFFFAOYSA-N 0 0 451.483 4.903 20 5 JJBDRN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001437788523 1065606052 /nfs/dbraw/zinc/60/60/52/1065606052.db2.gz IKPQGHNVMFDBAI-UHFFFAOYSA-N 0 0 450.289 4.981 20 5 JJBDRN Cc1cc(Cl)cc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1I)CCC2 ZINC001360608411 1065636197 /nfs/dbraw/zinc/63/61/97/1065636197.db2.gz VQGCEXMPZATKTL-UHFFFAOYSA-N 0 0 456.667 4.754 20 5 JJBDRN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001360609321 1065639478 /nfs/dbraw/zinc/63/94/78/1065639478.db2.gz COPOWVHWASSWLH-KRWDZBQOSA-N 0 0 495.584 4.511 20 5 JJBDRN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001360609322 1065639589 /nfs/dbraw/zinc/63/95/89/1065639589.db2.gz COPOWVHWASSWLH-QGZVFWFLSA-N 0 0 495.584 4.511 20 5 JJBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccnc1SCc1cccc(Br)c1 ZINC001360611767 1065649270 /nfs/dbraw/zinc/64/92/70/1065649270.db2.gz RWVDCTKFBLKVIG-UHFFFAOYSA-N 0 0 458.337 4.975 20 5 JJBDRN CN(CC(=O)Nc1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001438021963 1065652622 /nfs/dbraw/zinc/65/26/22/1065652622.db2.gz RIGSNMBUOXWHHQ-UHFFFAOYSA-N 0 0 450.186 4.590 20 5 JJBDRN COC[C@H](C)Oc1ccc(COC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001438078391 1065666632 /nfs/dbraw/zinc/66/66/32/1065666632.db2.gz QIPMASPIVGKXEO-ZDUSSCGKSA-N 0 0 459.442 4.863 20 5 JJBDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001438154218 1065682397 /nfs/dbraw/zinc/68/23/97/1065682397.db2.gz UWIJVEOWKZBCAR-HXUWFJFHSA-N 0 0 451.376 4.926 20 5 JJBDRN Cc1cc(OCC(=O)Oc2cccc(OC(F)(F)F)c2Br)ccc1[N+](=O)[O-] ZINC001438155657 1065682439 /nfs/dbraw/zinc/68/24/39/1065682439.db2.gz MMGDKNBXWWSRCY-UHFFFAOYSA-N 0 0 450.163 4.549 20 5 JJBDRN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 ZINC001438164872 1065684081 /nfs/dbraw/zinc/68/40/81/1065684081.db2.gz NAVPECWLWGEUTM-NSHDSACASA-N 0 0 453.442 4.814 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC001438180244 1065688392 /nfs/dbraw/zinc/68/83/92/1065688392.db2.gz XCMWMAXPCLWYDH-QRWLVFNGSA-N 0 0 471.510 4.523 20 5 JJBDRN CC(C)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)OCc1ccccc1 ZINC001360636071 1065691441 /nfs/dbraw/zinc/69/14/41/1065691441.db2.gz YILLXGUHLWTOCG-IBGZPJMESA-N 0 0 453.520 4.606 20 5 JJBDRN O=C(Oc1ccc(-c2cccnc2)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001438340710 1065712032 /nfs/dbraw/zinc/71/20/32/1065712032.db2.gz APEBZCFWDZADLH-INIZCTEOSA-N 0 0 457.895 4.582 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC001438361349 1065716436 /nfs/dbraw/zinc/71/64/36/1065716436.db2.gz XCOZMDPXIHVHNM-FZKQIMNGSA-N 0 0 451.292 4.937 20 5 JJBDRN CC(C)Oc1cc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC001360643170 1065717687 /nfs/dbraw/zinc/71/76/87/1065717687.db2.gz FNAJOCXLOFMDCY-UHFFFAOYSA-N 0 0 450.413 4.534 20 5 JJBDRN COc1cc(OCC(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)ccc1[N+](=O)[O-] ZINC001438402994 1065720700 /nfs/dbraw/zinc/72/07/00/1065720700.db2.gz MKFMQABFLZBZKP-NWDGAFQWSA-N 0 0 459.446 4.914 20 5 JJBDRN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001438491034 1065725781 /nfs/dbraw/zinc/72/57/81/1065725781.db2.gz TYIWQBQJWNLASS-LJQANCHMSA-N 0 0 452.292 4.587 20 5 JJBDRN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001360686695 1065735984 /nfs/dbraw/zinc/73/59/84/1065735984.db2.gz GFIDYARXSKXTTC-VQTJNVASSA-N 0 0 455.312 4.539 20 5 JJBDRN CC(C)(C)c1noc(COc2ccc(OC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC001360697894 1065739099 /nfs/dbraw/zinc/73/90/99/1065739099.db2.gz RFWGZUAHPHUYPV-UHFFFAOYSA-N 0 0 457.458 4.877 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001438667811 1065741870 /nfs/dbraw/zinc/74/18/70/1065741870.db2.gz YFICJPWJASEVRH-QGZVFWFLSA-N 0 0 453.539 4.603 20 5 JJBDRN C[C@@H](OC(=O)c1cc(Br)nn1-c1ncccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001438800112 1065753148 /nfs/dbraw/zinc/75/31/48/1065753148.db2.gz BGFKOOCXUBSMKO-SNVBAGLBSA-N 0 0 451.664 4.509 20 5 JJBDRN COc1ccc(Cc2nc3cc(NC(=O)C(F)(F)c4ccc([N+](=O)[O-])cc4)ccc3[nH]2)cc1 ZINC001438854014 1065758448 /nfs/dbraw/zinc/75/84/48/1065758448.db2.gz LHWJUMMAGBJMGK-UHFFFAOYSA-N 0 0 452.417 4.801 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC001438913742 1065765567 /nfs/dbraw/zinc/76/55/67/1065765567.db2.gz CSVGWLTUVZRKJR-UHFFFAOYSA-N 0 0 453.257 4.654 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC001438932477 1065767875 /nfs/dbraw/zinc/76/78/75/1065767875.db2.gz AHDXJJREGAZXIN-QGZVFWFLSA-N 0 0 451.342 4.513 20 5 JJBDRN COc1cccc([C@@H]2CCN(C(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2(C)C)c1 ZINC001438964653 1065772061 /nfs/dbraw/zinc/77/20/61/1065772061.db2.gz JYHMCBQBUAWZDR-INIZCTEOSA-N 0 0 450.438 4.622 20 5 JJBDRN O=C(NCc1cc2cc(Br)ccc2o1)c1c(Br)cccc1[N+](=O)[O-] ZINC001438967364 1065772552 /nfs/dbraw/zinc/77/25/52/1065772552.db2.gz PCMJYAQUUCGTPR-UHFFFAOYSA-N 0 0 454.074 4.796 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC001439110084 1065787416 /nfs/dbraw/zinc/78/74/16/1065787416.db2.gz CFMWGSZBHFBDLR-LBPRGKRZSA-N 0 0 453.720 4.626 20 5 JJBDRN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001439216742 1065799987 /nfs/dbraw/zinc/79/99/87/1065799987.db2.gz QHEQUOPQTFBHIU-LJQANCHMSA-N 0 0 456.564 4.842 20 5 JJBDRN COc1ccc(CSCC(=O)Nc2cnccc2-c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC001439243525 1065803657 /nfs/dbraw/zinc/80/36/57/1065803657.db2.gz SXEHHBORVBGWQQ-UHFFFAOYSA-N 0 0 452.536 4.603 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1Cl ZINC001439638601 1065851126 /nfs/dbraw/zinc/85/11/26/1065851126.db2.gz ODPQAFBJGBRNTF-UHFFFAOYSA-N 0 0 457.836 4.660 20 5 JJBDRN CC(C)(C(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)n1cc([N+](=O)[O-])cn1 ZINC001439758528 1065871656 /nfs/dbraw/zinc/87/16/56/1065871656.db2.gz SBIZCBCAXCCRSU-UHFFFAOYSA-N 0 0 458.902 4.666 20 5 JJBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(OC(F)(F)F)ccc1Br ZINC001439797544 1065879879 /nfs/dbraw/zinc/87/98/79/1065879879.db2.gz HNFSEMXHVLDRKF-UHFFFAOYSA-N 0 0 458.190 4.918 20 5 JJBDRN CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(C)(C)C2)CC1 ZINC001360802079 1065913163 /nfs/dbraw/zinc/91/31/63/1065913163.db2.gz XDHLTGGUTXWLPP-UHFFFAOYSA-N 0 0 484.601 4.783 20 5 JJBDRN CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360803074 1065914893 /nfs/dbraw/zinc/91/48/93/1065914893.db2.gz SZAFTNZCDRXINS-JOCHJYFZSA-N 0 0 481.519 4.963 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC001440353422 1065932259 /nfs/dbraw/zinc/93/22/59/1065932259.db2.gz MAECABQNSBFTCT-UHFFFAOYSA-N 0 0 458.927 4.836 20 5 JJBDRN Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440384264 1065935298 /nfs/dbraw/zinc/93/52/98/1065935298.db2.gz JDDIFOHHCXKJSP-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN Cc1nc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)ccc1Br ZINC001360844601 1065953367 /nfs/dbraw/zinc/95/33/67/1065953367.db2.gz HDTUFHAZMLECLX-CYBMUJFWSA-N 0 0 456.300 4.881 20 5 JJBDRN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001360847740 1065956507 /nfs/dbraw/zinc/95/65/07/1065956507.db2.gz XTLWJIYWTNLLSM-SFHVURJKSA-N 0 0 484.601 4.783 20 5 JJBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)nc(C(F)(F)F)c1 ZINC001440635329 1065956608 /nfs/dbraw/zinc/95/66/08/1065956608.db2.gz JXIVVMSKUARSLV-UHFFFAOYSA-N 0 0 456.730 4.523 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC001360849912 1065960215 /nfs/dbraw/zinc/96/02/15/1065960215.db2.gz NBDVDSBUIYZFJC-UHFFFAOYSA-N 0 0 450.495 4.728 20 5 JJBDRN CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360851383 1065964586 /nfs/dbraw/zinc/96/45/86/1065964586.db2.gz JAPUCSWGQBYZHB-HZPDHXFCSA-N 0 0 476.375 4.547 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC001360852682 1065967959 /nfs/dbraw/zinc/96/79/59/1065967959.db2.gz LJPWFMIDJBKIII-UHFFFAOYSA-N 0 0 450.234 4.904 20 5 JJBDRN C[C@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC001440709551 1065969116 /nfs/dbraw/zinc/96/91/16/1065969116.db2.gz NFVNPINEQVESDU-AWEZNQCLSA-N 0 0 454.324 4.890 20 5 JJBDRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001440732016 1065971934 /nfs/dbraw/zinc/97/19/34/1065971934.db2.gz GHZJEWSQLDQZHN-HXUWFJFHSA-N 0 0 456.955 4.939 20 5 JJBDRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C)c1 ZINC001360864086 1065982562 /nfs/dbraw/zinc/98/25/62/1065982562.db2.gz NFBPGOLFQUKPSU-UHFFFAOYSA-N 0 0 459.510 4.528 20 5 JJBDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 ZINC001440850555 1065983542 /nfs/dbraw/zinc/98/35/42/1065983542.db2.gz FVMFKIIJIHNIBB-UHFFFAOYSA-N 0 0 450.445 4.742 20 5 JJBDRN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(I)cc1Cl ZINC001441326429 1066028896 /nfs/dbraw/zinc/02/88/96/1066028896.db2.gz JQFWESARAQYLQH-UHFFFAOYSA-N 0 0 451.047 4.687 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC001441483257 1066045993 /nfs/dbraw/zinc/04/59/93/1066045993.db2.gz OPZLVZLAUBMWHB-UHFFFAOYSA-N 0 0 453.886 4.728 20 5 JJBDRN CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001441555976 1066050818 /nfs/dbraw/zinc/05/08/18/1066050818.db2.gz AHKAIZSSXSMKLK-UHFFFAOYSA-N 0 0 457.552 4.875 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001441567098 1066051582 /nfs/dbraw/zinc/05/15/82/1066051582.db2.gz VPMVFXHXRDEJQA-UHFFFAOYSA-N 0 0 451.589 4.862 20 5 JJBDRN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001441617755 1066054709 /nfs/dbraw/zinc/05/47/09/1066054709.db2.gz YSRUXUJNWZKJRP-VGSWGCGISA-N 0 0 456.514 4.813 20 5 JJBDRN O=C(c1cc2c(Br)cccc2cn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001360902653 1066056331 /nfs/dbraw/zinc/05/63/31/1066056331.db2.gz QNHGKPQQTBWVHH-UHFFFAOYSA-N 0 0 456.296 4.589 20 5 JJBDRN C[C@H](SCc1ccccc1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441741713 1066066416 /nfs/dbraw/zinc/06/64/16/1066066416.db2.gz WKMXKUXRXLTKHU-RXVVDRJESA-N 0 0 456.564 4.845 20 5 JJBDRN C[C@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001441752294 1066067681 /nfs/dbraw/zinc/06/76/81/1066067681.db2.gz LSVIVVUUFUDXSS-MGPUTAFESA-N 0 0 453.495 4.654 20 5 JJBDRN Cc1ncsc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1cccs1 ZINC001360920620 1066077095 /nfs/dbraw/zinc/07/70/95/1066077095.db2.gz ZFKWRPFKHZOOEN-UHFFFAOYSA-N 0 0 454.581 4.601 20 5 JJBDRN COc1cc(C(=O)NC[C@H](C)Cn2ccnc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001441897581 1066080033 /nfs/dbraw/zinc/08/00/33/1066080033.db2.gz UXYABJHJKSDVIQ-AWEZNQCLSA-N 0 0 458.902 4.620 20 5 JJBDRN O=C(c1cc(N2CCNC2=O)ccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001360925984 1066082273 /nfs/dbraw/zinc/08/22/73/1066082273.db2.gz UUZUSPMADOESLI-UHFFFAOYSA-N 0 0 450.882 4.625 20 5 JJBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC001442100216 1066092943 /nfs/dbraw/zinc/09/29/43/1066092943.db2.gz KEPLAJXLCUYCFA-UHFFFAOYSA-N 0 0 456.336 4.880 20 5 JJBDRN Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@@H](C(C)C)C2)cnn1CC(C)C ZINC001360959745 1066117165 /nfs/dbraw/zinc/11/71/65/1066117165.db2.gz OQCYCJAYEMBTCK-JOCHJYFZSA-N 0 0 483.642 4.640 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001360959832 1066117580 /nfs/dbraw/zinc/11/75/80/1066117580.db2.gz RGWSHTRNOGDCCA-UHFFFAOYSA-N 0 0 478.456 4.915 20 5 JJBDRN Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001360959754 1066117592 /nfs/dbraw/zinc/11/75/92/1066117592.db2.gz ORHJVNVTEXZTAV-IEBWSBKVSA-N 0 0 496.568 4.543 20 5 JJBDRN COc1ccccc1C[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001442438402 1066127352 /nfs/dbraw/zinc/12/73/52/1066127352.db2.gz WAIDNMKADVEZRR-QGZVFWFLSA-N 0 0 451.445 4.658 20 5 JJBDRN Cc1c(Cn2c([C@@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1CC(C)C ZINC001360971812 1066127497 /nfs/dbraw/zinc/12/74/97/1066127497.db2.gz XSICLGJAXMTALT-JOCHJYFZSA-N 0 0 495.628 4.705 20 5 JJBDRN CCO[C@H]1C[C@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1(C)C ZINC001360980306 1066138570 /nfs/dbraw/zinc/13/85/70/1066138570.db2.gz UQUPADCNXMJDFG-SFTDATJTSA-N 0 0 456.564 4.823 20 5 JJBDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(Cc2ccco2)C(C)C)c(C)o1 ZINC001360997206 1066175651 /nfs/dbraw/zinc/17/56/51/1066175651.db2.gz CJWBIQFJNXAIGS-RUZDIDTESA-N 0 0 479.537 4.979 20 5 JJBDRN O=C(NCc1cccc(Cl)c1F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001361002075 1066179092 /nfs/dbraw/zinc/17/90/92/1066179092.db2.gz KRKNWMHKOWRIKL-UHFFFAOYSA-N 0 0 459.827 4.939 20 5 JJBDRN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001443087911 1066264895 /nfs/dbraw/zinc/26/48/95/1066264895.db2.gz FDRTUABFRPQAQX-UHFFFAOYSA-N 0 0 457.418 4.962 20 5 JJBDRN CC(=O)Oc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c2ccccc12 ZINC001454376246 1066276781 /nfs/dbraw/zinc/27/67/81/1066276781.db2.gz BMXYJZBDSGTMBM-UHFFFAOYSA-N 0 0 458.474 4.787 20 5 JJBDRN Cc1c(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001454440254 1066282966 /nfs/dbraw/zinc/28/29/66/1066282966.db2.gz PUSSRZNHQHRKDP-UHFFFAOYSA-N 0 0 456.783 4.830 20 5 JJBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC001443312094 1066294349 /nfs/dbraw/zinc/29/43/49/1066294349.db2.gz QKDDNWSZDNXERX-UHFFFAOYSA-N 0 0 457.939 4.932 20 5 JJBDRN COc1cc(C(=O)N2CCc3c(O)cccc3C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001454559022 1066301243 /nfs/dbraw/zinc/30/12/43/1066301243.db2.gz ZQOJGUHXFVFHBY-UHFFFAOYSA-N 0 0 454.866 4.953 20 5 JJBDRN CN(CCc1ccccc1F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001443393257 1066305435 /nfs/dbraw/zinc/30/54/35/1066305435.db2.gz QVORMUUVRNLEAG-UHFFFAOYSA-N 0 0 458.493 4.830 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCC[C@H]3[C@H](O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC001454592167 1066306261 /nfs/dbraw/zinc/30/62/61/1066306261.db2.gz PBZMDCODFRTNSK-FXAWDEMLSA-N 0 0 455.561 4.849 20 5 JJBDRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc([N+](=O)[O-])ccc1Br ZINC001361072582 1066313400 /nfs/dbraw/zinc/31/34/00/1066313400.db2.gz IGZJOVQXUBUCJD-UHFFFAOYSA-N 0 0 453.705 4.705 20 5 JJBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001454653421 1066315344 /nfs/dbraw/zinc/31/53/44/1066315344.db2.gz AYBUXRBXSATYAN-OCCSQVGLSA-N 0 0 456.296 4.629 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC001443487680 1066317366 /nfs/dbraw/zinc/31/73/66/1066317366.db2.gz HXBJUPAHGZJRNQ-XMMPIXPASA-N 0 0 454.527 4.762 20 5 JJBDRN CCOc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 ZINC001443504301 1066320334 /nfs/dbraw/zinc/32/03/34/1066320334.db2.gz QTGKHLWOXNBWTR-UHFFFAOYSA-N 0 0 450.476 4.683 20 5 JJBDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001454714229 1066325275 /nfs/dbraw/zinc/32/52/75/1066325275.db2.gz PZKZBYHBWCPZFP-CJNGLKHVSA-N 0 0 461.646 4.549 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1)OC ZINC001545960338 1066333196 /nfs/dbraw/zinc/33/31/96/1066333196.db2.gz BFBDALUUZILGTM-IAGOWNOFSA-N 0 0 477.974 4.571 20 5 JJBDRN COc1ccc([C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2Cl)c(C)c1 ZINC001361090244 1066338420 /nfs/dbraw/zinc/33/84/20/1066338420.db2.gz DGGGXAMVFGERJR-QFIPXVFZSA-N 0 0 456.930 4.674 20 5 JJBDRN C[C@]1(C(F)(F)F)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCO1 ZINC001454968875 1066347901 /nfs/dbraw/zinc/34/79/01/1066347901.db2.gz ICVZROCWKWXMAA-LJQANCHMSA-N 0 0 457.836 4.654 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(C)C)NC(=O)OC(C)(C)C ZINC001545961083 1066349434 /nfs/dbraw/zinc/34/94/34/1066349434.db2.gz OFYSZJPXGZRYDT-GOSISDBHSA-N 0 0 460.579 4.639 20 5 JJBDRN CCc1[nH]n(C)c2nnc(NC(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])c1-2 ZINC001443830796 1066373550 /nfs/dbraw/zinc/37/35/50/1066373550.db2.gz DIPQQJXFEFQCJG-UHFFFAOYSA-N 0 0 456.915 4.824 20 5 JJBDRN O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001455267229 1066377436 /nfs/dbraw/zinc/37/74/36/1066377436.db2.gz JZJOHJGNVOVMTO-CYBMUJFWSA-N 0 0 458.081 4.676 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC[C@H](N2CCCC2=O)C1 ZINC001443864765 1066378162 /nfs/dbraw/zinc/37/81/62/1066378162.db2.gz JHWOVSFKNRMGJB-KRWDZBQOSA-N 0 0 459.955 4.626 20 5 JJBDRN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c2ccccc21 ZINC001455276427 1066378987 /nfs/dbraw/zinc/37/89/87/1066378987.db2.gz CHEUXEXUGONPTM-IRLDBZIGSA-N 0 0 462.458 4.527 20 5 JJBDRN Cc1cc(Cl)c(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001455406261 1066386931 /nfs/dbraw/zinc/38/69/31/1066386931.db2.gz BVRKZJXAQPJHFA-KRWDZBQOSA-N 0 0 459.930 4.648 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C[S@](C)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001444003131 1066393550 /nfs/dbraw/zinc/39/35/50/1066393550.db2.gz TVDSIQIEYKQCLG-GEFUHLBYSA-N 0 0 454.573 4.904 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@H](C[S@](C)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001444003154 1066393587 /nfs/dbraw/zinc/39/35/87/1066393587.db2.gz TVDSIQIEYKQCLG-QJWGWKRISA-N 0 0 454.573 4.904 20 5 JJBDRN CO[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001361133452 1066403846 /nfs/dbraw/zinc/40/38/46/1066403846.db2.gz RMDZXWCATBASBL-NYHFZMIOSA-N 0 0 454.914 4.934 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC001546076526 1066435671 /nfs/dbraw/zinc/43/56/71/1066435671.db2.gz SDMMMEGNGFZANJ-UHFFFAOYSA-N 0 0 451.589 4.910 20 5 JJBDRN CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC001444274377 1066441902 /nfs/dbraw/zinc/44/19/02/1066441902.db2.gz VJRYNHAPSIUXML-JOCHJYFZSA-N 0 0 454.477 4.518 20 5 JJBDRN C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ccc(Cl)cc1 ZINC001444382075 1066456054 /nfs/dbraw/zinc/45/60/54/1066456054.db2.gz BXBKBXXBMGOPRW-HNNXBMFYSA-N 0 0 452.898 4.914 20 5 JJBDRN C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001455938272 1066456419 /nfs/dbraw/zinc/45/64/19/1066456419.db2.gz HFKADRLEJNWXKF-CQSZACIVSA-N 0 0 455.864 4.794 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C ZINC001455999677 1066469801 /nfs/dbraw/zinc/46/98/01/1066469801.db2.gz CPKPYQDSIYTOKK-UHFFFAOYSA-N 0 0 454.792 4.928 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CCC[C@@H](O)C1 ZINC001444558728 1066475769 /nfs/dbraw/zinc/47/57/69/1066475769.db2.gz SWNWFLOMGNSVSS-PVWSBCNRSA-N 0 0 451.548 4.803 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC001444618193 1066484286 /nfs/dbraw/zinc/48/42/86/1066484286.db2.gz DXTZCKDIVCPFKX-UHFFFAOYSA-N 0 0 453.398 4.801 20 5 JJBDRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444636108 1066486614 /nfs/dbraw/zinc/48/66/14/1066486614.db2.gz HQXYDTUEAXXUDC-LJQANCHMSA-N 0 0 452.898 4.549 20 5 JJBDRN O=C(NC[C@@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001444672152 1066491642 /nfs/dbraw/zinc/49/16/42/1066491642.db2.gz PWRFUZBUIBEQTI-KRWDZBQOSA-N 0 0 456.951 4.980 20 5 JJBDRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001456057197 1066496661 /nfs/dbraw/zinc/49/66/61/1066496661.db2.gz QFDYAEHPXOAOJQ-OYHNWAKOSA-N 0 0 453.967 4.771 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC001444728362 1066498083 /nfs/dbraw/zinc/49/80/83/1066498083.db2.gz BKAZUGWFVOHWKI-XIKOKIGWSA-N 0 0 457.836 4.652 20 5 JJBDRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc12 ZINC001456068019 1066501267 /nfs/dbraw/zinc/50/12/67/1066501267.db2.gz QOZUWQLYQIFNJP-UHFFFAOYSA-N 0 0 456.911 4.766 20 5 JJBDRN O=C(c1cn(-c2cccc(Cl)c2F)nn1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001361184971 1066508692 /nfs/dbraw/zinc/50/86/92/1066508692.db2.gz AKGBEIAWIKCGMT-UHFFFAOYSA-N 0 0 451.845 4.815 20 5 JJBDRN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])CCO2 ZINC001444851607 1066512645 /nfs/dbraw/zinc/51/26/45/1066512645.db2.gz FHNTTXBTLXEWFO-LJQANCHMSA-N 0 0 450.495 4.616 20 5 JJBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001456148724 1066522535 /nfs/dbraw/zinc/52/25/35/1066522535.db2.gz CVPSESKTMQSPCU-UHFFFAOYSA-N 0 0 459.428 4.779 20 5 JJBDRN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001456164245 1066526627 /nfs/dbraw/zinc/52/66/27/1066526627.db2.gz QRTLRGKIWPLVDX-KSFYIVLOSA-N 0 0 459.905 4.788 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC001456167702 1066527080 /nfs/dbraw/zinc/52/70/80/1066527080.db2.gz ATZNLHVXWRXYQK-SNVBAGLBSA-N 0 0 454.701 4.686 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001456214100 1066539141 /nfs/dbraw/zinc/53/91/41/1066539141.db2.gz QUTCOVMZVYGXMZ-KRWDZBQOSA-N 0 0 451.589 4.814 20 5 JJBDRN COc1cccc(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1OC1CCCC1 ZINC001456240280 1066542837 /nfs/dbraw/zinc/54/28/37/1066542837.db2.gz KFSWHXGKVORTHJ-UHFFFAOYSA-N 0 0 453.520 4.978 20 5 JJBDRN Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361210108 1066543264 /nfs/dbraw/zinc/54/32/64/1066543264.db2.gz ATKVCNGHGUAXSQ-MRXNPFEDSA-N 0 0 496.568 4.573 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001456272654 1066551885 /nfs/dbraw/zinc/55/18/85/1066551885.db2.gz ZHJCQBPGGRWQRL-AWEZNQCLSA-N 0 0 453.401 4.657 20 5 JJBDRN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCOc2cc(Br)c(Cl)cc21 ZINC001361216996 1066552616 /nfs/dbraw/zinc/55/26/16/1066552616.db2.gz AYRCSEJVZAPVFG-UHFFFAOYSA-N 0 0 452.692 4.624 20 5 JJBDRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc2ccccc2c2cccnc12 ZINC001445427725 1066570384 /nfs/dbraw/zinc/57/03/84/1066570384.db2.gz SPXWPXVDEAVOHL-SFHVURJKSA-N 0 0 454.448 4.919 20 5 JJBDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc([N+](=O)[O-])ccc2I)o1 ZINC001361233437 1066574309 /nfs/dbraw/zinc/57/43/09/1066574309.db2.gz FZVCBORDNNTAQU-BDJLRTHQSA-N 0 0 454.264 4.714 20 5 JJBDRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001445469454 1066574642 /nfs/dbraw/zinc/57/46/42/1066574642.db2.gz XKNJZFGNMFXDTJ-UHFFFAOYSA-N 0 0 452.338 4.911 20 5 JJBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001445491463 1066577969 /nfs/dbraw/zinc/57/79/69/1066577969.db2.gz KHAZSZYPPWENPR-UHFFFAOYSA-N 0 0 453.392 4.707 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC001456397105 1066578048 /nfs/dbraw/zinc/57/80/48/1066578048.db2.gz UBVONVOROOIQAZ-MHZLTWQESA-N 0 0 453.358 4.965 20 5 JJBDRN O=C(Nc1cc(-c2ccccc2)ns1)c1cc(I)cc([N+](=O)[O-])c1 ZINC001456488361 1066596835 /nfs/dbraw/zinc/59/68/35/1066596835.db2.gz GFVSLSFVNKQXIU-UHFFFAOYSA-N 0 0 451.245 4.575 20 5 JJBDRN CC(C)(CNC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001361253961 1066601805 /nfs/dbraw/zinc/60/18/05/1066601805.db2.gz KWVGDJKKMQFTOU-UHFFFAOYSA-N 0 0 458.683 4.560 20 5 JJBDRN COc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2Cl)c1 ZINC001456522514 1066612339 /nfs/dbraw/zinc/61/23/39/1066612339.db2.gz QJVUQLQRQVWHTG-NRFANRHFSA-N 0 0 454.866 4.547 20 5 JJBDRN CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001456545458 1066621338 /nfs/dbraw/zinc/62/13/38/1066621338.db2.gz CGJIQCBGOBOQLK-MOPGFXCFSA-N 0 0 456.486 4.795 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N(C[C@@H]3CCCO3)c3ccncc3)cc2[N+](=O)[O-])n1 ZINC001456562923 1066625763 /nfs/dbraw/zinc/62/57/63/1066625763.db2.gz QUSFLYPDCOXSGZ-KRWDZBQOSA-N 0 0 456.549 4.732 20 5 JJBDRN Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)s1 ZINC001361272280 1066626222 /nfs/dbraw/zinc/62/62/22/1066626222.db2.gz DRPQZBLVWCFXHN-YWZLYKJASA-N 0 0 498.609 4.621 20 5 JJBDRN COc1ccc2c(c1)CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H](c1ccccc1)C2 ZINC001445862226 1066627911 /nfs/dbraw/zinc/62/79/11/1066627911.db2.gz DMYZACZUOCIDKE-IBGZPJMESA-N 0 0 455.873 4.918 20 5 JJBDRN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2I)cc1 ZINC001456582853 1066631601 /nfs/dbraw/zinc/63/16/01/1066631601.db2.gz GPXZAEUZZFLGOH-SFHVURJKSA-N 0 0 450.276 4.875 20 5 JJBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1OC1CCOCC1 ZINC001456600644 1066638665 /nfs/dbraw/zinc/63/86/65/1066638665.db2.gz QKMSXBRLKYJTKM-UHFFFAOYSA-N 0 0 453.539 4.950 20 5 JJBDRN CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001456604269 1066640218 /nfs/dbraw/zinc/64/02/18/1066640218.db2.gz XLCIAAPVSXNRQC-QGZVFWFLSA-N 0 0 454.527 4.715 20 5 JJBDRN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456604990 1066640868 /nfs/dbraw/zinc/64/08/68/1066640868.db2.gz WIIBVGBLCFGFKZ-ROUUACIJSA-N 0 0 459.930 4.900 20 5 JJBDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001456622747 1066648408 /nfs/dbraw/zinc/64/84/08/1066648408.db2.gz IIAVFGQHJAMFQR-UHFFFAOYSA-N 0 0 458.515 4.618 20 5 JJBDRN COc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001456627637 1066650293 /nfs/dbraw/zinc/65/02/93/1066650293.db2.gz RMBAXAHTSWFKIU-UHFFFAOYSA-N 0 0 450.466 4.783 20 5 JJBDRN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(SC)cc1OC ZINC001456708906 1066672116 /nfs/dbraw/zinc/67/21/16/1066672116.db2.gz WLPUNLCIGIILBB-UHFFFAOYSA-N 0 0 459.568 4.596 20 5 JJBDRN Nc1c(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC001446421599 1066703633 /nfs/dbraw/zinc/70/36/33/1066703633.db2.gz MPUUAKCWCDPUSW-IBGZPJMESA-N 0 0 452.308 4.879 20 5 JJBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC001456866026 1066709710 /nfs/dbraw/zinc/70/97/10/1066709710.db2.gz VHLVVNQWNDZQEY-QFIPXVFZSA-N 0 0 454.324 4.949 20 5 JJBDRN O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC001456897635 1066716827 /nfs/dbraw/zinc/71/68/27/1066716827.db2.gz RXYHENHKVIGENY-UHFFFAOYSA-N 0 0 450.676 4.527 20 5 JJBDRN O=C(c1cc(Cl)cc(F)c1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001456931349 1066724989 /nfs/dbraw/zinc/72/49/89/1066724989.db2.gz PXWZQWMXYKFWFK-UHFFFAOYSA-N 0 0 457.683 4.833 20 5 JJBDRN Cc1cc(C(F)(F)F)n2nc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2n1 ZINC001456958431 1066729797 /nfs/dbraw/zinc/72/97/97/1066729797.db2.gz JWSFKOMMPGILAG-UHFFFAOYSA-N 0 0 455.396 4.812 20 5 JJBDRN COc1ccc(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(OC)c1OC ZINC001456960396 1066729822 /nfs/dbraw/zinc/72/98/22/1066729822.db2.gz PFTYISFBBIWOIY-UHFFFAOYSA-N 0 0 450.491 4.787 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C ZINC001456990864 1066737493 /nfs/dbraw/zinc/73/74/93/1066737493.db2.gz OETFTJLVMXWHEV-UHFFFAOYSA-N 0 0 450.474 4.784 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC001457014549 1066742716 /nfs/dbraw/zinc/74/27/16/1066742716.db2.gz JSRLHHRGZKSCCI-OAQYLSRUSA-N 0 0 456.882 4.793 20 5 JJBDRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001457016476 1066743762 /nfs/dbraw/zinc/74/37/62/1066743762.db2.gz MIKKZXRCENOMNT-OAHLLOKOSA-N 0 0 452.292 4.601 20 5 JJBDRN Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001492646119 1066748998 /nfs/dbraw/zinc/74/89/98/1066748998.db2.gz WGJXPNIGVSXNMP-UHFFFAOYSA-N 0 0 498.609 4.727 20 5 JJBDRN CC1(C)CCC[C@@H](c2cccc(NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001457032188 1066749023 /nfs/dbraw/zinc/74/90/23/1066749023.db2.gz RMLZQVLTRHRHFY-GOSISDBHSA-N 0 0 459.568 4.586 20 5 JJBDRN O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001447010008 1066764896 /nfs/dbraw/zinc/76/48/96/1066764896.db2.gz NVPSJIGLWKVINC-INIZCTEOSA-N 0 0 456.327 4.620 20 5 JJBDRN Cc1nc(C)c(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)s1 ZINC001492655197 1066765722 /nfs/dbraw/zinc/76/57/22/1066765722.db2.gz MMKOPJQEEPYIBJ-SJKOYZFVSA-N 0 0 480.516 4.804 20 5 JJBDRN Cc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@@H](C(C)C)C2)s1 ZINC001492659297 1066775289 /nfs/dbraw/zinc/77/52/89/1066775289.db2.gz WSILVGMKMWMDHC-GOSISDBHSA-N 0 0 458.613 4.553 20 5 JJBDRN C[C@@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC001457181809 1066781275 /nfs/dbraw/zinc/78/12/75/1066781275.db2.gz AQRREMIICUFIIP-SNVBAGLBSA-N 0 0 457.792 4.994 20 5 JJBDRN Cc1cc(CC(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC001457203742 1066788718 /nfs/dbraw/zinc/78/87/18/1066788718.db2.gz MZYODRZNQPFOPV-UHFFFAOYSA-N 0 0 450.234 4.598 20 5 JJBDRN CCc1ccc(C(=O)OCc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)cc1S(C)(=O)=O ZINC001457283254 1066804006 /nfs/dbraw/zinc/80/40/06/1066804006.db2.gz ALAOTUKKYSDXLP-UHFFFAOYSA-N 0 0 455.488 4.710 20 5 JJBDRN C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001447401792 1066804032 /nfs/dbraw/zinc/80/40/32/1066804032.db2.gz PDUPJUGCKVJOJT-KRWDZBQOSA-N 0 0 452.511 4.794 20 5 JJBDRN COc1ccc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1SC(F)(F)F ZINC001457297521 1066806426 /nfs/dbraw/zinc/80/64/26/1066806426.db2.gz YHGJVJKGIPWNGJ-UHFFFAOYSA-N 0 0 453.398 4.758 20 5 JJBDRN O=C(NC[C@H](Cc1ccccc1)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001457314231 1066808160 /nfs/dbraw/zinc/80/81/60/1066808160.db2.gz QTKWBRMCEBCUCB-HNNXBMFYSA-N 0 0 458.287 4.648 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2c(F)c(F)cc(F)c2F)cc1 ZINC001457400488 1066823117 /nfs/dbraw/zinc/82/31/17/1066823117.db2.gz QOTYKXSYRFRYLT-UHFFFAOYSA-N 0 0 450.344 4.882 20 5 JJBDRN O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1I ZINC001457425683 1066829762 /nfs/dbraw/zinc/82/97/62/1066829762.db2.gz ZLZPYUVRFDZLEI-UHFFFAOYSA-N 0 0 456.211 4.522 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC001457490162 1066841755 /nfs/dbraw/zinc/84/17/55/1066841755.db2.gz BFFQTIHFTGESAD-GJZGRUSLSA-N 0 0 450.919 4.546 20 5 JJBDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001457515521 1066848427 /nfs/dbraw/zinc/84/84/27/1066848427.db2.gz GHDSPBBKPAYUBW-JOCHJYFZSA-N 0 0 450.539 4.982 20 5 JJBDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001447777939 1066856383 /nfs/dbraw/zinc/85/63/83/1066856383.db2.gz HDVLTVIFASBMQR-XIKOKIGWSA-N 0 0 453.720 4.542 20 5 JJBDRN COc1c(F)cc(F)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001457563409 1066862032 /nfs/dbraw/zinc/86/20/32/1066862032.db2.gz LOWWUHOLCXXKBD-UHFFFAOYSA-N 0 0 459.371 4.756 20 5 JJBDRN CN1CCc2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)cc2C1=O ZINC001457564517 1066862540 /nfs/dbraw/zinc/86/25/40/1066862540.db2.gz KCUYQVYAIPTMHY-UHFFFAOYSA-N 0 0 451.866 4.921 20 5 JJBDRN CC[C@H](C)n1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1-c1ccccc1 ZINC001457570120 1066866774 /nfs/dbraw/zinc/86/67/74/1066866774.db2.gz BQMZLXJCFBYPSN-INIZCTEOSA-N 0 0 451.552 4.501 20 5 JJBDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001447973596 1066886079 /nfs/dbraw/zinc/88/60/79/1066886079.db2.gz QRIPQGZWBBCHMF-MRXNPFEDSA-N 0 0 457.328 4.841 20 5 JJBDRN O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001457630586 1066886334 /nfs/dbraw/zinc/88/63/34/1066886334.db2.gz BKYRMTCCHYCMFG-JOCHJYFZSA-N 0 0 453.857 4.864 20 5 JJBDRN COc1cc(OC)c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Br ZINC001448028188 1066892134 /nfs/dbraw/zinc/89/21/34/1066892134.db2.gz YEROPOUZSAKNSU-UHFFFAOYSA-N 0 0 453.292 4.713 20 5 JJBDRN COc1ccc(F)cc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001448122383 1066902075 /nfs/dbraw/zinc/90/20/75/1066902075.db2.gz UEKJUTSWPNVBSG-UHFFFAOYSA-N 0 0 457.845 4.578 20 5 JJBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc(Br)c(Br)c1 ZINC001457752957 1066911883 /nfs/dbraw/zinc/91/18/83/1066911883.db2.gz MFIAONFTHQMCFL-NSHDSACASA-N 0 0 457.122 4.722 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc(Br)c(Br)c1 ZINC001457752955 1066911926 /nfs/dbraw/zinc/91/19/26/1066911926.db2.gz MFIAONFTHQMCFL-LLVKDONJSA-N 0 0 457.122 4.722 20 5 JJBDRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001457768013 1066914348 /nfs/dbraw/zinc/91/43/48/1066914348.db2.gz WIXUAEYJOQZWFA-ALOPSCKCSA-N 0 0 451.951 4.618 20 5 JJBDRN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC001448247866 1066915343 /nfs/dbraw/zinc/91/53/43/1066915343.db2.gz MZGJHOAVMHJFJA-FQEVSTJZSA-N 0 0 459.296 4.521 20 5 JJBDRN Cc1cc(C)n(CCCn2c(-c3cccn3C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001492760747 1066933095 /nfs/dbraw/zinc/93/30/95/1066933095.db2.gz POKYCFLGHKLUPS-UHFFFAOYSA-N 0 0 476.585 4.510 20 5 JJBDRN C[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457892949 1066937717 /nfs/dbraw/zinc/93/77/17/1066937717.db2.gz GWBZKNQZIMPRHV-QRWLVFNGSA-N 0 0 450.495 4.984 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001448577242 1066939752 /nfs/dbraw/zinc/93/97/52/1066939752.db2.gz MRABVZCRJHMXEK-MQMHXKEQSA-N 0 0 455.820 4.901 20 5 JJBDRN Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001492788186 1066949622 /nfs/dbraw/zinc/94/96/22/1066949622.db2.gz JNNSDOLKPAEQLF-UHFFFAOYSA-N 0 0 475.475 4.580 20 5 JJBDRN CC(C)(C)c1ccc(-c2ccc(C(=O)NCCNc3ncnc4ccc([N+](=O)[O-])cc43)o2)cc1 ZINC001448724163 1066953939 /nfs/dbraw/zinc/95/39/39/1066953939.db2.gz LXNMSHNNXKBGAR-UHFFFAOYSA-N 0 0 459.506 4.937 20 5 JJBDRN Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCc1ccc(Br)s1 ZINC001492815902 1066954360 /nfs/dbraw/zinc/95/43/60/1066954360.db2.gz SZOGHUMBWXVXOF-UHFFFAOYSA-N 0 0 492.399 4.609 20 5 JJBDRN O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC001458001178 1066955848 /nfs/dbraw/zinc/95/58/48/1066955848.db2.gz VFJLFQRLACJMGE-UHFFFAOYSA-N 0 0 450.289 4.725 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001448770695 1066956243 /nfs/dbraw/zinc/95/62/43/1066956243.db2.gz GZIYGWLFTSWBJU-AWEZNQCLSA-N 0 0 458.729 4.719 20 5 JJBDRN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(SCCC(C)C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC001448819210 1066959352 /nfs/dbraw/zinc/95/93/52/1066959352.db2.gz QIWHROQNGFBHDH-HXUWFJFHSA-N 0 0 455.580 4.572 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC001458050204 1066961167 /nfs/dbraw/zinc/96/11/67/1066961167.db2.gz PXHCOHBOBDKNAS-ZDUSSCGKSA-N 0 0 456.362 4.561 20 5 JJBDRN CN(c1ccc(Oc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1)S(=O)(=O)c1ccccc1F ZINC001458058236 1066964021 /nfs/dbraw/zinc/96/40/21/1066964021.db2.gz HWHIXDIUDWTTPC-UHFFFAOYSA-N 0 0 457.483 4.625 20 5 JJBDRN COc1ccc(Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c(OC)c1 ZINC001458072386 1066967156 /nfs/dbraw/zinc/96/71/56/1066967156.db2.gz QLGRVVZTQRWXFE-UHFFFAOYSA-N 0 0 457.508 4.773 20 5 JJBDRN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001458079003 1066969106 /nfs/dbraw/zinc/96/91/06/1066969106.db2.gz DAPTWNAALOTBJT-UHFFFAOYSA-N 0 0 451.311 4.926 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Sc1nc(-c2ccccc2)c[nH]1 ZINC001458090184 1066971354 /nfs/dbraw/zinc/97/13/54/1066971354.db2.gz CFADPQOMWLSDQO-UHFFFAOYSA-N 0 0 458.565 4.701 20 5 JJBDRN COc1cc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(Cl)cc1[N+](=O)[O-] ZINC001458094301 1066973230 /nfs/dbraw/zinc/97/32/30/1066973230.db2.gz IOMVHYXZQNURDO-LLVKDONJSA-N 0 0 455.824 4.702 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC001458102982 1066976095 /nfs/dbraw/zinc/97/60/95/1066976095.db2.gz JLKIVMLDCAMVQH-JLTOFOAXSA-N 0 0 452.429 4.669 20 5 JJBDRN CC[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(OC)OC ZINC001449013310 1066977098 /nfs/dbraw/zinc/97/70/98/1066977098.db2.gz MQWZALBNCLOYGU-BBLCHGJFSA-N 0 0 455.536 4.649 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Nc1ccc(OC(F)F)c(F)c1 ZINC001458114145 1066979881 /nfs/dbraw/zinc/97/98/81/1066979881.db2.gz SZDNJEYGCGXTMX-UHFFFAOYSA-N 0 0 459.446 4.644 20 5 JJBDRN Cc1cc([C@@H](CC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001458122909 1066981882 /nfs/dbraw/zinc/98/18/82/1066981882.db2.gz ZQOGCRNNTDTOCI-MRXNPFEDSA-N 0 0 453.854 4.652 20 5 JJBDRN Cc1c(Br)c(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ncc1[N+](=O)[O-] ZINC001458129470 1066984357 /nfs/dbraw/zinc/98/43/57/1066984357.db2.gz AYYXOGRMTBMNNV-UHFFFAOYSA-N 0 0 456.222 4.877 20 5 JJBDRN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001449146778 1066985358 /nfs/dbraw/zinc/98/53/58/1066985358.db2.gz IGBIXPBMGMLINB-MRXNPFEDSA-N 0 0 450.308 4.512 20 5 JJBDRN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001458137331 1066985618 /nfs/dbraw/zinc/98/56/18/1066985618.db2.gz NEVGTYBYXHEZJX-UHFFFAOYSA-N 0 0 451.910 4.790 20 5 JJBDRN COC1(c2ccccc2)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC001449218978 1066990468 /nfs/dbraw/zinc/99/04/68/1066990468.db2.gz SIXDMJLPRMKRGY-UHFFFAOYSA-N 0 0 451.910 4.858 20 5 JJBDRN O=[N+]([O-])c1ccc(N[C@@H](Cc2ccccc2)c2cccs2)c(S(=O)(=O)N2CCCC2)c1 ZINC001458182166 1066999042 /nfs/dbraw/zinc/99/90/42/1066999042.db2.gz UVSMOTVKZHOEGP-FQEVSTJZSA-N 0 0 457.577 4.837 20 5 JJBDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458190417 1067000771 /nfs/dbraw/zinc/00/07/71/1067000771.db2.gz JZELSBYBDDPZPB-IRXDYDNUSA-N 0 0 455.342 4.753 20 5 JJBDRN Cc1ccc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001458189747 1067000940 /nfs/dbraw/zinc/00/09/40/1067000940.db2.gz OBZVZKQOTQHPNB-SFHVURJKSA-N 0 0 456.549 4.526 20 5 JJBDRN CS(=O)(=O)c1ccc(N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC001458191694 1067001166 /nfs/dbraw/zinc/00/11/66/1067001166.db2.gz WEPZRZHXHAENAA-UHFFFAOYSA-N 0 0 459.351 4.601 20 5 JJBDRN CS(=O)(=O)c1cccc([C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])c2ccc(Cl)cc2)c1 ZINC001458210676 1067003798 /nfs/dbraw/zinc/00/37/98/1067003798.db2.gz SYIOZZNKASBSNL-IBGZPJMESA-N 0 0 456.911 4.501 20 5 JJBDRN COc1ccc(Cl)cc1NC(=O)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001458234427 1067008922 /nfs/dbraw/zinc/00/89/22/1067008922.db2.gz ZTAFLRADRWWLOT-UHFFFAOYSA-N 0 0 456.886 4.672 20 5 JJBDRN COC(=O)/C=C/c1ccc(NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC001458239476 1067009721 /nfs/dbraw/zinc/00/97/21/1067009721.db2.gz QZFFVBQJWIBFRR-LRFDDAOPSA-N 0 0 455.511 4.979 20 5 JJBDRN Cc1cc(COC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458252288 1067012475 /nfs/dbraw/zinc/01/24/75/1067012475.db2.gz GWPDYSBLOCUYQC-SFHVURJKSA-N 0 0 454.401 4.584 20 5 JJBDRN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001458256108 1067014002 /nfs/dbraw/zinc/01/40/02/1067014002.db2.gz UXQNDILXJZJHOV-UHFFFAOYSA-N 0 0 457.227 4.615 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC001458257184 1067014276 /nfs/dbraw/zinc/01/42/76/1067014276.db2.gz WQGLPMLPCNLMAM-IEBWSBKVSA-N 0 0 456.543 4.698 20 5 JJBDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001458273093 1067018071 /nfs/dbraw/zinc/01/80/71/1067018071.db2.gz BWNQTMLUZZPXJS-CYBMUJFWSA-N 0 0 457.533 4.649 20 5 JJBDRN COC(=O)c1ccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)c(F)c1 ZINC001458277880 1067019643 /nfs/dbraw/zinc/01/96/43/1067019643.db2.gz KTWGXPSGLPSLQH-UHFFFAOYSA-N 0 0 457.483 4.947 20 5 JJBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001458278575 1067020023 /nfs/dbraw/zinc/02/00/23/1067020023.db2.gz BBUILWMMGBXDCW-UHFFFAOYSA-N 0 0 457.355 4.709 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)CC2 ZINC001458292794 1067023327 /nfs/dbraw/zinc/02/33/27/1067023327.db2.gz JQIVQFYJYNRLKO-SONCPKABSA-N 0 0 453.926 4.540 20 5 JJBDRN CCCN(CCc1cccs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC001458312229 1067026807 /nfs/dbraw/zinc/02/68/07/1067026807.db2.gz YZBSUUNCMLCBIW-UHFFFAOYSA-N 0 0 451.614 4.680 20 5 JJBDRN O=C(Cc1ccc(OCc2ccncc2)cc1)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001458315929 1067028328 /nfs/dbraw/zinc/02/83/28/1067028328.db2.gz GQVLDNHRCVZNKJ-SANMLTNESA-N 0 0 455.470 4.839 20 5 JJBDRN COc1ccc([C@H](C)OC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC001458319941 1067029413 /nfs/dbraw/zinc/02/94/13/1067029413.db2.gz RCMRIIMQRQSDHB-NSHDSACASA-N 0 0 453.245 4.511 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCN(c3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC001458320588 1067029774 /nfs/dbraw/zinc/02/97/74/1067029774.db2.gz PMTYEALMZWRQOD-UHFFFAOYSA-N 0 0 454.365 4.975 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCCC[C@H]2C)cc1OC ZINC001458341011 1067035366 /nfs/dbraw/zinc/03/53/66/1067035366.db2.gz ATIQCTXHIAGTBC-CRAIPNDOSA-N 0 0 456.495 4.562 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458341019 1067035475 /nfs/dbraw/zinc/03/54/75/1067035475.db2.gz ATIQCTXHIAGTBC-MAUKXSAKSA-N 0 0 456.495 4.562 20 5 JJBDRN CCCCCCn1nc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2c1=O ZINC001458341120 1067035535 /nfs/dbraw/zinc/03/55/35/1067035535.db2.gz PWFDIOARXXNAPO-UHFFFAOYSA-N 0 0 456.930 4.511 20 5 JJBDRN CN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC001545758009 1067036490 /nfs/dbraw/zinc/03/64/90/1067036490.db2.gz WHZKXLATOLDFAJ-UHFFFAOYSA-N 0 0 457.577 4.979 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC001458354082 1067040342 /nfs/dbraw/zinc/04/03/42/1067040342.db2.gz JLCUROAPRPXNRK-UHFFFAOYSA-N 0 0 459.309 4.805 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001458355852 1067041330 /nfs/dbraw/zinc/04/13/30/1067041330.db2.gz IHDQGBRTNXAKIK-YOEHRIQHSA-N 0 0 457.474 4.587 20 5 JJBDRN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001458362155 1067042386 /nfs/dbraw/zinc/04/23/86/1067042386.db2.gz HFXCZUHRQDUZSE-UHFFFAOYSA-N 0 0 451.232 4.965 20 5 JJBDRN COCCN(Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1Br ZINC001458364324 1067042581 /nfs/dbraw/zinc/04/25/81/1067042581.db2.gz OMCIOHMQPRXGHE-UHFFFAOYSA-N 0 0 450.152 4.834 20 5 JJBDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC001458372361 1067045078 /nfs/dbraw/zinc/04/50/78/1067045078.db2.gz YEJYOKMAYRULED-YUMQZZPRSA-N 0 0 451.858 4.756 20 5 JJBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001458388485 1067048234 /nfs/dbraw/zinc/04/82/34/1067048234.db2.gz QUIUHLQHYBBWIV-OYHNWAKOSA-N 0 0 456.930 4.616 20 5 JJBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001458388488 1067048306 /nfs/dbraw/zinc/04/83/06/1067048306.db2.gz QUIUHLQHYBBWIV-QRQCRPRQSA-N 0 0 456.930 4.616 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC001458394682 1067050259 /nfs/dbraw/zinc/05/02/59/1067050259.db2.gz LOYSNDVVETURPV-MGPUTAFESA-N 0 0 450.470 4.946 20 5 JJBDRN O=[N+]([O-])c1cccc2ncnc(Nc3cnn(Cc4ccc(Br)cc4Cl)c3)c21 ZINC001458418646 1067056622 /nfs/dbraw/zinc/05/66/22/1067056622.db2.gz IOLVKKWKXBZDGM-UHFFFAOYSA-N 0 0 459.691 4.942 20 5 JJBDRN O=[N+]([O-])c1ccc(Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c([N+](=O)[O-])c1 ZINC001458419909 1067056703 /nfs/dbraw/zinc/05/67/03/1067056703.db2.gz QGYQLNRMDGAWJW-UHFFFAOYSA-N 0 0 452.652 4.907 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1c1cccc(F)c1 ZINC001458435490 1067059301 /nfs/dbraw/zinc/05/93/01/1067059301.db2.gz OWRGUKMNPVWIIK-VQTJNVASSA-N 0 0 452.486 4.779 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)SC ZINC001545772816 1067062388 /nfs/dbraw/zinc/06/23/88/1067062388.db2.gz NHFIVBXDGVSSBH-OAQYLSRUSA-N 0 0 498.657 4.825 20 5 JJBDRN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC001458475565 1067071415 /nfs/dbraw/zinc/07/14/15/1067071415.db2.gz ISJSAOCYPKEMEQ-UGKGYDQZSA-N 0 0 479.537 4.752 20 5 JJBDRN Cc1cc(N2CCOC[C@H]2c2ccc(Br)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458475352 1067071536 /nfs/dbraw/zinc/07/15/36/1067071536.db2.gz XJZUYSRTAGUDIL-IBGZPJMESA-N 0 0 455.312 4.701 20 5 JJBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001458477584 1067071849 /nfs/dbraw/zinc/07/18/49/1067071849.db2.gz WPOQQGJGQKBJOG-HUUCEWRRSA-N 0 0 469.464 4.552 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001458499565 1067075942 /nfs/dbraw/zinc/07/59/42/1067075942.db2.gz VIXROELUHMQMSZ-CQSZACIVSA-N 0 0 453.542 4.506 20 5 JJBDRN COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1C ZINC001458503801 1067076763 /nfs/dbraw/zinc/07/67/63/1067076763.db2.gz WVBIMCIBUPUEKI-UHFFFAOYSA-N 0 0 455.536 4.942 20 5 JJBDRN COc1ccccc1COc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC001458534887 1067083693 /nfs/dbraw/zinc/08/36/93/1067083693.db2.gz BFYOVKPQYJYONX-UHFFFAOYSA-N 0 0 452.463 4.517 20 5 JJBDRN O=C(NCC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc21)C(F)(F)F ZINC001458551511 1067086919 /nfs/dbraw/zinc/08/69/19/1067086919.db2.gz YTJDLEFQQNUVBB-INIZCTEOSA-N 0 0 456.424 4.961 20 5 JJBDRN CC[C@@H](OC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1cccc([N+](=O)[O-])c1 ZINC001458571312 1067089977 /nfs/dbraw/zinc/08/99/77/1067089977.db2.gz MCIBWOXNOSMLDQ-AZUAARDMSA-N 0 0 457.552 4.541 20 5 JJBDRN O=C(Nc1ccc(C(F)(F)F)cc1Br)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001458609209 1067094160 /nfs/dbraw/zinc/09/41/60/1067094160.db2.gz LXANSXDWNCJZKI-HNNXBMFYSA-N 0 0 458.190 4.508 20 5 JJBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001458619337 1067096794 /nfs/dbraw/zinc/09/67/94/1067096794.db2.gz AYVWJONNPLVSFD-UHFFFAOYSA-N 0 0 457.317 4.926 20 5 JJBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001450676506 1067101898 /nfs/dbraw/zinc/10/18/98/1067101898.db2.gz PFTLFSRNHMJJMI-GOSISDBHSA-N 0 0 456.713 4.552 20 5 JJBDRN COC(=O)/C=C\c1ccc(NCCc2cc(Br)ccc2SC)c([N+](=O)[O-])c1 ZINC001458661848 1067103059 /nfs/dbraw/zinc/10/30/59/1067103059.db2.gz DOZDEGYFASEWAP-YWEYNIOJSA-N 0 0 451.342 4.920 20 5 JJBDRN COCCOc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)cc1Br ZINC001458673709 1067106393 /nfs/dbraw/zinc/10/63/93/1067106393.db2.gz NHJHRVSVCHACGP-UHFFFAOYSA-N 0 0 459.680 4.566 20 5 JJBDRN CCc1cc(N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458686034 1067109452 /nfs/dbraw/zinc/10/94/52/1067109452.db2.gz WQVZCGBCNLEIBT-XMMPIXPASA-N 0 0 453.543 4.594 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC001458690000 1067110229 /nfs/dbraw/zinc/11/02/29/1067110229.db2.gz MDDWJWINXLKXCR-SNVBAGLBSA-N 0 0 452.692 4.576 20 5 JJBDRN CCc1ccc2c(c1)CCN(c1ccc(S(=O)(=O)NC3CCC(C)CC3)cc1[N+](=O)[O-])C2 ZINC001458715947 1067114237 /nfs/dbraw/zinc/11/42/37/1067114237.db2.gz HOOFXQNVVUCMCZ-UHFFFAOYSA-N 0 0 457.596 4.577 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC001458721480 1067116296 /nfs/dbraw/zinc/11/62/96/1067116296.db2.gz WGEJWFMIYZWIGU-UHFFFAOYSA-N 0 0 457.502 4.903 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)cc1[N+](=O)[O-] ZINC001458722645 1067117008 /nfs/dbraw/zinc/11/70/08/1067117008.db2.gz DWXSEGAVLCRECW-UHFFFAOYSA-N 0 0 453.838 4.588 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC001545806414 1067122888 /nfs/dbraw/zinc/12/28/88/1067122888.db2.gz HTMNMCFLYUUUFT-FQEVSTJZSA-N 0 0 450.882 4.852 20 5 JJBDRN CC(C)CCn1c2nnc(SCc3ccc(Cl)cc3[N+](=O)[O-])n2c2ccccc2c1=O ZINC001458746771 1067130391 /nfs/dbraw/zinc/13/03/91/1067130391.db2.gz ZBDLQECEIASEES-UHFFFAOYSA-N 0 0 457.943 4.944 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458763530 1067134786 /nfs/dbraw/zinc/13/47/86/1067134786.db2.gz QFLUAYUPYKZHIO-DNVCBOLYSA-N 0 0 451.292 4.797 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458763531 1067134857 /nfs/dbraw/zinc/13/48/57/1067134857.db2.gz QFLUAYUPYKZHIO-HNAYVOBHSA-N 0 0 451.292 4.797 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC001458770459 1067137247 /nfs/dbraw/zinc/13/72/47/1067137247.db2.gz SYLJKZCQTPQBHY-JTQLQIEISA-N 0 0 457.683 4.502 20 5 JJBDRN CC(C)OCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC001451329533 1067160174 /nfs/dbraw/zinc/16/01/74/1067160174.db2.gz TXKWPYOFYMGPQA-UHFFFAOYSA-N 0 0 450.601 4.923 20 5 JJBDRN O=C(N1CCC(Oc2cccc(Br)c2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001458841495 1067168281 /nfs/dbraw/zinc/16/82/81/1067168281.db2.gz QNZKJNBQXRTYOS-UHFFFAOYSA-N 0 0 455.255 4.519 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC001451413117 1067169299 /nfs/dbraw/zinc/16/92/99/1067169299.db2.gz UORLLWRQBCOZQS-FUHWJXTLSA-N 0 0 463.893 4.520 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC001451715296 1067187686 /nfs/dbraw/zinc/18/76/86/1067187686.db2.gz YTGBFXXDRPLQND-UHFFFAOYSA-N 0 0 454.548 4.721 20 5 JJBDRN COc1ccc(Br)c(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001458909795 1067193723 /nfs/dbraw/zinc/19/37/23/1067193723.db2.gz WREFVYITKBGGAN-UHFFFAOYSA-N 0 0 450.163 4.526 20 5 JJBDRN COC(=O)c1nc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)sc1C1CC1 ZINC001458913180 1067194796 /nfs/dbraw/zinc/19/47/96/1067194796.db2.gz JSPIRBHZBIYEOC-UHFFFAOYSA-N 0 0 452.492 4.580 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CSc2ncccc2Br)c1 ZINC001458966748 1067206842 /nfs/dbraw/zinc/20/68/42/1067206842.db2.gz UYLQZOGHHGNXRJ-UHFFFAOYSA-N 0 0 451.083 4.649 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC001452153896 1067210484 /nfs/dbraw/zinc/21/04/84/1067210484.db2.gz QGKQRJFCHPXFRE-WOGXIUBCSA-N 0 0 464.497 4.904 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CCC2)cc1 ZINC001458965444 1067211575 /nfs/dbraw/zinc/21/15/75/1067211575.db2.gz JTKKSWMPNIIEGE-UHFFFAOYSA-N 0 0 450.276 4.705 20 5 JJBDRN CC(=O)N(c1nc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cs1)c1c(C)cc(C)cc1C ZINC001458966970 1067212639 /nfs/dbraw/zinc/21/26/39/1067212639.db2.gz CSIMZIQGJOJILG-UHFFFAOYSA-N 0 0 450.524 4.763 20 5 JJBDRN COc1ccc([C@H](NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 ZINC001458967642 1067212669 /nfs/dbraw/zinc/21/26/69/1067212669.db2.gz IKCHAQKLIKEQPT-LJQANCHMSA-N 0 0 451.342 4.726 20 5 JJBDRN CCCCCNC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001458969898 1067213155 /nfs/dbraw/zinc/21/31/55/1067213155.db2.gz QVCIIVMFXPOSSX-UHFFFAOYSA-N 0 0 454.310 4.839 20 5 JJBDRN CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458976450 1067215240 /nfs/dbraw/zinc/21/52/40/1067215240.db2.gz GJPSUFNKUBVRIB-SFHVURJKSA-N 0 0 459.597 4.930 20 5 JJBDRN CCn1c(S[C@@H](Cc2ccc(F)c(F)c2F)C(C)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458976682 1067215339 /nfs/dbraw/zinc/21/53/39/1067215339.db2.gz HQWNTQGDFTUIPV-INIZCTEOSA-N 0 0 450.442 4.583 20 5 JJBDRN CCn1c(S[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC001458977723 1067215768 /nfs/dbraw/zinc/21/57/68/1067215768.db2.gz LKNRKNPABIVWCQ-YOEHRIQHSA-N 0 0 457.581 4.779 20 5 JJBDRN COc1cc(OC)c(NC(=O)COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])cc1Cl ZINC001458978816 1067216212 /nfs/dbraw/zinc/21/62/12/1067216212.db2.gz GJOFLYCKWGEVCL-UHFFFAOYSA-N 0 0 456.882 4.874 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccnc(OCc4ccccc4)c3)cc2)c(C)c1[N+](=O)[O-] ZINC001452418823 1067222833 /nfs/dbraw/zinc/22/28/33/1067222833.db2.gz NGDNCKGMNCSGKE-UHFFFAOYSA-N 0 0 457.490 4.683 20 5 JJBDRN CCOC(=O)c1c(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)sc(C)c1C[C@@H](C)CC ZINC001458995443 1067223961 /nfs/dbraw/zinc/22/39/61/1067223961.db2.gz DIBGRSZJUQYWBB-LBPRGKRZSA-N 0 0 452.504 4.887 20 5 JJBDRN O=C(Nc1ccc(C(F)(F)F)c(Br)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001459002569 1067226775 /nfs/dbraw/zinc/22/67/75/1067226775.db2.gz ULUSGGMYRHSGOR-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN COc1ccc(C2=NN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 ZINC001459014438 1067229148 /nfs/dbraw/zinc/22/91/48/1067229148.db2.gz CBVJYPXTBNWINF-NRFANRHFSA-N 0 0 451.504 4.808 20 5 JJBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001452530620 1067232094 /nfs/dbraw/zinc/23/20/94/1067232094.db2.gz IHAYJKUQDNPSFZ-UHFFFAOYSA-N 0 0 450.282 4.585 20 5 JJBDRN Cc1ccc(CNC(=O)c2nnc(COc3cc(Cl)c(Cl)cc3[N+](=O)[O-])s2)cc1 ZINC001459057620 1067240768 /nfs/dbraw/zinc/24/07/68/1067240768.db2.gz DLVWMUQDPNYVOW-UHFFFAOYSA-N 0 0 453.307 4.571 20 5 JJBDRN C[C@H](NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC001459063531 1067242367 /nfs/dbraw/zinc/24/23/67/1067242367.db2.gz VTCMRQDSILBPSI-LBPRGKRZSA-N 0 0 451.292 4.631 20 5 JJBDRN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001459135726 1067258573 /nfs/dbraw/zinc/25/85/73/1067258573.db2.gz SNYWXJYHXCFGLP-UHFFFAOYSA-N 0 0 457.668 4.921 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001459159326 1067263658 /nfs/dbraw/zinc/26/36/58/1067263658.db2.gz LABBJMNGTOAHNS-QGZVFWFLSA-N 0 0 455.820 4.819 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)cc1OC ZINC001459196805 1067269956 /nfs/dbraw/zinc/26/99/56/1067269956.db2.gz OGFJZBPYYMEBMG-UHFFFAOYSA-N 0 0 452.463 4.842 20 5 JJBDRN CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)CCO2 ZINC001459221953 1067272852 /nfs/dbraw/zinc/27/28/52/1067272852.db2.gz NSNJLTUNSRBYQU-XGHQBKJUSA-N 0 0 453.539 4.729 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001459297823 1067285875 /nfs/dbraw/zinc/28/58/75/1067285875.db2.gz OHVIFOIIHUJQFD-LJQANCHMSA-N 0 0 459.474 4.654 20 5 JJBDRN CC(C)Nc1ccc(Cl)cc1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001453214228 1067289222 /nfs/dbraw/zinc/28/92/22/1067289222.db2.gz NKHPLBRXYDZGBK-UHFFFAOYSA-N 0 0 455.740 4.906 20 5 JJBDRN COc1cc(CN(C)Cc2cc(Br)cs2)c([N+](=O)[O-])cc1OCC(F)F ZINC001459314455 1067291651 /nfs/dbraw/zinc/29/16/51/1067291651.db2.gz XABLTLRIAJFCFM-UHFFFAOYSA-N 0 0 451.289 4.703 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1[N+](=O)[O-] ZINC001459336884 1067297831 /nfs/dbraw/zinc/29/78/31/1067297831.db2.gz PXZFTGDWNVDERY-KRWDZBQOSA-N 0 0 452.236 4.594 20 5 JJBDRN CCCCOc1ccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cn1 ZINC001459359878 1067302881 /nfs/dbraw/zinc/30/28/81/1067302881.db2.gz WNCFWMCEEUOFBY-HSZRJFAPSA-N 0 0 458.515 4.547 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(Cl)ccc21 ZINC001459371294 1067305811 /nfs/dbraw/zinc/30/58/11/1067305811.db2.gz DYRXMJIHILCQGO-UHFFFAOYSA-N 0 0 456.667 4.754 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001459387272 1067310062 /nfs/dbraw/zinc/31/00/62/1067310062.db2.gz MGCPNGHJWJSILQ-OAQYLSRUSA-N 0 0 456.543 4.861 20 5 JJBDRN CC(C)c1ccc(C(=O)NCc2ccc(I)cc2Cl)cc1[N+](=O)[O-] ZINC001459387860 1067310815 /nfs/dbraw/zinc/31/08/15/1067310815.db2.gz PYLOONHYMTZIJZ-UHFFFAOYSA-N 0 0 458.683 4.906 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC001459399540 1067313138 /nfs/dbraw/zinc/31/31/38/1067313138.db2.gz PLHRPAIFLAXQMP-UHFFFAOYSA-N 0 0 454.283 4.793 20 5 JJBDRN Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cccc1NC(=O)OC(C)(C)C ZINC001453547213 1067313320 /nfs/dbraw/zinc/31/33/20/1067313320.db2.gz XPUMGOMIOXWZMF-UHFFFAOYSA-N 0 0 452.467 4.816 20 5 JJBDRN O=C(Nc1ccn(C2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001453569903 1067314874 /nfs/dbraw/zinc/31/48/74/1067314874.db2.gz RHRPYKYBEBPKLQ-UHFFFAOYSA-N 0 0 455.902 4.661 20 5 JJBDRN COC(=O)c1c[nH]c2cc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)ccc12 ZINC001453602178 1067317552 /nfs/dbraw/zinc/31/75/52/1067317552.db2.gz GMSUUIBEXQSHOX-HUUCEWRRSA-N 0 0 450.495 4.597 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCc1c(F)ccc(Br)c1F ZINC001459428898 1067323652 /nfs/dbraw/zinc/32/36/52/1067323652.db2.gz RGPMJOCEBXKIAY-MRVPVSSYSA-N 0 0 450.619 4.800 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC001453754465 1067327092 /nfs/dbraw/zinc/32/70/92/1067327092.db2.gz UKIDVHFHVIZWIJ-FQEVSTJZSA-N 0 0 453.539 4.790 20 5 JJBDRN CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001459462586 1067330582 /nfs/dbraw/zinc/33/05/82/1067330582.db2.gz CDHROLLHPNOUKP-FQEVSTJZSA-N 0 0 454.315 4.904 20 5 JJBDRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC001459470348 1067333192 /nfs/dbraw/zinc/33/31/92/1067333192.db2.gz WFIKQAYYUSQKGM-JOCHJYFZSA-N 0 0 453.539 4.900 20 5 JJBDRN C[C@H]1SCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1c1ccccc1 ZINC001459491516 1067337555 /nfs/dbraw/zinc/33/75/55/1067337555.db2.gz RHKNCUYLDVBAKG-QVKFZJNVSA-N 0 0 454.577 4.835 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCc3ccccc3[C@]2(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001459511634 1067341989 /nfs/dbraw/zinc/34/19/89/1067341989.db2.gz IHWWZJILSUEZLN-HXUWFJFHSA-N 0 0 454.470 4.699 20 5 JJBDRN CCc1nc2cc(CNC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC001459515908 1067342724 /nfs/dbraw/zinc/34/27/24/1067342724.db2.gz BUYAXIQBRINENE-UHFFFAOYSA-N 0 0 457.328 4.843 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC001459564185 1067352852 /nfs/dbraw/zinc/35/28/52/1067352852.db2.gz KZOOJEYXWOGQEV-OXQOHEQNSA-N 0 0 459.930 4.592 20 5 JJBDRN C[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001459566844 1067354080 /nfs/dbraw/zinc/35/40/80/1067354080.db2.gz UMTIBLJEEHDDTG-OCBCSQNSSA-N 0 0 457.836 4.580 20 5 JJBDRN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001459579200 1067355909 /nfs/dbraw/zinc/35/59/09/1067355909.db2.gz LKLYDKXCZPITPR-ROUUACIJSA-N 0 0 451.420 4.641 20 5 JJBDRN Cc1cc([C@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1Br ZINC001459617505 1067365725 /nfs/dbraw/zinc/36/57/25/1067365725.db2.gz IBLYPCLIQOYNIL-HXUWFJFHSA-N 0 0 455.312 4.829 20 5 JJBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001459663136 1067375468 /nfs/dbraw/zinc/37/54/68/1067375468.db2.gz MITDQWGMVHRGPX-GDBMZVCRSA-N 0 0 455.902 4.505 20 5 JJBDRN Cc1nc([C@@H](C)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)oc1-c1ccc(Cl)cc1 ZINC001459674644 1067380126 /nfs/dbraw/zinc/38/01/26/1067380126.db2.gz YDWDHWNFFDCMRH-MRXNPFEDSA-N 0 0 454.914 4.731 20 5 JJBDRN COC(=O)[C@H](C)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1C ZINC001459710433 1067391671 /nfs/dbraw/zinc/39/16/71/1067391671.db2.gz CNUYVBWFGPAMBF-NSHDSACASA-N 0 0 455.692 4.527 20 5 JJBDRN COc1c(Br)ccc(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001459716434 1067393990 /nfs/dbraw/zinc/39/39/90/1067393990.db2.gz ZNLCVZFKSCKQRM-UHFFFAOYSA-N 0 0 458.106 4.998 20 5 JJBDRN CN(C(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC001459741024 1067401416 /nfs/dbraw/zinc/40/14/16/1067401416.db2.gz BHYFSUPXWYXVIK-UHFFFAOYSA-N 0 0 457.408 4.820 20 5 JJBDRN Cc1c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC001459756804 1067409453 /nfs/dbraw/zinc/40/94/53/1067409453.db2.gz OAGMLLPPYQYNOG-UHFFFAOYSA-N 0 0 451.277 4.660 20 5 JJBDRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001459781898 1067418795 /nfs/dbraw/zinc/41/87/95/1067418795.db2.gz BMMZGHONQAXWRD-UHFFFAOYSA-N 0 0 450.632 4.812 20 5 JJBDRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC001459783011 1067419347 /nfs/dbraw/zinc/41/93/47/1067419347.db2.gz VNMIOABTHMSEHX-LBPRGKRZSA-N 0 0 458.131 4.697 20 5 JJBDRN CCN(C)C(=O)c1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001459909596 1067484609 /nfs/dbraw/zinc/48/46/09/1067484609.db2.gz VMWNADSJTMAWKE-UHFFFAOYSA-N 0 0 456.549 4.855 20 5 JJBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(Br)ccc(F)c2C1 ZINC001459924078 1067493401 /nfs/dbraw/zinc/49/34/01/1067493401.db2.gz ZOINOLGNFNHPIC-SNVBAGLBSA-N 0 0 456.699 4.535 20 5 JJBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2c(Br)ccc(F)c2C1 ZINC001459924076 1067493407 /nfs/dbraw/zinc/49/34/07/1067493407.db2.gz ZOINOLGNFNHPIC-JTQLQIEISA-N 0 0 456.699 4.535 20 5 JJBDRN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001459929346 1067495468 /nfs/dbraw/zinc/49/54/68/1067495468.db2.gz DDNOFIHNQVTPNE-DLBZAZTESA-N 0 0 453.848 4.719 20 5 JJBDRN COc1cc(OC)cc(Oc2cccc(CNC(=O)c3ccc([N+](=O)[O-])c4cccnc34)c2)c1 ZINC001459948310 1067503126 /nfs/dbraw/zinc/50/31/26/1067503126.db2.gz XFTKIMZWEFRRQS-UHFFFAOYSA-N 0 0 459.458 4.883 20 5 JJBDRN COc1cc(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)c([N+](=O)[O-])cc1OC(F)F ZINC001459964931 1067509618 /nfs/dbraw/zinc/50/96/18/1067509618.db2.gz UIXPQTCSNUQPPW-CZUORRHYSA-N 0 0 450.438 4.827 20 5 JJBDRN Cc1cc(OCC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)ccc1[N+](=O)[O-] ZINC001459975507 1067512519 /nfs/dbraw/zinc/51/25/19/1067512519.db2.gz LYBBMSAENKTNLP-GOSISDBHSA-N 0 0 456.713 4.991 20 5 JJBDRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460002541 1067522423 /nfs/dbraw/zinc/52/24/23/1067522423.db2.gz DMGBVRBBXHXCHK-GFCCVEGCSA-N 0 0 453.720 4.671 20 5 JJBDRN Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1Br ZINC001460007213 1067524718 /nfs/dbraw/zinc/52/47/18/1067524718.db2.gz VTWMLWDOCWZJJZ-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001460012884 1067526891 /nfs/dbraw/zinc/52/68/91/1067526891.db2.gz CSMRSOOTCJGCJE-UHFFFAOYSA-N 0 0 452.736 4.672 20 5 JJBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC001460027966 1067533172 /nfs/dbraw/zinc/53/31/72/1067533172.db2.gz AHSHHTOMYGIVDE-UHFFFAOYSA-N 0 0 452.463 4.733 20 5 JJBDRN CN=[S@@](C)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC001460057245 1067541050 /nfs/dbraw/zinc/54/10/50/1067541050.db2.gz XNUCUMNOOMDHND-YTTGMZPUSA-N 0 0 455.492 4.735 20 5 JJBDRN O=C(Nc1cccc2c(Br)ccnc12)c1cccc([N+](=O)[O-])c1Br ZINC001460114272 1067557964 /nfs/dbraw/zinc/55/79/64/1067557964.db2.gz HTLAXGSGYSHXKZ-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN Cc1c(NC(=O)CCN2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001460137806 1067562768 /nfs/dbraw/zinc/56/27/68/1067562768.db2.gz OCRSHKYSSKFHCN-XOBRGWDASA-N 0 0 451.445 4.713 20 5 JJBDRN Cc1c(NC(=O)CCN2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137796 1067562805 /nfs/dbraw/zinc/56/28/05/1067562805.db2.gz OCRSHKYSSKFHCN-JLTOFOAXSA-N 0 0 451.445 4.713 20 5 JJBDRN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001460172680 1067570014 /nfs/dbraw/zinc/57/00/14/1067570014.db2.gz GYROCWSDJFMOOJ-LJQANCHMSA-N 0 0 451.445 4.794 20 5 JJBDRN O=C(N[C@H]1CCc2c1ccc(F)c2Br)c1ccc([N+](=O)[O-])cc1Br ZINC001460230473 1067585038 /nfs/dbraw/zinc/58/50/38/1067585038.db2.gz NLHOIXMMULPPIW-AWEZNQCLSA-N 0 0 458.081 4.676 20 5 JJBDRN CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(F)cn2)CCS1 ZINC001546115138 1067593258 /nfs/dbraw/zinc/59/32/58/1067593258.db2.gz UAZSKSBASXGFIS-UHFFFAOYSA-N 0 0 456.547 4.548 20 5 JJBDRN CC[C@@H](C)n1c(SCC(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)nnc1-c1ccccc1 ZINC001460265013 1067593643 /nfs/dbraw/zinc/59/36/43/1067593643.db2.gz QDGHZEMBPKCHIG-CQSZACIVSA-N 0 0 455.515 4.645 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001460348889 1067614247 /nfs/dbraw/zinc/61/42/47/1067614247.db2.gz HZIHCVYOGJLWBM-UHFFFAOYSA-N 0 0 453.720 4.628 20 5 JJBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460353892 1067615364 /nfs/dbraw/zinc/61/53/64/1067615364.db2.gz HCXZLAXMOQNIEF-LBPRGKRZSA-N 0 0 457.745 4.704 20 5 JJBDRN Cc1sc(C2(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CCC2)nc1-c1ccccc1F ZINC001460358135 1067617418 /nfs/dbraw/zinc/61/74/18/1067617418.db2.gz FGIYTCRVGJTKAS-UHFFFAOYSA-N 0 0 456.455 4.883 20 5 JJBDRN CC(C)(C)c1csc(CC2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC001460400642 1067626964 /nfs/dbraw/zinc/62/69/64/1067626964.db2.gz GTLGZWNLAHNABM-UHFFFAOYSA-N 0 0 450.992 4.895 20 5 JJBDRN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC001460430843 1067633574 /nfs/dbraw/zinc/63/35/74/1067633574.db2.gz GJRVCSMBFMHLMS-AWEZNQCLSA-N 0 0 452.492 4.556 20 5 JJBDRN CC(C)Oc1cc(COC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)ccn1 ZINC001460442512 1067635717 /nfs/dbraw/zinc/63/57/17/1067635717.db2.gz HKMPJOHTAIIFLT-UHFFFAOYSA-N 0 0 451.266 4.627 20 5 JJBDRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NC(C)(C)c4ccccc4[N+](=O)[O-])cc3C2=O)c1 ZINC001460471797 1067639987 /nfs/dbraw/zinc/63/99/87/1067639987.db2.gz LQODZFLBNJXEKU-UHFFFAOYSA-N 0 0 457.486 4.677 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(N2CCCCC2=O)cc1 ZINC001460578261 1067659731 /nfs/dbraw/zinc/65/97/31/1067659731.db2.gz ATXCVPGMXOETMK-SFHVURJKSA-N 0 0 450.539 4.593 20 5 JJBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC001460584300 1067662332 /nfs/dbraw/zinc/66/23/32/1067662332.db2.gz NFHQGKURXXWKBC-UHFFFAOYSA-N 0 0 459.886 4.939 20 5 JJBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc2ccccc21 ZINC001460678246 1067698094 /nfs/dbraw/zinc/69/80/94/1067698094.db2.gz HDXUOYCUYFNNOY-LJQANCHMSA-N 0 0 457.280 4.545 20 5 JJBDRN CCc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001460744611 1067714062 /nfs/dbraw/zinc/71/40/62/1067714062.db2.gz JVNIYPVRCCABPT-LEWJYISDSA-N 0 0 471.529 4.819 20 5 JJBDRN C[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001460744424 1067714137 /nfs/dbraw/zinc/71/41/37/1067714137.db2.gz ISKCFAXRCBQESL-URZJWIJPSA-N 0 0 471.529 4.747 20 5 JJBDRN COc1ccc(OCCN2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c([N+](=O)[O-])c1 ZINC001460838372 1067732311 /nfs/dbraw/zinc/73/23/11/1067732311.db2.gz SCFGDXGPFLMMBG-QGZVFWFLSA-N 0 0 457.527 4.501 20 5 JJBDRN COC(=O)[C@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 ZINC001460842720 1067733159 /nfs/dbraw/zinc/73/31/59/1067733159.db2.gz YOIUAZOGRHQBEL-OAHLLOKOSA-N 0 0 450.447 4.925 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-] ZINC001460866344 1067737560 /nfs/dbraw/zinc/73/75/60/1067737560.db2.gz UIYXOKBUJQAJKB-DEOSSOPVSA-N 0 0 454.548 4.983 20 5 JJBDRN CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC001460884640 1067742143 /nfs/dbraw/zinc/74/21/43/1067742143.db2.gz DZMFUGLBTFFJNS-UHFFFAOYSA-N 0 0 453.486 4.845 20 5 JJBDRN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001460920144 1067747971 /nfs/dbraw/zinc/74/79/71/1067747971.db2.gz FNHYLIXATQJVTD-UHFFFAOYSA-N 0 0 458.805 4.950 20 5 JJBDRN CN(CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC(C)(C)C ZINC001460974803 1067755493 /nfs/dbraw/zinc/75/54/93/1067755493.db2.gz SRQOYVRMHVKAPP-INIZCTEOSA-N 0 0 456.381 4.969 20 5 JJBDRN COc1cc(OCC(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001460992014 1067758885 /nfs/dbraw/zinc/75/88/85/1067758885.db2.gz DKZZRLGESPKFQR-UHFFFAOYSA-N 0 0 453.398 4.763 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1[N+](=O)[O-] ZINC001461014343 1067762301 /nfs/dbraw/zinc/76/23/01/1067762301.db2.gz XTZGEDPMXHDTEN-UHFFFAOYSA-N 0 0 452.330 4.811 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC001461184820 1067794940 /nfs/dbraw/zinc/79/49/40/1067794940.db2.gz LRUCESRIPLUAMD-UHFFFAOYSA-N 0 0 450.676 4.967 20 5 JJBDRN O=C(Nc1ccc2c(Br)ccc(Cl)c2n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001461185545 1067794988 /nfs/dbraw/zinc/79/49/88/1067794988.db2.gz PIBBGJPSQZTMQM-UHFFFAOYSA-N 0 0 450.632 4.540 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccccc1NC(=O)C1CC1 ZINC001461252605 1067810319 /nfs/dbraw/zinc/81/03/19/1067810319.db2.gz FQYDWMOILLLFQW-UHFFFAOYSA-N 0 0 451.401 4.508 20 5 JJBDRN COc1cc(OCC(=O)Nc2ccccc2-c2nc3cc(Cl)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC001461332238 1067830796 /nfs/dbraw/zinc/83/07/96/1067830796.db2.gz CAPZUXHTNBWWKI-UHFFFAOYSA-N 0 0 452.854 4.818 20 5 JJBDRN CN1CCc2cc(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)ccc2C1=O ZINC001461387501 1067844634 /nfs/dbraw/zinc/84/46/34/1067844634.db2.gz BUCXQMBMASEZHP-UHFFFAOYSA-N 0 0 451.866 4.921 20 5 JJBDRN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)c1cc(Br)sc1Br ZINC001461453385 1067860268 /nfs/dbraw/zinc/86/02/68/1067860268.db2.gz PQEYFDRFRSJAND-UHFFFAOYSA-N 0 0 457.103 4.982 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC001461452782 1067860342 /nfs/dbraw/zinc/86/03/42/1067860342.db2.gz XOKGXLSQRRYOPA-SFHVURJKSA-N 0 0 454.458 4.529 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ncc(F)cc3Br)cc2[N+](=O)[O-])C1 ZINC001461553172 1067887282 /nfs/dbraw/zinc/88/72/82/1067887282.db2.gz TWGOTOYVSOFJGU-RYUDHWBXSA-N 0 0 451.296 4.626 20 5 JJBDRN COC(=O)c1ccc(F)c2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)CC2 ZINC001461603781 1067899909 /nfs/dbraw/zinc/89/99/09/1067899909.db2.gz WPCVJPCNOFDTNX-UHFFFAOYSA-N 0 0 450.422 4.511 20 5 JJBDRN C[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(I)cc1 ZINC001461698616 1067920913 /nfs/dbraw/zinc/92/09/13/1067920913.db2.gz CTDYOEDFFGVEMX-ZDUSSCGKSA-N 0 0 450.276 4.672 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461707037 1067922661 /nfs/dbraw/zinc/92/26/61/1067922661.db2.gz UGMIPZXYKUZFIC-MRUHUIDDSA-N 0 0 454.527 4.897 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001461707034 1067922720 /nfs/dbraw/zinc/92/27/20/1067922720.db2.gz UGMIPZXYKUZFIC-GCKMJXCFSA-N 0 0 454.527 4.897 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461708247 1067922825 /nfs/dbraw/zinc/92/28/25/1067922825.db2.gz YKFFFEAPXNZQGZ-GOSISDBHSA-N 0 0 450.413 4.695 20 5 JJBDRN O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC[C@@H]1CC1CCC1 ZINC001461745374 1067929571 /nfs/dbraw/zinc/92/95/71/1067929571.db2.gz MZVQHIFXORLTST-LJQANCHMSA-N 0 0 458.536 4.547 20 5 JJBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461754350 1067930943 /nfs/dbraw/zinc/93/09/43/1067930943.db2.gz KDXHQNLQXWENPA-MLGOLLRUSA-N 0 0 455.736 4.916 20 5 JJBDRN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC001461871364 1067951671 /nfs/dbraw/zinc/95/16/71/1067951671.db2.gz CPFSVXKXLHNBTL-UMVBOHGHSA-N 0 0 459.465 4.768 20 5 JJBDRN Cc1cccc(C(=O)NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)CC2)c1 ZINC001461915622 1067960821 /nfs/dbraw/zinc/96/08/21/1067960821.db2.gz KZVXRZJGTMOTQI-UHFFFAOYSA-N 0 0 459.502 4.730 20 5 JJBDRN COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](Cc3csc4ccccc34)C2)cc1[N+](=O)[O-] ZINC001462050389 1067990761 /nfs/dbraw/zinc/99/07/61/1067990761.db2.gz ZUVKZSRZNDUHAE-QGZVFWFLSA-N 0 0 454.548 4.816 20 5 JJBDRN CC[C@](C)(NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001462097442 1068001637 /nfs/dbraw/zinc/00/16/37/1068001637.db2.gz IZLWTEXQBLCONQ-QFIPXVFZSA-N 0 0 459.499 4.833 20 5 JJBDRN O=C1c2ccccc2C(=O)N1CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001462110473 1068006456 /nfs/dbraw/zinc/00/64/56/1068006456.db2.gz JPZYESGAMBDJQQ-UHFFFAOYSA-N 0 0 451.866 4.535 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(OC(F)F)cc1F ZINC001462208417 1068029447 /nfs/dbraw/zinc/02/94/47/1068029447.db2.gz PVFYMOOODOWHIV-UHFFFAOYSA-N 0 0 454.348 4.763 20 5 JJBDRN O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001462242555 1068036429 /nfs/dbraw/zinc/03/64/29/1068036429.db2.gz YMKOKMLBWKUKLG-CMPLNLGQSA-N 0 0 463.243 4.962 20 5 JJBDRN COc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001462358133 1068058725 /nfs/dbraw/zinc/05/87/25/1068058725.db2.gz QGJXLIMWYPOBQX-IAGOWNOFSA-N 0 0 450.413 4.809 20 5 JJBDRN CC1(C)CC[C@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)[C@H](c2ccccc2)C1 ZINC001462375025 1068062448 /nfs/dbraw/zinc/06/24/48/1068062448.db2.gz ZWHSEHREIWNQQZ-HKUYNNGSSA-N 0 0 457.477 4.512 20 5 JJBDRN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001462398642 1068065606 /nfs/dbraw/zinc/06/56/06/1068065606.db2.gz BTYZHXGEJCJFBR-SFHVURJKSA-N 0 0 458.268 4.520 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(F)(F)F)CC2)CCOCC1 ZINC001546131310 1068065619 /nfs/dbraw/zinc/06/56/19/1068065619.db2.gz WKXJHJFJTWBNED-UHFFFAOYSA-N 0 0 467.492 4.839 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001462423644 1068071896 /nfs/dbraw/zinc/07/18/96/1068071896.db2.gz APPUNAZXSUBJPG-OAHLLOKOSA-N 0 0 455.393 4.700 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)NCC2(c3ccc(Br)cc3)CC2)cc1SC ZINC001462637110 1068120965 /nfs/dbraw/zinc/12/09/65/1068120965.db2.gz ZTEQREXQNXGCCS-UHFFFAOYSA-N 0 0 451.342 4.549 20 5 JJBDRN CC(C)(C)[C@@H]1CCC[C@@](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)(C(F)(F)F)CC1 ZINC001462640625 1068121597 /nfs/dbraw/zinc/12/15/97/1068121597.db2.gz BAERWOAAZYLDMY-VLIAUNLRSA-N 0 0 453.465 4.833 20 5 JJBDRN COc1c(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)cc(Br)c(C)c1[N+](=O)[O-] ZINC001462709529 1068139001 /nfs/dbraw/zinc/13/90/01/1068139001.db2.gz ZFUPIPCGYGCYQX-UHFFFAOYSA-N 0 0 458.330 4.874 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Oc1cccc(Oc2ccccc2)c1 ZINC001462715413 1068140596 /nfs/dbraw/zinc/14/05/96/1068140596.db2.gz LOAYPGORJLORDA-UHFFFAOYSA-N 0 0 450.266 4.917 20 5 JJBDRN O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC001462728164 1068145278 /nfs/dbraw/zinc/14/52/78/1068145278.db2.gz DPADRPSRGUWDLU-UHFFFAOYSA-N 0 0 452.271 4.900 20 5 JJBDRN O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001462734919 1068148380 /nfs/dbraw/zinc/14/83/80/1068148380.db2.gz VGIJVRPQBNVPOQ-UHFFFAOYSA-N 0 0 452.271 4.900 20 5 JJBDRN CCOc1cc(Br)c(CC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC001462736482 1068148934 /nfs/dbraw/zinc/14/89/34/1068148934.db2.gz WXRSJKFXMWMOGC-CYBMUJFWSA-N 0 0 451.317 4.575 20 5 JJBDRN COc1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC001462752014 1068155718 /nfs/dbraw/zinc/15/57/18/1068155718.db2.gz GTYZECHVWJEMNP-JOCHJYFZSA-N 0 0 458.561 4.612 20 5 JJBDRN Cc1cc(C)c(S(=O)(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1[N+](=O)[O-] ZINC001462761435 1068159019 /nfs/dbraw/zinc/15/90/19/1068159019.db2.gz DXTPYDOQNBJOOJ-UHFFFAOYSA-N 0 0 451.456 4.753 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC001462767251 1068160692 /nfs/dbraw/zinc/16/06/92/1068160692.db2.gz XIBWYIRPBGHDMA-UHFFFAOYSA-N 0 0 451.456 4.753 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CCCCC2)c(Br)c1 ZINC001462833542 1068183854 /nfs/dbraw/zinc/18/38/54/1068183854.db2.gz UMIFJQUNAJGKFC-LJQANCHMSA-N 0 0 453.358 4.957 20 5 JJBDRN O=C(N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1cc(F)c([N+](=O)[O-])cc1F ZINC001462849555 1068190115 /nfs/dbraw/zinc/19/01/15/1068190115.db2.gz HYXFSUNUPBXUGU-HNNXBMFYSA-N 0 0 453.239 4.812 20 5 JJBDRN C[S@](=O)(=NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(F)cc1 ZINC001462876288 1068199460 /nfs/dbraw/zinc/19/94/60/1068199460.db2.gz UJUKQGOWHFMSLH-GDLZYMKVSA-N 0 0 457.270 4.524 20 5 JJBDRN C[S@](=O)(=NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001462878495 1068200606 /nfs/dbraw/zinc/20/06/06/1068200606.db2.gz JXWXHNYWPMXGEA-WJOKGBTCSA-N 0 0 455.458 4.514 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1C ZINC001462976721 1068235614 /nfs/dbraw/zinc/23/56/14/1068235614.db2.gz BHSKXBJEHOUKDO-UHFFFAOYSA-N 0 0 457.552 4.900 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 ZINC001463133171 1068297890 /nfs/dbraw/zinc/29/78/90/1068297890.db2.gz JCYJEHKSWQBGHL-UHFFFAOYSA-N 0 0 457.552 4.665 20 5 JJBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCSc1ccccc1Br ZINC001463139857 1068300049 /nfs/dbraw/zinc/30/00/49/1068300049.db2.gz VFOSZAUMMWTVRT-UHFFFAOYSA-N 0 0 459.387 4.517 20 5 JJBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC001463144088 1068301696 /nfs/dbraw/zinc/30/16/96/1068301696.db2.gz NLKJRIKWHBUOEI-INIZCTEOSA-N 0 0 452.960 4.517 20 5 JJBDRN COC(=O)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001463207057 1068320216 /nfs/dbraw/zinc/32/02/16/1068320216.db2.gz GUUIVAOUPKITLC-ZDUSSCGKSA-N 0 0 451.184 4.565 20 5 JJBDRN CC[C@@H]1CCCc2sc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])nc21 ZINC001463206798 1068320363 /nfs/dbraw/zinc/32/03/63/1068320363.db2.gz ZMMGREMPMWGORM-LLVKDONJSA-N 0 0 453.362 4.719 20 5 JJBDRN CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001463240746 1068332507 /nfs/dbraw/zinc/33/25/07/1068332507.db2.gz SFUCHVBNNSPPEZ-UHFFFAOYSA-N 0 0 459.321 4.748 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@H](C(C)C)CC4)cc2)c(C)c1[N+](=O)[O-] ZINC001463258851 1068336980 /nfs/dbraw/zinc/33/69/80/1068336980.db2.gz WBTFGOYKOFETLJ-GOSISDBHSA-N 0 0 453.568 4.926 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001463261864 1068337760 /nfs/dbraw/zinc/33/77/60/1068337760.db2.gz REXRKOAISQNOOO-QHCPKHFHSA-N 0 0 457.527 4.800 20 5 JJBDRN CCCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001463263487 1068338194 /nfs/dbraw/zinc/33/81/94/1068338194.db2.gz SBAYHISVUNWFCU-IBGZPJMESA-N 0 0 457.552 4.998 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c1Cl ZINC001463264365 1068339046 /nfs/dbraw/zinc/33/90/46/1068339046.db2.gz AYKAXPCRZSGOGP-UHFFFAOYSA-N 0 0 456.134 4.955 20 5 JJBDRN CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001463327251 1068357548 /nfs/dbraw/zinc/35/75/48/1068357548.db2.gz KPBDBPHPQZOLIN-UHFFFAOYSA-N 0 0 459.229 4.621 20 5 JJBDRN Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(C)(C)C ZINC001463342694 1068362869 /nfs/dbraw/zinc/36/28/69/1068362869.db2.gz JVAXKUJNLVFGCF-FQEVSTJZSA-N 0 0 457.552 4.532 20 5 JJBDRN CN(CC(=O)Nc1cccc(Oc2ccccc2)n1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463365023 1068373052 /nfs/dbraw/zinc/37/30/52/1068373052.db2.gz ANDAXMJXKXSHOB-UHFFFAOYSA-N 0 0 457.284 4.620 20 5 JJBDRN C[S@](=O)(=NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1F ZINC001463371788 1068375263 /nfs/dbraw/zinc/37/52/63/1068375263.db2.gz VFRSHKZXMWPNHF-GDLZYMKVSA-N 0 0 457.270 4.524 20 5 JJBDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001463391038 1068381967 /nfs/dbraw/zinc/38/19/67/1068381967.db2.gz DWCCWOVXYMXKHP-DNQXCXABSA-N 0 0 452.532 4.664 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H](CC2CCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001463420711 1068392101 /nfs/dbraw/zinc/39/21/01/1068392101.db2.gz BVDUZLICZCYACJ-GOSISDBHSA-N 0 0 453.358 4.876 20 5 JJBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC001463435873 1068396821 /nfs/dbraw/zinc/39/68/21/1068396821.db2.gz OOLCRNJDCZNPCF-OAHLLOKOSA-N 0 0 452.863 4.703 20 5 JJBDRN Cc1ccc([C@@H](CC(F)(F)F)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001463467317 1068410921 /nfs/dbraw/zinc/41/09/21/1068410921.db2.gz FXYUZZZIYKACSG-CYBMUJFWSA-N 0 0 456.364 4.894 20 5 JJBDRN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1I ZINC001463496410 1068419264 /nfs/dbraw/zinc/41/92/64/1068419264.db2.gz ZPCXAQUUZQQQIN-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN CC(C)(C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC001463547534 1068438132 /nfs/dbraw/zinc/43/81/32/1068438132.db2.gz QXTJRDHAQYDASU-VXGBXAGGSA-N 0 0 451.358 4.770 20 5 JJBDRN COc1ccc(Oc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c4ncccc34)cc2)cc1 ZINC001463555831 1068440250 /nfs/dbraw/zinc/44/02/50/1068440250.db2.gz OBIKQEXAQKAEOW-UHFFFAOYSA-N 0 0 452.444 4.712 20 5 JJBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CC)Cc1ccccc1Br ZINC001463557303 1068440837 /nfs/dbraw/zinc/44/08/37/1068440837.db2.gz YNYJYCSVNHIRBN-INIZCTEOSA-N 0 0 455.374 4.562 20 5 JJBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)(C)c2ccc(Br)cc21 ZINC001463578852 1068453787 /nfs/dbraw/zinc/45/37/87/1068453787.db2.gz LDVSMYFVJONTFR-UHFFFAOYSA-N 0 0 457.321 4.681 20 5 JJBDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001463587537 1068457621 /nfs/dbraw/zinc/45/76/21/1068457621.db2.gz KNWBQKYNAJZYCH-UHFFFAOYSA-N 0 0 451.701 4.755 20 5 JJBDRN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001463641432 1068478994 /nfs/dbraw/zinc/47/89/94/1068478994.db2.gz QHYZVBAYFGWPBT-QGZVFWFLSA-N 0 0 458.458 4.928 20 5 JJBDRN Cc1cc(C)c2cccc(OS(=O)(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)c2n1 ZINC001463659032 1068485766 /nfs/dbraw/zinc/48/57/66/1068485766.db2.gz OEXKUARBMJQDNI-UHFFFAOYSA-N 0 0 451.298 4.598 20 5 JJBDRN CCOc1cc(OS(=O)(=O)c2ccc3ccccc3c2Br)ccc1[N+](=O)[O-] ZINC001463662832 1068486942 /nfs/dbraw/zinc/48/69/42/1068486942.db2.gz ZLYMFCHLPGCYDE-UHFFFAOYSA-N 0 0 452.282 4.677 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001463662295 1068486959 /nfs/dbraw/zinc/48/69/59/1068486959.db2.gz XKRHOPJTCQIHCV-LBPRGKRZSA-N 0 0 451.715 4.666 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)CC2CC2)cc1Br ZINC001463685747 1068493585 /nfs/dbraw/zinc/49/35/85/1068493585.db2.gz ADVRXFZVYJYBJF-UHFFFAOYSA-N 0 0 459.749 4.612 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001463710893 1068502162 /nfs/dbraw/zinc/50/21/62/1068502162.db2.gz IRSAKLCNTKNTSX-NVXWUHKLSA-N 0 0 453.358 4.610 20 5 JJBDRN Cn1ccc(Nc2ccc(C(=O)Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)n1 ZINC001463741699 1068509365 /nfs/dbraw/zinc/50/93/65/1068509365.db2.gz MGENKJZKIGRPRA-UHFFFAOYSA-N 0 0 457.446 4.543 20 5 JJBDRN O=C(Nc1ccc(OC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001463742669 1068509801 /nfs/dbraw/zinc/50/98/01/1068509801.db2.gz QFBMJAKMSLFJPP-ROUUACIJSA-N 0 0 452.385 4.500 20 5 JJBDRN Cc1nc2c(cccc2C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)[nH]1 ZINC001463744319 1068509915 /nfs/dbraw/zinc/50/99/15/1068509915.db2.gz VLANWLNBKDMHPN-UHFFFAOYSA-N 0 0 450.838 4.904 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001463855975 1068548771 /nfs/dbraw/zinc/54/87/71/1068548771.db2.gz XJMQYCSLWXYIQZ-WMZOPIPTSA-N 0 0 453.358 4.623 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC1(c2ccccc2Cl)CCC1 ZINC001463999870 1068585133 /nfs/dbraw/zinc/58/51/33/1068585133.db2.gz NAOOZVGQCNTOBH-UHFFFAOYSA-N 0 0 459.749 4.677 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Oc2cc(C(F)(F)F)ccc2Br)c1 ZINC001464135857 1068629872 /nfs/dbraw/zinc/62/98/72/1068629872.db2.gz OCGQOCCWELQKEA-UHFFFAOYSA-N 0 0 454.220 4.761 20 5 JJBDRN Cc1cc(Br)ccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464240322 1068671256 /nfs/dbraw/zinc/67/12/56/1068671256.db2.gz RKOXGHQWRMNEQG-HNNXBMFYSA-N 0 0 459.749 4.845 20 5 JJBDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464241635 1068672071 /nfs/dbraw/zinc/67/20/71/1068672071.db2.gz UUNWGGNXHUTARL-AAEUAGOBSA-N 0 0 459.749 4.577 20 5 JJBDRN COc1cc([C@H](C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)ccc1OC1CCCC1 ZINC001464245908 1068674120 /nfs/dbraw/zinc/67/41/20/1068674120.db2.gz XPIJHUZJYNADCI-NSHDSACASA-N 0 0 451.882 4.791 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC001464260856 1068680050 /nfs/dbraw/zinc/68/00/50/1068680050.db2.gz VMYUQMYNPBXSRF-KRWDZBQOSA-N 0 0 459.749 4.845 20 5 JJBDRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464291958 1068694203 /nfs/dbraw/zinc/69/42/03/1068694203.db2.gz RZAZBDBHACBAED-NFBKMPQASA-N 0 0 454.523 4.689 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001464293637 1068694760 /nfs/dbraw/zinc/69/47/60/1068694760.db2.gz FFKWKKWTTLJRRC-MRXNPFEDSA-N 0 0 458.458 4.579 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] ZINC001464394238 1068729851 /nfs/dbraw/zinc/72/98/51/1068729851.db2.gz ODICLAAUTLSRCA-UHFFFAOYSA-N 0 0 459.705 4.544 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(OS(=O)(=O)c2oc3ccccc3c2Br)cc1Cl ZINC001464436476 1068745015 /nfs/dbraw/zinc/74/50/15/1068745015.db2.gz RQFIEETYJSTVSY-UHFFFAOYSA-N 0 0 450.625 4.664 20 5 JJBDRN O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001464531402 1068774077 /nfs/dbraw/zinc/77/40/77/1068774077.db2.gz YYJSNGBSYBBMKG-UHFFFAOYSA-N 0 0 454.474 4.885 20 5 JJBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001464648463 1068810512 /nfs/dbraw/zinc/81/05/12/1068810512.db2.gz KJDHTJYQPHKATD-IBGZPJMESA-N 0 0 457.328 4.633 20 5 JJBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464714154 1068836012 /nfs/dbraw/zinc/83/60/12/1068836012.db2.gz IFAUHPYEFUFKTN-QHCPKHFHSA-N 0 0 453.901 4.935 20 5 JJBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464714151 1068836297 /nfs/dbraw/zinc/83/62/97/1068836297.db2.gz IFAUHPYEFUFKTN-HSZRJFAPSA-N 0 0 453.901 4.935 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC(Nc2ccccc2Cl)CC1 ZINC001464716332 1068836684 /nfs/dbraw/zinc/83/66/84/1068836684.db2.gz FGZPVUQWGVQQFD-UHFFFAOYSA-N 0 0 451.310 4.577 20 5 JJBDRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)N1Cc1cccnc1 ZINC001164690582 719777404 /nfs/dbraw/zinc/77/74/04/719777404.db2.gz FEXISDMLKXEADY-SFTDATJTSA-N 0 0 499.905 4.630 20 5 JJBDRN CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@H]2CCCO[C@H]12 ZINC001164712755 720067492 /nfs/dbraw/zinc/06/74/92/720067492.db2.gz MBGUAMILARMQHZ-OTWHNJEPSA-N 0 0 453.873 4.628 20 5 JJBDRN CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H]2CCCO[C@H]12 ZINC001164712756 720067631 /nfs/dbraw/zinc/06/76/31/720067631.db2.gz MBGUAMILARMQHZ-QRVBRYPASA-N 0 0 453.873 4.628 20 5 JJBDRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)cs1 ZINC001164746953 720865814 /nfs/dbraw/zinc/86/58/14/720865814.db2.gz HIJMQRFSMJCVKH-KRWDZBQOSA-N 0 0 467.885 4.593 20 5 JJBDRN CCN1CC[C@@]2(CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]2C)C1=O ZINC001164777280 721323584 /nfs/dbraw/zinc/32/35/84/721323584.db2.gz JIQYEVYIKRPHPY-SZNDQCEHSA-N 0 0 464.900 4.550 20 5 JJBDRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccsc1 ZINC001164881261 721360682 /nfs/dbraw/zinc/36/06/82/721360682.db2.gz ARGHTBCPACHJBO-QZTJIDSGSA-N 0 0 491.907 4.696 20 5 JJBDRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)N1c1ccsc1 ZINC001164881263 721360891 /nfs/dbraw/zinc/36/08/91/721360891.db2.gz ARGHTBCPACHJBO-ZWKOTPCHSA-N 0 0 491.907 4.696 20 5 JJBDRN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164785448 721438496 /nfs/dbraw/zinc/43/84/96/721438496.db2.gz NGXYHLUDDQRQIO-SFTDATJTSA-N 0 0 487.585 4.747 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C[C@@H]2c1ccccc1 ZINC001164913937 721739403 /nfs/dbraw/zinc/73/94/03/721739403.db2.gz ZNMJEOWLTDOYJC-XXBNENTESA-N 0 0 499.905 4.610 20 5 JJBDRN CCc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164912560 721762790 /nfs/dbraw/zinc/76/27/90/721762790.db2.gz ZXRATSXKSRBBFR-UHFFFAOYSA-N 0 0 484.560 4.797 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCn4cnc(Cn5cccn5)c4C3)cnc2Cl)c1 ZINC001164939261 721915915 /nfs/dbraw/zinc/91/59/15/721915915.db2.gz TZFIPXGPQKLQEC-UHFFFAOYSA-N 0 0 499.909 4.707 20 5 JJBDRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C2)C1=O ZINC001164975944 722163199 /nfs/dbraw/zinc/16/31/99/722163199.db2.gz AMUCFNXNUNHDIG-QHCPKHFHSA-N 0 0 484.890 4.980 20 5 JJBDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C2)C1=O ZINC001164975943 722163209 /nfs/dbraw/zinc/16/32/09/722163209.db2.gz AMUCFNXNUNHDIG-HSZRJFAPSA-N 0 0 484.890 4.980 20 5 JJBDRN CC(C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001359716698 1064265239 /nfs/dbraw/zinc/26/52/39/1064265239.db2.gz QRSYVOMNBMNYJZ-SFHVURJKSA-N 0 0 462.545 4.852 20 5 JJBDRN CC1CCN(c2ccc(C(=O)NCc3ccnc(N4CCCCCC4)c3)cc2[N+](=O)[O-])CC1 ZINC001545865276 1064272811 /nfs/dbraw/zinc/27/28/11/1064272811.db2.gz VHTWHGFWGZWSTD-UHFFFAOYSA-N 0 0 451.571 4.537 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001545869272 1064280724 /nfs/dbraw/zinc/28/07/24/1064280724.db2.gz HYYAPJHJAKXUTE-INIZCTEOSA-N 0 0 454.939 4.803 20 5 JJBDRN CC(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001359739393 1064307056 /nfs/dbraw/zinc/30/70/56/1064307056.db2.gz SJFOGTRVZHRXDR-UHFFFAOYSA-N 0 0 473.471 4.643 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC001434888557 1064320072 /nfs/dbraw/zinc/32/00/72/1064320072.db2.gz UPRXGCCTBGHTGJ-UHFFFAOYSA-N 0 0 455.873 4.541 20 5 JJBDRN CCCOC(=O)c1cc(Br)ccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001434933091 1064359209 /nfs/dbraw/zinc/35/92/09/1064359209.db2.gz OWFPNGYKHGAQOQ-UHFFFAOYSA-N 0 0 457.227 4.655 20 5 JJBDRN CCCOC(=O)c1cc(Br)ccc1NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001434933851 1064359998 /nfs/dbraw/zinc/35/99/98/1064359998.db2.gz UBAXQDYFYBMZKN-UHFFFAOYSA-N 0 0 453.264 4.635 20 5 JJBDRN Cc1csc(Sc2ccc(NC(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)c(C)c2)n1 ZINC001434944830 1064365811 /nfs/dbraw/zinc/36/58/11/1064365811.db2.gz OEWYCRUGLUEODG-IBGZPJMESA-N 0 0 454.533 4.951 20 5 JJBDRN CCCC[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001434950965 1064372665 /nfs/dbraw/zinc/37/26/65/1064372665.db2.gz YTHAQGQZOTUWHX-MBSDFSHPSA-N 0 0 452.555 4.612 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001359762001 1064373595 /nfs/dbraw/zinc/37/35/95/1064373595.db2.gz OTSTZWQOCAGTEC-FUDKSRODSA-N 0 0 471.602 4.556 20 5 JJBDRN COc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2C)cc([N+](=O)[O-])c1C ZINC001434964597 1064379740 /nfs/dbraw/zinc/37/97/40/1064379740.db2.gz UGXYPOSLHBOQDV-JOCHJYFZSA-N 0 0 459.502 4.821 20 5 JJBDRN CCC(CC)(NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccc(Cl)cc1 ZINC001434973635 1064388095 /nfs/dbraw/zinc/38/80/95/1064388095.db2.gz CKXKITLHACDSDI-UHFFFAOYSA-N 0 0 454.914 4.548 20 5 JJBDRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001434976558 1064392187 /nfs/dbraw/zinc/39/21/87/1064392187.db2.gz VCFLOXDNAJQWJG-SFHVURJKSA-N 0 0 459.713 4.860 20 5 JJBDRN CC(C)Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001359784295 1064436989 /nfs/dbraw/zinc/43/69/89/1064436989.db2.gz XMPFXIFAFHBMEJ-JOCHJYFZSA-N 0 0 455.603 4.946 20 5 JJBDRN Cc1cc(C)c2c(c1)N(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC001435022563 1064440351 /nfs/dbraw/zinc/44/03/51/1064440351.db2.gz LNDSOXOTSCZRGV-RUZDIDTESA-N 0 0 453.539 4.931 20 5 JJBDRN C[C@@H](C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC001359797521 1064459868 /nfs/dbraw/zinc/45/98/68/1064459868.db2.gz GZVCFMCPUTYCTF-QLFBSQMISA-N 0 0 451.445 4.969 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1 ZINC001435044064 1064460824 /nfs/dbraw/zinc/46/08/24/1064460824.db2.gz JPCZSQSJQFYKKC-UHFFFAOYSA-N 0 0 459.568 4.523 20 5 JJBDRN CC(C)COc1ccc(C(C)(C)CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001435101023 1064514459 /nfs/dbraw/zinc/51/44/59/1064514459.db2.gz WBKNKDLOXMGTSG-UHFFFAOYSA-N 0 0 450.539 4.738 20 5 JJBDRN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001359837913 1064524597 /nfs/dbraw/zinc/52/45/97/1064524597.db2.gz PYSIMZQEYREWMR-OYHNWAKOSA-N 0 0 453.967 4.771 20 5 JJBDRN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC001435126127 1064532590 /nfs/dbraw/zinc/53/25/90/1064532590.db2.gz NXGWWOIDZJPPIT-TZIWHRDSSA-N 0 0 458.511 4.521 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001435127292 1064533115 /nfs/dbraw/zinc/53/31/15/1064533115.db2.gz QIZHVSIGIWWBIT-HNNXBMFYSA-N 0 0 451.445 4.674 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)c[nH]2)C(C)C)cc1[N+](=O)[O-] ZINC001435139338 1064540909 /nfs/dbraw/zinc/54/09/09/1064540909.db2.gz PUYNOXPFGBBNPH-UHFFFAOYSA-N 0 0 456.886 4.726 20 5 JJBDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001435145598 1064545786 /nfs/dbraw/zinc/54/57/86/1064545786.db2.gz YHVWQWJHKMMJJQ-CYBMUJFWSA-N 0 0 452.736 4.530 20 5 JJBDRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435147766 1064548286 /nfs/dbraw/zinc/54/82/86/1064548286.db2.gz KONIYSXKUZPDPV-UHFFFAOYSA-N 0 0 456.401 4.881 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001435150418 1064550272 /nfs/dbraw/zinc/55/02/72/1064550272.db2.gz ZIZDYRSLMPMRMV-DVOMOZLQSA-N 0 0 450.276 4.606 20 5 JJBDRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001435161279 1064556849 /nfs/dbraw/zinc/55/68/49/1064556849.db2.gz CNMWHRQZVDOHQH-UHFFFAOYSA-N 0 0 456.281 4.676 20 5 JJBDRN COC(=O)c1ccc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)cc1Cl ZINC001435175957 1064569448 /nfs/dbraw/zinc/56/94/48/1064569448.db2.gz ZOTIAOFGNMEJRK-ZDUSSCGKSA-N 0 0 454.870 4.855 20 5 JJBDRN CC(C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)OC(C)(C)C)C1 ZINC001359878183 1064569685 /nfs/dbraw/zinc/56/96/85/1064569685.db2.gz HETOJMDMABVADT-GOSISDBHSA-N 0 0 472.590 4.641 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001435187742 1064576607 /nfs/dbraw/zinc/57/66/07/1064576607.db2.gz XVBMIOASJFTVCD-VBKZILBWSA-N 0 0 450.520 4.706 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)s2)cc1 ZINC001435189767 1064579185 /nfs/dbraw/zinc/57/91/85/1064579185.db2.gz SHOTUDBZWYAMMH-CQSZACIVSA-N 0 0 450.520 4.867 20 5 JJBDRN COC(=O)Cc1csc(N(C)C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC001435194287 1064583295 /nfs/dbraw/zinc/58/32/95/1064583295.db2.gz JDVPMHXXNCAFTJ-UHFFFAOYSA-N 0 0 457.533 4.503 20 5 JJBDRN COC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC001435195294 1064583610 /nfs/dbraw/zinc/58/36/10/1064583610.db2.gz QHKUEFTTYXWGOB-UHFFFAOYSA-N 0 0 453.838 4.539 20 5 JJBDRN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cccc([N+](=O)[O-])c1Br ZINC001435198024 1064586412 /nfs/dbraw/zinc/58/64/12/1064586412.db2.gz HVVWUUKWJZSHTD-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN COc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1cscn1 ZINC001435203566 1064589683 /nfs/dbraw/zinc/58/96/83/1064589683.db2.gz UKMKEPDNBOGUGC-OAQYLSRUSA-N 0 0 457.533 4.527 20 5 JJBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)C1(Cc2ccc(F)cc2)CCOCC1 ZINC001435220686 1064600634 /nfs/dbraw/zinc/60/06/34/1064600634.db2.gz LUOMAASHJFBAPK-UHFFFAOYSA-N 0 0 452.276 4.579 20 5 JJBDRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001435221990 1064602130 /nfs/dbraw/zinc/60/21/30/1064602130.db2.gz SWVROQVMXAIBBI-UHFFFAOYSA-N 0 0 452.263 4.536 20 5 JJBDRN CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)NC(=O)OC(C)(C)C ZINC001435222182 1064603141 /nfs/dbraw/zinc/60/31/41/1064603141.db2.gz SISONVHPRWDXKX-WBMJQRKESA-N 0 0 459.337 4.586 20 5 JJBDRN CC(C)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001359898826 1064603928 /nfs/dbraw/zinc/60/39/28/1064603928.db2.gz HGDQNORULOHSQS-GOSISDBHSA-N 0 0 485.564 4.940 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c([N+](=O)[O-])c1 ZINC001435227556 1064607591 /nfs/dbraw/zinc/60/75/91/1064607591.db2.gz AMFPBWAHJLRGCP-UHFFFAOYSA-N 0 0 451.527 4.774 20 5 JJBDRN Cc1c(Br)cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC001435231882 1064611363 /nfs/dbraw/zinc/61/13/63/1064611363.db2.gz WZHDHFWTGDISPY-UHFFFAOYSA-N 0 0 456.296 4.570 20 5 JJBDRN CC(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001359902717 1064615773 /nfs/dbraw/zinc/61/57/73/1064615773.db2.gz SHLFLRKBRLPJTJ-IBGZPJMESA-N 0 0 496.616 4.679 20 5 JJBDRN CC(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001359902718 1064615781 /nfs/dbraw/zinc/61/57/81/1064615781.db2.gz SHLFLRKBRLPJTJ-LJQANCHMSA-N 0 0 496.616 4.679 20 5 JJBDRN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001359903485 1064617989 /nfs/dbraw/zinc/61/79/89/1064617989.db2.gz APRLQKVJJIKRJQ-INIZCTEOSA-N 0 0 459.808 4.824 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c2ccccc2Cl)cc1 ZINC001435241996 1064621262 /nfs/dbraw/zinc/62/12/62/1064621262.db2.gz RLYBAXJQJSXYGR-NRFANRHFSA-N 0 0 455.854 4.993 20 5 JJBDRN CSc1ccc(-c2nsc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC001435251357 1064628392 /nfs/dbraw/zinc/62/83/92/1064628392.db2.gz AITFGNVPNKIOAV-UHFFFAOYSA-N 0 0 455.565 4.690 20 5 JJBDRN CC(C)CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001359914057 1064633087 /nfs/dbraw/zinc/63/30/87/1064633087.db2.gz BAHFUEIJXIONBB-UHFFFAOYSA-N 0 0 478.475 4.720 20 5 JJBDRN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC001435264197 1064641004 /nfs/dbraw/zinc/64/10/04/1064641004.db2.gz HGCLIGSBRXRVOM-UHFFFAOYSA-N 0 0 457.280 4.954 20 5 JJBDRN Cc1ccc(OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c(I)c1 ZINC001435282380 1064659527 /nfs/dbraw/zinc/65/95/27/1064659527.db2.gz FRYWAWHULYVTEO-UHFFFAOYSA-N 0 0 451.138 4.746 20 5 JJBDRN CCOC(=O)COc1ccc(OC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC001435284096 1064662093 /nfs/dbraw/zinc/66/20/93/1064662093.db2.gz FSBIYCISLUMAJJ-UHFFFAOYSA-N 0 0 453.472 4.907 20 5 JJBDRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001435297989 1064673601 /nfs/dbraw/zinc/67/36/01/1064673601.db2.gz QUYZGFXWCLXGAC-UHFFFAOYSA-N 0 0 450.401 4.781 20 5 JJBDRN O=C(c1cc2c(c(Br)c1)OCO2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001435300865 1064676051 /nfs/dbraw/zinc/67/60/51/1064676051.db2.gz KGPLUKHWAPMOMS-UHFFFAOYSA-N 0 0 455.264 4.933 20 5 JJBDRN COc1cc(C(=O)NC[C@H](C)Oc2ccccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435303059 1064678404 /nfs/dbraw/zinc/67/84/04/1064678404.db2.gz UKTRLZFQIMYNED-SFHVURJKSA-N 0 0 450.491 4.688 20 5 JJBDRN CC(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001359940381 1064685052 /nfs/dbraw/zinc/68/50/52/1064685052.db2.gz KKYAGRFKOCKIQZ-UHFFFAOYSA-N 0 0 492.628 4.821 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC001435323953 1064697323 /nfs/dbraw/zinc/69/73/23/1064697323.db2.gz PLNOVRMBKBXGJC-UGSOOPFHSA-N 0 0 450.322 4.692 20 5 JJBDRN Cc1cc2c(c(F)c1)C[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N2C(=O)OC(C)(C)C ZINC001435325308 1064697979 /nfs/dbraw/zinc/69/79/79/1064697979.db2.gz UOVKNNREIWUBJS-BTYIYWSLSA-N 0 0 457.502 4.894 20 5 JJBDRN COC[C@H](C)[C@@H](C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435349346 1064716155 /nfs/dbraw/zinc/71/61/55/1064716155.db2.gz CILSHDQBQKHZPU-NWDGAFQWSA-N 0 0 455.294 4.978 20 5 JJBDRN O=C(/C=C\c1ccncn1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435349627 1064716640 /nfs/dbraw/zinc/71/66/40/1064716640.db2.gz DEULNIGNCFAFKN-KXFIGUGUSA-N 0 0 459.245 4.563 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]2CCCC[C@@H]21 ZINC001435359278 1064723161 /nfs/dbraw/zinc/72/31/61/1064723161.db2.gz RWDIDWNEEWSIHR-HJNYFJLDSA-N 0 0 459.587 4.992 20 5 JJBDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001435368253 1064727175 /nfs/dbraw/zinc/72/71/75/1064727175.db2.gz FXLDPUWGKXLBCW-HXUWFJFHSA-N 0 0 451.866 4.576 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCSc3ccncc32)cc1[N+](=O)[O-] ZINC001435392086 1064736597 /nfs/dbraw/zinc/73/65/97/1064736597.db2.gz VQNWKGPSVUHLQE-UHFFFAOYSA-N 0 0 451.529 4.695 20 5 JJBDRN Cc1cc2c(cc1Br)N(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC001435404224 1064741537 /nfs/dbraw/zinc/74/15/37/1064741537.db2.gz MNYZIDNOSXMLFA-LBPRGKRZSA-N 0 0 451.292 4.897 20 5 JJBDRN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(OC(F)F)c1 ZINC001435454579 1064766450 /nfs/dbraw/zinc/76/64/50/1064766450.db2.gz PSMHWNYDUCZGHV-UHFFFAOYSA-N 0 0 459.243 4.678 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC001435461859 1064771298 /nfs/dbraw/zinc/77/12/98/1064771298.db2.gz RKVKIRBYUXFQLY-UHFFFAOYSA-N 0 0 455.923 4.569 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1OC ZINC001435465641 1064773944 /nfs/dbraw/zinc/77/39/44/1064773944.db2.gz YUKBXMKYNRICIA-UHFFFAOYSA-N 0 0 450.413 4.950 20 5 JJBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001435476841 1064780175 /nfs/dbraw/zinc/78/01/75/1064780175.db2.gz ZVUWCBCWHVBDQM-QFIPXVFZSA-N 0 0 459.502 4.773 20 5 JJBDRN COc1cc(C)ccc1CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001435495553 1064788963 /nfs/dbraw/zinc/78/89/63/1064788963.db2.gz OHAOEVXQRXQTKP-UHFFFAOYSA-N 0 0 450.516 4.795 20 5 JJBDRN COc1cc(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc([N+](=O)[O-])c1C ZINC001360005099 1064792473 /nfs/dbraw/zinc/79/24/73/1064792473.db2.gz ATAMJWSJYJAZLO-OAHLLOKOSA-N 0 0 451.342 4.983 20 5 JJBDRN Cc1c(Br)cc(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc1[N+](=O)[O-] ZINC001435504758 1064793267 /nfs/dbraw/zinc/79/32/67/1064793267.db2.gz WBSIKOUYAVGWKF-UHFFFAOYSA-N 0 0 452.648 4.726 20 5 JJBDRN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC001435538388 1064816032 /nfs/dbraw/zinc/81/60/32/1064816032.db2.gz ATJHDWFNYKXHMN-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC(C(C)(C)C)C2)[C@H](C)C1=O ZINC001360017056 1064816087 /nfs/dbraw/zinc/81/60/87/1064816087.db2.gz BRSFLMTXTYIHSW-FQVISZRSSA-N 0 0 468.602 4.544 20 5 JJBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC001435553387 1064826932 /nfs/dbraw/zinc/82/69/32/1064826932.db2.gz RPXUJOHKVGCZMF-UHFFFAOYSA-N 0 0 459.380 4.580 20 5 JJBDRN O=C(NCCc1cccc(OCc2ccccc2)c1)c1c(Br)cccc1[N+](=O)[O-] ZINC001435562121 1064833774 /nfs/dbraw/zinc/83/37/74/1064833774.db2.gz IQCXPXKDLJIRMT-UHFFFAOYSA-N 0 0 455.308 4.909 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cc(Br)cc2cccnc21 ZINC001435564607 1064836054 /nfs/dbraw/zinc/83/60/54/1064836054.db2.gz PGALPWNVSMLXEG-UHFFFAOYSA-N 0 0 451.074 4.920 20 5 JJBDRN CO[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(Br)s1 ZINC001435565125 1064837244 /nfs/dbraw/zinc/83/72/44/1064837244.db2.gz RKFYQZBGPCXLQX-LBPRGKRZSA-N 0 0 450.108 4.508 20 5 JJBDRN O=C(NCCc1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1Br ZINC001435566375 1064837917 /nfs/dbraw/zinc/83/79/17/1064837917.db2.gz LJTKJWXQZBXSOI-UHFFFAOYSA-N 0 0 455.308 4.909 20 5 JJBDRN CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001360037464 1064846692 /nfs/dbraw/zinc/84/66/92/1064846692.db2.gz KSAHNJHWPZBSSI-OAQYLSRUSA-N 0 0 453.882 4.682 20 5 JJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)c1 ZINC001435602548 1064866719 /nfs/dbraw/zinc/86/67/19/1064866719.db2.gz PDDBKTSQMXROQX-CQSZACIVSA-N 0 0 459.474 4.529 20 5 JJBDRN COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1Cl ZINC001435610282 1064874713 /nfs/dbraw/zinc/87/47/13/1064874713.db2.gz SYORQYLIYRXJCL-UHFFFAOYSA-N 0 0 456.838 4.845 20 5 JJBDRN COC(=O)c1ccc([C@@H](OC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001435611143 1064875276 /nfs/dbraw/zinc/87/52/76/1064875276.db2.gz VMPAAQIVWLAKSP-CQSZACIVSA-N 0 0 451.275 4.861 20 5 JJBDRN CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCC(F)(F)CC2)C1 ZINC001360058670 1064895355 /nfs/dbraw/zinc/89/53/55/1064895355.db2.gz UJBSTRPRGQGUPS-FQEVSTJZSA-N 0 0 463.529 4.930 20 5 JJBDRN COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1[N+](=O)[O-] ZINC001435651914 1064908802 /nfs/dbraw/zinc/90/88/02/1064908802.db2.gz CWRBBACHCVMXSD-IBGZPJMESA-N 0 0 453.882 4.757 20 5 JJBDRN CC(C)COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001360066730 1064910182 /nfs/dbraw/zinc/91/01/82/1064910182.db2.gz MSDOMSRNZKTNHN-NRFANRHFSA-N 0 0 459.591 4.700 20 5 JJBDRN O=C(NCCCc1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001360069258 1064914199 /nfs/dbraw/zinc/91/41/99/1064914199.db2.gz VRJXGIXQYXTIRD-UHFFFAOYSA-N 0 0 453.436 4.718 20 5 JJBDRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001435663814 1064917604 /nfs/dbraw/zinc/91/76/04/1064917604.db2.gz VSANFAAKTKXKFP-PMACEKPBSA-N 0 0 451.523 4.791 20 5 JJBDRN CN(C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435671910 1064925241 /nfs/dbraw/zinc/92/52/41/1064925241.db2.gz DDPXXGRMVKJWRA-UHFFFAOYSA-N 0 0 452.536 4.771 20 5 JJBDRN CC(C)CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001360076378 1064925839 /nfs/dbraw/zinc/92/58/39/1064925839.db2.gz NNGXDLCIEPKDMS-UHFFFAOYSA-N 0 0 487.548 4.526 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nc2ccccc2o1 ZINC001435675581 1064928520 /nfs/dbraw/zinc/92/85/20/1064928520.db2.gz UQUKJPZONSDDFG-JTQLQIEISA-N 0 0 452.204 4.567 20 5 JJBDRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001360078886 1064932682 /nfs/dbraw/zinc/93/26/82/1064932682.db2.gz JVXMWGKJVQHOOX-HXUWFJFHSA-N 0 0 451.914 4.766 20 5 JJBDRN COc1ccc(SCCC(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1OC ZINC001435691420 1064937793 /nfs/dbraw/zinc/93/77/93/1064937793.db2.gz MRWDYZNZEZBQQA-QHCPKHFHSA-N 0 0 454.504 4.822 20 5 JJBDRN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001435691994 1064938394 /nfs/dbraw/zinc/93/83/94/1064938394.db2.gz UECKPIAVOBBNJM-CTNGQTDRSA-N 0 0 455.829 4.608 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC001435696352 1064942865 /nfs/dbraw/zinc/94/28/65/1064942865.db2.gz KUABHGMTDFIADK-SNVBAGLBSA-N 0 0 457.683 4.502 20 5 JJBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC001435721041 1064955138 /nfs/dbraw/zinc/95/51/38/1064955138.db2.gz IUQSEMNLSBFDOE-UHFFFAOYSA-N 0 0 457.328 4.747 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cncc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001435730171 1064961241 /nfs/dbraw/zinc/96/12/41/1064961241.db2.gz FMJLYCSXXFOAHY-IBGZPJMESA-N 0 0 455.298 4.675 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001435733983 1064963724 /nfs/dbraw/zinc/96/37/24/1064963724.db2.gz WMWYWRBZSMTXDP-SJORKVTESA-N 0 0 455.511 4.762 20 5 JJBDRN Cc1ccc(C(=O)N[C@@H](CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c2ccccc2)cc1 ZINC001435752329 1064976266 /nfs/dbraw/zinc/97/62/66/1064976266.db2.gz YONBMPDBUDSBIC-VWLOTQADSA-N 0 0 457.530 4.956 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2-c2cnn(C)c2)cc1 ZINC001435776537 1064987397 /nfs/dbraw/zinc/98/73/97/1064987397.db2.gz SMWDQOQZOYATSB-UHFFFAOYSA-N 0 0 458.474 4.726 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1CCCOC(F)(F)F ZINC001360115592 1064997837 /nfs/dbraw/zinc/99/78/37/1064997837.db2.gz CGCNTAMKQGDVGN-UHFFFAOYSA-N 0 0 466.464 4.533 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001360115666 1064998399 /nfs/dbraw/zinc/99/83/99/1064998399.db2.gz FWXNPSHXIAELHP-UHFFFAOYSA-N 0 0 468.558 4.830 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(F)(F)F ZINC001360115930 1064998984 /nfs/dbraw/zinc/99/89/84/1064998984.db2.gz OJCHKTAUVMLRAK-UHFFFAOYSA-N 0 0 465.480 4.590 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1CC(F)(F)Br ZINC001360115917 1064999146 /nfs/dbraw/zinc/99/91/46/1064999146.db2.gz NWXLBYZYQRRYMO-UHFFFAOYSA-N 0 0 469.290 4.584 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C(C)C ZINC001360117159 1065003042 /nfs/dbraw/zinc/00/30/42/1065003042.db2.gz ZAFNTTPHIVITSN-XLGIIRLISA-N 0 0 487.645 4.927 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)cc1[N+](=O)[O-] ZINC001435826160 1065011309 /nfs/dbraw/zinc/01/13/09/1065011309.db2.gz FEXJGWXRMNPEBE-UHFFFAOYSA-N 0 0 451.822 4.593 20 5 JJBDRN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435835149 1065015958 /nfs/dbraw/zinc/01/59/58/1065015958.db2.gz BJSGPCNHIDFXRQ-YKSBVNFPSA-N 0 0 450.466 4.963 20 5 JJBDRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001435836661 1065016551 /nfs/dbraw/zinc/01/65/51/1065016551.db2.gz NVGLGZBTZHUOCL-UHFFFAOYSA-N 0 0 453.264 4.633 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867354 1065034475 /nfs/dbraw/zinc/03/44/75/1065034475.db2.gz GIYJVFDINRMNEI-CQSZACIVSA-N 0 0 457.246 4.935 20 5 JJBDRN COc1cc(C(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)c([N+](=O)[O-])cc1OC ZINC001435889220 1065046534 /nfs/dbraw/zinc/04/65/34/1065046534.db2.gz CEHQBCGITPLDNR-FQEVSTJZSA-N 0 0 451.317 4.676 20 5 JJBDRN CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001360161610 1065059278 /nfs/dbraw/zinc/05/92/78/1065059278.db2.gz LYBABKQQBXDCAD-UHFFFAOYSA-N 0 0 452.292 4.888 20 5 JJBDRN COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001360165657 1065062712 /nfs/dbraw/zinc/06/27/12/1065062712.db2.gz UMLWQKBFLQEBEI-GOSISDBHSA-N 0 0 457.596 4.998 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCc1ccccc1OC(F)F ZINC001435928700 1065067964 /nfs/dbraw/zinc/06/79/64/1065067964.db2.gz MKRFDWXOZXBJLW-UHFFFAOYSA-N 0 0 450.385 4.666 20 5 JJBDRN O=C(Oc1cnc2ccc(Br)cc2c1)c1cc([N+](=O)[O-])ccc1Br ZINC001435937508 1065072112 /nfs/dbraw/zinc/07/21/12/1065072112.db2.gz HFPBFCNDRWTYNU-UHFFFAOYSA-N 0 0 452.058 4.887 20 5 JJBDRN C[C@@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c2cccc(F)c2O1 ZINC001435937302 1065072146 /nfs/dbraw/zinc/07/21/46/1065072146.db2.gz OSWWTOSNLSXKIH-SNVBAGLBSA-N 0 0 451.241 4.654 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCC(C)(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001360247450 1065097804 /nfs/dbraw/zinc/09/78/04/1065097804.db2.gz YVNXLHPINDWGQP-VWLOTQADSA-N 0 0 455.555 4.720 20 5 JJBDRN CN(C)c1ccc(C2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)cc1 ZINC001435995684 1065099071 /nfs/dbraw/zinc/09/90/71/1065099071.db2.gz UMIHIMVBERAKEE-UHFFFAOYSA-N 0 0 451.445 4.622 20 5 JJBDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001360256210 1065102402 /nfs/dbraw/zinc/10/24/02/1065102402.db2.gz NQNRFFYVOVGDHE-WJOKGBTCSA-N 0 0 458.458 4.835 20 5 JJBDRN COC(=O)[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC001436004537 1065104200 /nfs/dbraw/zinc/10/42/00/1065104200.db2.gz MKXRAKBGJMVBMI-LJQANCHMSA-N 0 0 459.911 4.566 20 5 JJBDRN CCOC(=O)N1CCC([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC001436008088 1065104970 /nfs/dbraw/zinc/10/49/70/1065104970.db2.gz PPUIKFDNLQGYGB-MRXNPFEDSA-N 0 0 457.552 4.733 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cnc2c(Br)cccc2c1 ZINC001436022262 1065119561 /nfs/dbraw/zinc/11/95/61/1065119561.db2.gz MFKGQKVSJMEKKO-JTQLQIEISA-N 0 0 451.660 4.932 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC001436056598 1065149289 /nfs/dbraw/zinc/14/92/89/1065149289.db2.gz DQVZEBXMLDHFFO-UHFFFAOYSA-N 0 0 458.106 4.700 20 5 JJBDRN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1F)c1cc(Br)ccc1[N+](=O)[O-] ZINC001436061283 1065152657 /nfs/dbraw/zinc/15/26/57/1065152657.db2.gz BXRQPOSOODVZLY-UHFFFAOYSA-N 0 0 451.079 4.878 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)Nc2cccc(CSCc3ccccc3)c2)cc1[N+](=O)[O-] ZINC001360327657 1065169840 /nfs/dbraw/zinc/16/98/40/1065169840.db2.gz NPBHFWBGEQRGTN-UHFFFAOYSA-N 0 0 456.545 4.684 20 5 JJBDRN O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001436102155 1065181265 /nfs/dbraw/zinc/18/12/65/1065181265.db2.gz JCRJTCWKMGIUBH-UHFFFAOYSA-N 0 0 454.433 4.915 20 5 JJBDRN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC001436108607 1065184289 /nfs/dbraw/zinc/18/42/89/1065184289.db2.gz JOROOWQZWDWVAY-OAQYLSRUSA-N 0 0 455.308 4.836 20 5 JJBDRN CSc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC001360353087 1065200523 /nfs/dbraw/zinc/20/05/23/1065200523.db2.gz CYRWGWIMBIIPIZ-UHFFFAOYSA-N 0 0 451.907 4.600 20 5 JJBDRN COc1cc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001436143688 1065211987 /nfs/dbraw/zinc/21/19/87/1065211987.db2.gz DEVNCFXCXARUMN-GOSISDBHSA-N 0 0 457.483 4.585 20 5 JJBDRN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccnc2c(Cl)cc(Br)cc12 ZINC001436147839 1065214412 /nfs/dbraw/zinc/21/44/12/1065214412.db2.gz HURHFYJNSKMSKD-UHFFFAOYSA-N 0 0 450.676 4.967 20 5 JJBDRN CC(C)OCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nccs2)CC1 ZINC001360376370 1065234393 /nfs/dbraw/zinc/23/43/93/1065234393.db2.gz BQLGHUVMGJVAHR-UHFFFAOYSA-N 0 0 470.599 4.899 20 5 JJBDRN CC(C)OCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001360377173 1065238012 /nfs/dbraw/zinc/23/80/12/1065238012.db2.gz ZJIYOISNKIIAOO-UHFFFAOYSA-N 0 0 487.992 4.750 20 5 JJBDRN Cc1c(Br)cccc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001436222626 1065263350 /nfs/dbraw/zinc/26/33/50/1065263350.db2.gz MTTVALUAWCQVSL-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN CCc1cc(OCC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ccc1Cl ZINC001436223286 1065264102 /nfs/dbraw/zinc/26/41/02/1065264102.db2.gz PCJRHWZZOJJZHW-UHFFFAOYSA-N 0 0 453.720 4.537 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001436230556 1065268839 /nfs/dbraw/zinc/26/88/39/1065268839.db2.gz VEAULVMWGRRRLS-GOSISDBHSA-N 0 0 455.294 4.586 20 5 JJBDRN Cc1cccc(N(CC(C)(C)C)C(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC001436281197 1065285423 /nfs/dbraw/zinc/28/54/23/1065285423.db2.gz WFDCJRYPYFORGB-UHFFFAOYSA-N 0 0 453.280 4.596 20 5 JJBDRN CC(C)(NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ncccn1 ZINC001436292167 1065289251 /nfs/dbraw/zinc/28/92/51/1065289251.db2.gz YFBDZXXMNOYDFO-UHFFFAOYSA-N 0 0 451.533 4.811 20 5 JJBDRN Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001360423953 1065292458 /nfs/dbraw/zinc/29/24/58/1065292458.db2.gz HZXYKJLEYMLYDY-UHFFFAOYSA-N 0 0 450.474 4.865 20 5 JJBDRN CC(C)SCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001360425054 1065294374 /nfs/dbraw/zinc/29/43/74/1065294374.db2.gz SUFPNBNZGLVHHA-TZIWHRDSSA-N 0 0 475.659 4.925 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Br)c(F)c1 ZINC001360432367 1065309271 /nfs/dbraw/zinc/30/92/71/1065309271.db2.gz LNQXNLQRNCLRRF-UHFFFAOYSA-N 0 0 450.186 4.956 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1cc(C2CC2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001436436896 1065318653 /nfs/dbraw/zinc/31/86/53/1065318653.db2.gz HQMWEJYCRVTXNZ-XMMPIXPASA-N 0 0 457.502 4.668 20 5 JJBDRN COc1cc(I)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001436478271 1065329711 /nfs/dbraw/zinc/32/97/11/1065329711.db2.gz MIGDTWCWYBIGQN-UHFFFAOYSA-N 0 0 454.264 4.758 20 5 JJBDRN CC(C)(C)Sc1ccc(NC(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)cc1F ZINC001436486995 1065332518 /nfs/dbraw/zinc/33/25/18/1065332518.db2.gz ZPSMQMXIAHNHHK-UHFFFAOYSA-N 0 0 451.432 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ZINC001438898349 1065763836 /nfs/dbraw/zinc/76/38/36/1065763836.db2.gz IDVNLHJMTMBRCY-UHFFFAOYSA-N 0 0 455.248 4.725 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)cc1OC ZINC001438903485 1065763958 /nfs/dbraw/zinc/76/39/58/1065763958.db2.gz BULVGVSOWXRPAI-QFIPXVFZSA-N 0 0 452.429 4.657 20 5 JJBDRN C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001438905116 1065764477 /nfs/dbraw/zinc/76/44/77/1065764477.db2.gz GLCNALNFOYWUIL-LLVKDONJSA-N 0 0 456.134 4.615 20 5 JJBDRN COc1ccc([N+](=O)[O-])c(C(=O)Oc2cc(C(C)(C)C)ccc2I)c1 ZINC001438904319 1065764491 /nfs/dbraw/zinc/76/44/91/1065764491.db2.gz XPAVLNULXLAPJX-UHFFFAOYSA-N 0 0 455.248 4.725 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cc2cc(Br)ccc2o1 ZINC001438971005 1065773003 /nfs/dbraw/zinc/77/30/03/1065773003.db2.gz ZWPXKCSJMHFCGC-JTQLQIEISA-N 0 0 453.676 4.841 20 5 JJBDRN COc1cccc(Cc2cnc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])s2)c1 ZINC001439099440 1065785823 /nfs/dbraw/zinc/78/58/23/1065785823.db2.gz DGINNAICHJFBQY-UHFFFAOYSA-N 0 0 454.327 4.727 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001439103200 1065786342 /nfs/dbraw/zinc/78/63/42/1065786342.db2.gz LCLVSBHUWTWURY-GOSISDBHSA-N 0 0 451.951 4.938 20 5 JJBDRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001360747202 1065789095 /nfs/dbraw/zinc/78/90/95/1065789095.db2.gz MIZXNVZDIQHWPG-UHFFFAOYSA-N 0 0 451.552 4.730 20 5 JJBDRN Cc1ccc(N(CC2CC2)C(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 ZINC001439274074 1065808735 /nfs/dbraw/zinc/80/87/35/1065808735.db2.gz NOBDWFDGXLMRSH-UHFFFAOYSA-N 0 0 450.276 4.873 20 5 JJBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001439309497 1065813771 /nfs/dbraw/zinc/81/37/71/1065813771.db2.gz ZAQPAMWXQZPTCD-BTDLBPIBSA-N 0 0 463.243 4.892 20 5 JJBDRN CN1C(=O)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC001439322065 1065814324 /nfs/dbraw/zinc/81/43/24/1065814324.db2.gz HLIUZABQNIFJQR-SIKLNZKXSA-N 0 0 475.517 4.610 20 5 JJBDRN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001439355854 1065819285 /nfs/dbraw/zinc/81/92/85/1065819285.db2.gz QCRAHSVQYOEINB-UHFFFAOYSA-N 0 0 450.447 4.705 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001439358038 1065820224 /nfs/dbraw/zinc/82/02/24/1065820224.db2.gz XRUNNXYGCYFJCS-NVXWUHKLSA-N 0 0 451.589 4.718 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1cccc(SC(F)(F)F)c1 ZINC001439376601 1065822297 /nfs/dbraw/zinc/82/22/97/1065822297.db2.gz XLZPCBZSMNIMQN-CYBMUJFWSA-N 0 0 450.442 4.943 20 5 JJBDRN CCCCCCN(Cc1ccc(C)o1)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC001439443294 1065829925 /nfs/dbraw/zinc/82/99/25/1065829925.db2.gz HUNGKBAMOOVLDZ-UHFFFAOYSA-N 0 0 452.511 4.573 20 5 JJBDRN COc1ccc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1C ZINC001439452475 1065830619 /nfs/dbraw/zinc/83/06/19/1065830619.db2.gz LEBGMEWTBYAWHJ-GFCCVEGCSA-N 0 0 455.248 4.743 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1OC ZINC001439543365 1065839122 /nfs/dbraw/zinc/83/91/22/1065839122.db2.gz CAHRGGFWIWFRSA-AWEZNQCLSA-N 0 0 452.429 4.828 20 5 JJBDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)[C@H]2C ZINC001439551247 1065840445 /nfs/dbraw/zinc/84/04/45/1065840445.db2.gz FTBHGKUDLLACTF-AWEZNQCLSA-N 0 0 455.902 4.972 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC001360794619 1065908670 /nfs/dbraw/zinc/90/86/70/1065908670.db2.gz YFVKAGWZNFNPFO-UHFFFAOYSA-N 0 0 454.504 4.968 20 5 JJBDRN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001440072959 1065909421 /nfs/dbraw/zinc/90/94/21/1065909421.db2.gz BBVVNNMFDWPVRP-UHFFFAOYSA-N 0 0 459.877 4.992 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360800720 1065911606 /nfs/dbraw/zinc/91/16/06/1065911606.db2.gz KETWLHCYBQKGIW-LPHOPBHVSA-N 0 0 454.527 4.565 20 5 JJBDRN CCOC(=O)c1csc(N(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)c2ccc(OC)cc2)n1 ZINC001360807483 1065919513 /nfs/dbraw/zinc/91/95/13/1065919513.db2.gz NUPZLPYIUREXRE-UHFFFAOYSA-N 0 0 455.492 4.778 20 5 JJBDRN C[C@H](C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)COCC2)c1ccc([N+](=O)[O-])cc1F ZINC001440168664 1065919575 /nfs/dbraw/zinc/91/95/75/1065919575.db2.gz DQSBKBBMCSDKRL-NSHDSACASA-N 0 0 450.488 4.566 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001440189594 1065922511 /nfs/dbraw/zinc/92/25/11/1065922511.db2.gz ZWRMQAIDWPFUOG-ZDUSSCGKSA-N 0 0 454.280 4.502 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001440395616 1065937737 /nfs/dbraw/zinc/93/77/37/1065937737.db2.gz PGOXUJAEIHVGEY-CYBMUJFWSA-N 0 0 458.927 4.836 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001440395621 1065937753 /nfs/dbraw/zinc/93/77/53/1065937753.db2.gz PGOXUJAEIHVGEY-ZDUSSCGKSA-N 0 0 458.927 4.836 20 5 JJBDRN COC(=O)CCCCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001440397018 1065937977 /nfs/dbraw/zinc/93/79/77/1065937977.db2.gz UKUBIPKLDLOQEM-UHFFFAOYSA-N 0 0 459.549 4.819 20 5 JJBDRN Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(Cl)c1 ZINC001440413428 1065939050 /nfs/dbraw/zinc/93/90/50/1065939050.db2.gz PWGXMVXJJAZROS-UHFFFAOYSA-N 0 0 459.911 4.918 20 5 JJBDRN CC1(C)SCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001360832176 1065943809 /nfs/dbraw/zinc/94/38/09/1065943809.db2.gz GRGGULIXKOOCDI-INIZCTEOSA-N 0 0 497.543 4.733 20 5 JJBDRN CC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001360834185 1065945716 /nfs/dbraw/zinc/94/57/16/1065945716.db2.gz BGXNCFGKCXKPBH-UHFFFAOYSA-N 0 0 463.382 4.975 20 5 JJBDRN Cc1ccc(NCCCNC(=O)c2cc(C)nc3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC001360843697 1065952314 /nfs/dbraw/zinc/95/23/14/1065952314.db2.gz UNLIYCLQHQKAGX-UHFFFAOYSA-N 0 0 457.328 4.754 20 5 JJBDRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440638213 1065956640 /nfs/dbraw/zinc/95/66/40/1065956640.db2.gz KJHSNMTZKVHIDG-SFHVURJKSA-N 0 0 459.852 4.899 20 5 JJBDRN CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360851382 1065964292 /nfs/dbraw/zinc/96/42/92/1065964292.db2.gz JAPUCSWGQBYZHB-HOTGVXAUSA-N 0 0 476.375 4.547 20 5 JJBDRN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001440733121 1065972188 /nfs/dbraw/zinc/97/21/88/1065972188.db2.gz IZNBLTOWLMQPDK-GOSISDBHSA-N 0 0 452.736 4.578 20 5 JJBDRN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc12 ZINC001441239979 1066018452 /nfs/dbraw/zinc/01/84/52/1066018452.db2.gz GJCAQVDPPDTULW-UHFFFAOYSA-N 0 0 455.927 4.799 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001441288715 1066022801 /nfs/dbraw/zinc/02/28/01/1066022801.db2.gz KZZBSAOKWPSOJO-KUHUBIRLSA-N 0 0 451.951 4.821 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001441315686 1066026302 /nfs/dbraw/zinc/02/63/02/1066026302.db2.gz DRTLZLKZJHEKBH-GOSISDBHSA-N 0 0 458.292 4.676 20 5 JJBDRN CN(C)c1ccc(N2CCC(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001360880581 1066033763 /nfs/dbraw/zinc/03/37/63/1066033763.db2.gz FYGIVKBJEQOBJZ-UHFFFAOYSA-N 0 0 459.550 4.803 20 5 JJBDRN COc1ccc(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc1NC(=O)c1cccc(F)c1 ZINC001441510581 1066047441 /nfs/dbraw/zinc/04/74/41/1066047441.db2.gz QXBVIPMYERNZOZ-UHFFFAOYSA-N 0 0 459.380 4.834 20 5 JJBDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001441614181 1066054159 /nfs/dbraw/zinc/05/41/59/1066054159.db2.gz OZJHACQCMMZCKH-WXFUMESZSA-N 0 0 450.535 4.674 20 5 JJBDRN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001441671568 1066059888 /nfs/dbraw/zinc/05/98/88/1066059888.db2.gz XYWGFWYMHPXOMM-UHFFFAOYSA-N 0 0 450.392 4.848 20 5 JJBDRN COc1ccc([C@H](C)CC(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001441742153 1066066573 /nfs/dbraw/zinc/06/65/73/1066066573.db2.gz YEWSFKHZJLOZLP-NQIIRXRSSA-N 0 0 454.523 4.725 20 5 JJBDRN COc1ccc([C@H](C)CC(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001441742157 1066066817 /nfs/dbraw/zinc/06/68/17/1066066817.db2.gz YEWSFKHZJLOZLP-WIYYLYMNSA-N 0 0 454.523 4.725 20 5 JJBDRN Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001360932652 1066090070 /nfs/dbraw/zinc/09/00/70/1066090070.db2.gz PMRQZRYRXKJHKU-OAQYLSRUSA-N 0 0 498.584 4.940 20 5 JJBDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001360934060 1066092215 /nfs/dbraw/zinc/09/22/15/1066092215.db2.gz WHVQMQXEFRCNDR-CYBMUJFWSA-N 0 0 452.736 4.530 20 5 JJBDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001360934061 1066092225 /nfs/dbraw/zinc/09/22/25/1066092225.db2.gz WHVQMQXEFRCNDR-ZDUSSCGKSA-N 0 0 452.736 4.530 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F ZINC001360959185 1066116312 /nfs/dbraw/zinc/11/63/12/1066116312.db2.gz RHESVFPYLVBIBL-CQSZACIVSA-N 0 0 454.401 4.530 20 5 JJBDRN CN(CC(=O)Nc1cccc(Oc2ccccn2)c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001360978114 1066136029 /nfs/dbraw/zinc/13/60/29/1066136029.db2.gz LSDKMPYZHVPQPG-UHFFFAOYSA-N 0 0 457.284 4.620 20 5 JJBDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1(C)C ZINC001360980304 1066138645 /nfs/dbraw/zinc/13/86/45/1066138645.db2.gz UQUPADCNXMJDFG-NHCUHLMSSA-N 0 0 456.564 4.823 20 5 JJBDRN CCOc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC001360980913 1066139097 /nfs/dbraw/zinc/13/90/97/1066139097.db2.gz FBSCKLMOCSPVSG-AWEZNQCLSA-N 0 0 459.499 4.840 20 5 JJBDRN CN(C(=O)c1ccc(Cl)c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1)c1ccccc1 ZINC001361012359 1066197502 /nfs/dbraw/zinc/19/75/02/1066197502.db2.gz DJLAVJXQUGGDBM-UHFFFAOYSA-N 0 0 453.838 4.506 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001443013925 1066253452 /nfs/dbraw/zinc/25/34/52/1066253452.db2.gz UIIZSUFNPVFNRK-UHFFFAOYSA-N 0 0 451.589 4.864 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC001454270344 1066261323 /nfs/dbraw/zinc/26/13/23/1066261323.db2.gz VQAKNIWGBWITMP-UHFFFAOYSA-N 0 0 451.273 4.579 20 5 JJBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001454277371 1066263647 /nfs/dbraw/zinc/26/36/47/1066263647.db2.gz KYLVKOKJDNNZJI-UHFFFAOYSA-N 0 0 450.289 4.981 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)NCC(=O)c2cc(Cl)ccc2F)cc1[N+](=O)[O-])c1ccccn1 ZINC001454407153 1066279981 /nfs/dbraw/zinc/27/99/81/1066279981.db2.gz FLKQPXPARFXQRI-ZDUSSCGKSA-N 0 0 456.861 4.568 20 5 JJBDRN C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001443218252 1066281486 /nfs/dbraw/zinc/28/14/86/1066281486.db2.gz RQZMXMPWPVNNCW-ZDUSSCGKSA-N 0 0 452.467 4.809 20 5 JJBDRN Cc1cccc(CN(Cc2ccccn2)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001443267825 1066287916 /nfs/dbraw/zinc/28/79/16/1066287916.db2.gz VSCPQBSNOIWWKP-UHFFFAOYSA-N 0 0 454.324 4.832 20 5 JJBDRN Cc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2cccnc2)C(C)C)no1 ZINC001361054848 1066291568 /nfs/dbraw/zinc/29/15/68/1066291568.db2.gz IQLWOVAUZVALQS-JOCHJYFZSA-N 0 0 461.526 4.621 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC001454500866 1066293723 /nfs/dbraw/zinc/29/37/23/1066293723.db2.gz SDEOZLOFRFUCIQ-UHFFFAOYSA-N 0 0 451.907 4.580 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c2ccncc2)cc1 ZINC001361062159 1066301845 /nfs/dbraw/zinc/30/18/45/1066301845.db2.gz KJQMITXJQJVGTQ-UHFFFAOYSA-N 0 0 456.296 4.916 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001454591813 1066306178 /nfs/dbraw/zinc/30/61/78/1066306178.db2.gz YOMYPMIJAPCEEU-RDJZCZTQSA-N 0 0 451.589 4.861 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001454591819 1066306405 /nfs/dbraw/zinc/30/64/05/1066306405.db2.gz YOMYPMIJAPCEEU-WBVHZDCISA-N 0 0 451.589 4.861 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001455101032 1066360437 /nfs/dbraw/zinc/36/04/37/1066360437.db2.gz KEPXHEOYUHIZGD-JOCHJYFZSA-N 0 0 453.967 4.960 20 5 JJBDRN CSc1ccc(Oc2ccc(F)cc2CN(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001455269625 1066377262 /nfs/dbraw/zinc/37/72/62/1066377262.db2.gz HOWFSMGVTIPQPC-UHFFFAOYSA-N 0 0 450.879 4.897 20 5 JJBDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001443981990 1066390388 /nfs/dbraw/zinc/39/03/88/1066390388.db2.gz SGXMUVJFMFVNGD-MIAKESKMSA-N 0 0 453.539 4.739 20 5 JJBDRN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001455455718 1066391728 /nfs/dbraw/zinc/39/17/28/1066391728.db2.gz LKWAOORJAOXFQL-OAQYLSRUSA-N 0 0 454.527 4.767 20 5 JJBDRN CC(C)c1cc([C@H]2CCCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]n1 ZINC001455465094 1066394793 /nfs/dbraw/zinc/39/47/93/1066394793.db2.gz UDCNWZNVQRFCCN-AWEZNQCLSA-N 0 0 453.465 4.668 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001361132133 1066401702 /nfs/dbraw/zinc/40/17/02/1066401702.db2.gz ICRXMJPEJKAZRO-WOJBJXKFSA-N 0 0 450.583 4.602 20 5 JJBDRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C[C@]2(C)C1 ZINC001455513811 1066402194 /nfs/dbraw/zinc/40/21/94/1066402194.db2.gz GQEVHONMOFGKIY-SSOJOUAXSA-N 0 0 467.522 4.716 20 5 JJBDRN CC(C)(C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1csc(-c2cccs2)n1 ZINC001455674208 1066422613 /nfs/dbraw/zinc/42/26/13/1066422613.db2.gz BTQKKIFGCVCGAV-UHFFFAOYSA-N 0 0 455.565 4.683 20 5 JJBDRN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001455682076 1066423275 /nfs/dbraw/zinc/42/32/75/1066423275.db2.gz QTDQBWIXJCHOMM-UHFFFAOYSA-N 0 0 452.417 4.904 20 5 JJBDRN Cc1cc(OCc2ccccc2)c(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC001455678494 1066423581 /nfs/dbraw/zinc/42/35/81/1066423581.db2.gz JXUZBGJJBLJUGY-UHFFFAOYSA-N 0 0 450.520 4.783 20 5 JJBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC001361142592 1066424114 /nfs/dbraw/zinc/42/41/14/1066424114.db2.gz BZRSFPWXJBXBJM-IAGOWNOFSA-N 0 0 459.534 4.963 20 5 JJBDRN CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001455810978 1066435795 /nfs/dbraw/zinc/43/57/95/1066435795.db2.gz WMBNJURPGYAHGZ-AWEZNQCLSA-N 0 0 459.930 4.771 20 5 JJBDRN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001444263277 1066438350 /nfs/dbraw/zinc/43/83/50/1066438350.db2.gz FTLRDBUDWBQPFM-LJQANCHMSA-N 0 0 459.325 4.635 20 5 JJBDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc1 ZINC001444328848 1066450039 /nfs/dbraw/zinc/45/00/39/1066450039.db2.gz XOQFHJIWDWHIIL-UHFFFAOYSA-N 0 0 451.570 4.889 20 5 JJBDRN CC(C)(C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001455936229 1066455161 /nfs/dbraw/zinc/45/51/61/1066455161.db2.gz RISFDUWULFDLOT-UHFFFAOYSA-N 0 0 450.466 4.685 20 5 JJBDRN Cc1ccc(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C)c1 ZINC001455950558 1066458802 /nfs/dbraw/zinc/45/88/02/1066458802.db2.gz ZIGCFRLCMOZOHY-UHFFFAOYSA-N 0 0 453.486 4.671 20 5 JJBDRN CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001361158524 1066461198 /nfs/dbraw/zinc/46/11/98/1066461198.db2.gz STMCYBFAVAGIPA-INIZCTEOSA-N 0 0 457.552 4.827 20 5 JJBDRN CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001444480363 1066465263 /nfs/dbraw/zinc/46/52/63/1066465263.db2.gz MNPCKXCNMMMTKM-UHFFFAOYSA-N 0 0 459.978 4.530 20 5 JJBDRN CC(C)(C)n1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2Cl)n1 ZINC001455977729 1066465273 /nfs/dbraw/zinc/46/52/73/1066465273.db2.gz PQDJBHDLACNCDZ-UHFFFAOYSA-N 0 0 456.886 4.662 20 5 JJBDRN O=C(CSc1ccccc1Br)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161212 1066467129 /nfs/dbraw/zinc/46/71/29/1066467129.db2.gz IWMHMVYARCDMOP-UHFFFAOYSA-N 0 0 451.342 4.519 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](COCc4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC001361161590 1066467903 /nfs/dbraw/zinc/46/79/03/1066467903.db2.gz RDXLEJGPECCIDP-SJBKTWHCSA-N 0 0 451.567 4.756 20 5 JJBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001456012810 1066472617 /nfs/dbraw/zinc/47/26/17/1066472617.db2.gz BVCNGBGCULVDCK-QVKFZJNVSA-N 0 0 458.946 4.632 20 5 JJBDRN COC(=O)CC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001456022375 1066479106 /nfs/dbraw/zinc/47/91/06/1066479106.db2.gz ZNSFVPMTZURSLT-UEXGIBASSA-N 0 0 453.539 4.501 20 5 JJBDRN CCCCOCCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC001444613421 1066482734 /nfs/dbraw/zinc/48/27/34/1066482734.db2.gz CIFNCABSKGCYOL-UHFFFAOYSA-N 0 0 450.333 4.863 20 5 JJBDRN O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444645909 1066487957 /nfs/dbraw/zinc/48/79/57/1066487957.db2.gz WCVVYIRDRIYUNE-SFHVURJKSA-N 0 0 458.946 4.783 20 5 JJBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456078906 1066505141 /nfs/dbraw/zinc/50/51/41/1066505141.db2.gz WTLMXYYINFWKNN-QFIPXVFZSA-N 0 0 454.324 4.933 20 5 JJBDRN CCCn1c(C)c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2cc(OC)ccc21 ZINC001444802499 1066505472 /nfs/dbraw/zinc/50/54/72/1066505472.db2.gz OMDRIEMPCRZFAI-UHFFFAOYSA-N 0 0 451.523 4.960 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])C1 ZINC001361185725 1066509569 /nfs/dbraw/zinc/50/95/69/1066509569.db2.gz MFYYZDAOSRUXKQ-STQMWFEESA-N 0 0 456.490 4.525 20 5 JJBDRN COc1cc(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC001361185740 1066509603 /nfs/dbraw/zinc/50/96/03/1066509603.db2.gz MMMSOQWTIXQMSC-UHFFFAOYSA-N 0 0 456.417 4.738 20 5 JJBDRN CN(C[C@H]1CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001444881206 1066516013 /nfs/dbraw/zinc/51/60/13/1066516013.db2.gz QHHLSBAOLQATGT-LJQANCHMSA-N 0 0 454.527 4.810 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001456127985 1066516292 /nfs/dbraw/zinc/51/62/92/1066516292.db2.gz XBEGKFPQUVBIJH-FQEVSTJZSA-N 0 0 453.539 4.945 20 5 JJBDRN CN(C)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cc(C(F)(F)F)c1 ZINC001456132641 1066517630 /nfs/dbraw/zinc/51/76/30/1066517630.db2.gz IGAGYXWUAZTYCP-UHFFFAOYSA-N 0 0 450.186 4.834 20 5 JJBDRN CNc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cc1[N+](=O)[O-] ZINC001444933826 1066519229 /nfs/dbraw/zinc/51/92/29/1066519229.db2.gz BTKLRXWUJMWGOS-UHFFFAOYSA-N 0 0 455.536 4.600 20 5 JJBDRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001444964149 1066523540 /nfs/dbraw/zinc/52/35/40/1066523540.db2.gz BADLZTBQYCXUDL-GTNSWQLSSA-N 0 0 454.239 4.562 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCOc4ccccc4[C@H]3CO)cc2[N+](=O)[O-])cc1 ZINC001456183819 1066531927 /nfs/dbraw/zinc/53/19/27/1066531927.db2.gz IIEREVLBQHWKAX-OAQYLSRUSA-N 0 0 450.516 4.623 20 5 JJBDRN O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001456198795 1066535128 /nfs/dbraw/zinc/53/51/28/1066535128.db2.gz BHQIVJBMWIEQJT-UHFFFAOYSA-N 0 0 457.418 4.758 20 5 JJBDRN Nc1c(Br)cc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1[N+](=O)[O-] ZINC001445058737 1066535244 /nfs/dbraw/zinc/53/52/44/1066535244.db2.gz QHZNYRTXOVWTNX-UHFFFAOYSA-N 0 0 456.271 4.949 20 5 JJBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001456332521 1066564393 /nfs/dbraw/zinc/56/43/93/1066564393.db2.gz FEDICQPVSDCOBL-OAQYLSRUSA-N 0 0 454.477 4.518 20 5 JJBDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([N+](=O)[O-])ccc2I)o1 ZINC001361233440 1066574248 /nfs/dbraw/zinc/57/42/48/1066574248.db2.gz FZVCBORDNNTAQU-ZBEGNZNMSA-N 0 0 454.264 4.714 20 5 JJBDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc([N+](=O)[O-])cc2I)o1 ZINC001361235686 1066575807 /nfs/dbraw/zinc/57/58/07/1066575807.db2.gz YATIERVMPLNWMT-BZNIZROVSA-N 0 0 454.264 4.714 20 5 JJBDRN Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2)c1 ZINC001361237196 1066577646 /nfs/dbraw/zinc/57/76/46/1066577646.db2.gz GYWKHXJHSUERKM-GOSISDBHSA-N 0 0 457.490 4.554 20 5 JJBDRN CCOc1cc(C(=O)NCc2ccc(Oc3ccccc3OC)cc2)c([N+](=O)[O-])cc1OC ZINC001456427077 1066583120 /nfs/dbraw/zinc/58/31/20/1066583120.db2.gz GZYGMORKBWMIPH-UHFFFAOYSA-N 0 0 452.463 4.733 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001456434143 1066584896 /nfs/dbraw/zinc/58/48/96/1066584896.db2.gz UIZYUTLQAYAGSN-NRFANRHFSA-N 0 0 456.882 4.793 20 5 JJBDRN C[C@@H](Oc1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC001456439662 1066587069 /nfs/dbraw/zinc/58/70/69/1066587069.db2.gz DPXCKMFUAXSDGB-MRXNPFEDSA-N 0 0 459.458 4.641 20 5 JJBDRN COc1cc(C(=O)N2CCOC[C@@H]2c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001456440948 1066587405 /nfs/dbraw/zinc/58/74/05/1066587405.db2.gz AHMIZDBZMUCOTF-QGZVFWFLSA-N 0 0 458.854 4.856 20 5 JJBDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001456445203 1066587856 /nfs/dbraw/zinc/58/78/56/1066587856.db2.gz MWLKTILEPRKHGA-UHFFFAOYSA-N 0 0 456.545 4.851 20 5 JJBDRN C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001456503065 1066603816 /nfs/dbraw/zinc/60/38/16/1066603816.db2.gz XINPYHBTSRJFGZ-HNNXBMFYSA-N 0 0 452.898 4.706 20 5 JJBDRN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC001445695397 1066605757 /nfs/dbraw/zinc/60/57/57/1066605757.db2.gz CMYHMKFBUSDZPX-CYBMUJFWSA-N 0 0 452.433 4.978 20 5 JJBDRN COc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c2ccccc2Cl)c1 ZINC001456522521 1066612484 /nfs/dbraw/zinc/61/24/84/1066612484.db2.gz QJVUQLQRQVWHTG-OAQYLSRUSA-N 0 0 454.866 4.547 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC001456545614 1066621362 /nfs/dbraw/zinc/62/13/62/1066621362.db2.gz OWXBJUYGVLJFMM-UHFFFAOYSA-N 0 0 457.335 4.935 20 5 JJBDRN CCn1nnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c1 ZINC001456553863 1066623762 /nfs/dbraw/zinc/62/37/62/1066623762.db2.gz QNIHLPYXHOAKIR-UHFFFAOYSA-N 0 0 452.540 4.803 20 5 JJBDRN C[C@@H]1CN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361270276 1066623888 /nfs/dbraw/zinc/62/38/88/1066623888.db2.gz GJZAPCLJBGIHRA-PHIMTYICSA-N 0 0 459.371 4.758 20 5 JJBDRN Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC001361272279 1066626325 /nfs/dbraw/zinc/62/63/25/1066626325.db2.gz DRPQZBLVWCFXHN-QRWLVFNGSA-N 0 0 498.609 4.621 20 5 JJBDRN COc1ccc2c(c1)CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H](c1ccccc1)C2 ZINC001445862233 1066627838 /nfs/dbraw/zinc/62/78/38/1066627838.db2.gz DMYZACZUOCIDKE-LJQANCHMSA-N 0 0 455.873 4.918 20 5 JJBDRN O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001456588931 1066635085 /nfs/dbraw/zinc/63/50/85/1066635085.db2.gz QJQBXARKPGJYSR-UHFFFAOYSA-N 0 0 456.911 4.764 20 5 JJBDRN CCOC(=O)c1cc(C(=O)Nc2cc(Br)cc(OC(C)C)c2)cc([N+](=O)[O-])c1 ZINC001361278741 1066635966 /nfs/dbraw/zinc/63/59/66/1066635966.db2.gz GGFIOWFDLZVSIQ-UHFFFAOYSA-N 0 0 451.273 4.574 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC001446036442 1066649278 /nfs/dbraw/zinc/64/92/78/1066649278.db2.gz SPEOIQMCUXSHTR-QHCPKHFHSA-N 0 0 451.454 4.611 20 5 JJBDRN O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001446039842 1066649794 /nfs/dbraw/zinc/64/97/94/1066649794.db2.gz YGUXCBVVIHIXGP-JOCHJYFZSA-N 0 0 452.532 4.598 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001456628075 1066650830 /nfs/dbraw/zinc/65/08/30/1066650830.db2.gz QQJPHGANRYKWDA-DNVCBOLYSA-N 0 0 457.552 4.731 20 5 JJBDRN CN(CCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001446246305 1066679698 /nfs/dbraw/zinc/67/96/98/1066679698.db2.gz QOVZEIHIXSZBMW-UHFFFAOYSA-N 0 0 459.465 4.723 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c(N)c1[N+](=O)[O-] ZINC001456749421 1066680541 /nfs/dbraw/zinc/68/05/41/1066680541.db2.gz OBAKTGHLXBYGKY-QGZVFWFLSA-N 0 0 457.531 4.538 20 5 JJBDRN CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456767390 1066683933 /nfs/dbraw/zinc/68/39/33/1066683933.db2.gz CMHOIEIZJSDFET-UHFFFAOYSA-N 0 0 458.277 4.742 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC(Cn2ccnn2)CC1 ZINC001446284479 1066686072 /nfs/dbraw/zinc/68/60/72/1066686072.db2.gz XKKTVLSEHRHSKD-UHFFFAOYSA-N 0 0 457.943 4.543 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC001446423880 1066703678 /nfs/dbraw/zinc/70/36/78/1066703678.db2.gz CVHIBNWMKWGOKK-MRXNPFEDSA-N 0 0 451.910 4.790 20 5 JJBDRN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001456846214 1066705194 /nfs/dbraw/zinc/70/51/94/1066705194.db2.gz YWYYFFBXFFOWNA-SFHVURJKSA-N 0 0 450.516 4.650 20 5 JJBDRN Cc1cc(C)cc(C2CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)c1 ZINC001456849797 1066705707 /nfs/dbraw/zinc/70/57/07/1066705707.db2.gz VVSDAXVIJGATDR-UHFFFAOYSA-N 0 0 451.552 4.511 20 5 JJBDRN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001456918159 1066721799 /nfs/dbraw/zinc/72/17/99/1066721799.db2.gz WFDGGBZQJXCKJD-GOSISDBHSA-N 0 0 457.552 4.827 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC=C(Br)C2)n1 ZINC001492637541 1066724111 /nfs/dbraw/zinc/72/41/11/1066724111.db2.gz UJFZDTXPHLMKFU-CYBMUJFWSA-N 0 0 489.399 4.911 20 5 JJBDRN Cc1csc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001492639980 1066729706 /nfs/dbraw/zinc/72/97/06/1066729706.db2.gz SWTAEQSQDKHATE-QGZVFWFLSA-N 0 0 483.642 4.670 20 5 JJBDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001456957233 1066729770 /nfs/dbraw/zinc/72/97/70/1066729770.db2.gz DSFLTWPKKRNCAH-UHFFFAOYSA-N 0 0 458.440 4.922 20 5 JJBDRN O=C(c1cn2ccc(Br)cc2n1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001456957563 1066729838 /nfs/dbraw/zinc/72/98/38/1066729838.db2.gz GCECNVAEZFVAOK-UHFFFAOYSA-N 0 0 451.280 4.852 20 5 JJBDRN CCCc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cc(F)c(OC)cc1F ZINC001457017333 1066743859 /nfs/dbraw/zinc/74/38/59/1066743859.db2.gz DHJXNQLPDRVLMN-AWEZNQCLSA-N 0 0 458.465 4.819 20 5 JJBDRN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1F ZINC001447048069 1066768715 /nfs/dbraw/zinc/76/87/15/1066768715.db2.gz HTOWSYQMXRFRNM-QFIPXVFZSA-N 0 0 451.502 4.856 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccc(I)cc1 ZINC001447103402 1066773226 /nfs/dbraw/zinc/77/32/26/1066773226.db2.gz CSOWCJFXVLIAJA-MRXNPFEDSA-N 0 0 456.667 4.830 20 5 JJBDRN O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1ccccc1F ZINC001457158284 1066775721 /nfs/dbraw/zinc/77/57/21/1066775721.db2.gz YGHIQQCLSJNLIB-UHFFFAOYSA-N 0 0 459.543 4.566 20 5 JJBDRN CN(CCc1ccccc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001457167421 1066778160 /nfs/dbraw/zinc/77/81/60/1066778160.db2.gz KCEWGYCSRQAWGZ-UHFFFAOYSA-N 0 0 455.555 4.757 20 5 JJBDRN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC001457173652 1066780246 /nfs/dbraw/zinc/78/02/46/1066780246.db2.gz XIVLCMKUMFAKCN-UHFFFAOYSA-N 0 0 451.273 4.948 20 5 JJBDRN CSc1cccc([C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2ccc(F)c(F)c2)c1 ZINC001457203820 1066788825 /nfs/dbraw/zinc/78/88/25/1066788825.db2.gz NIXGJLDOWHFQMS-HXUWFJFHSA-N 0 0 454.458 4.991 20 5 JJBDRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n1C ZINC001457214982 1066792094 /nfs/dbraw/zinc/79/20/94/1066792094.db2.gz JAAMUIHBAZBJQC-CYBMUJFWSA-N 0 0 458.273 4.533 20 5 JJBDRN Cc1nc(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CCCS2)cs1 ZINC001492669620 1066798656 /nfs/dbraw/zinc/79/86/56/1066798656.db2.gz DXJMQAUQWPGNRK-FQEVSTJZSA-N 0 0 472.640 4.853 20 5 JJBDRN Cc1nc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)ccc1[N+](=O)[O-] ZINC001457291271 1066805108 /nfs/dbraw/zinc/80/51/08/1066805108.db2.gz LXCUPMILCBSILM-UHFFFAOYSA-N 0 0 455.062 4.822 20 5 JJBDRN O=C(NC[C@@H](Cc1ccccc1)c1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001457314237 1066808090 /nfs/dbraw/zinc/80/80/90/1066808090.db2.gz QTKWBRMCEBCUCB-OAHLLOKOSA-N 0 0 458.287 4.648 20 5 JJBDRN O=C(Nc1ccc(F)cc1I)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001457313197 1066808188 /nfs/dbraw/zinc/80/81/88/1066808188.db2.gz DUGDLKURMZIJSZ-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001447522681 1066817910 /nfs/dbraw/zinc/81/79/10/1066817910.db2.gz JXBUVJWOBGSAOD-IBGZPJMESA-N 0 0 457.939 4.952 20 5 JJBDRN Cc1nc(Cc2nnc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2CC(C)(C)C(C)C)cs1 ZINC001492680591 1066823252 /nfs/dbraw/zinc/82/32/52/1066823252.db2.gz SBHGMTCMJOHUEX-UHFFFAOYSA-N 0 0 483.642 4.551 20 5 JJBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC1CCC(CO)CC1 ZINC001447592288 1066826760 /nfs/dbraw/zinc/82/67/60/1066826760.db2.gz GXFGOXVHVKHDHL-QGOAFFKASA-N 0 0 451.548 4.803 20 5 JJBDRN Cc1cccc(COc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2)c1 ZINC001447667613 1066839798 /nfs/dbraw/zinc/83/97/98/1066839798.db2.gz XVJLUKPFRIEJKZ-UHFFFAOYSA-N 0 0 457.486 4.726 20 5 JJBDRN CC(C)[C@@](C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC001447722057 1066847783 /nfs/dbraw/zinc/84/77/83/1066847783.db2.gz GYZYKPXEOPKZMB-OAQYLSRUSA-N 0 0 458.312 4.912 20 5 JJBDRN O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001447842597 1066867806 /nfs/dbraw/zinc/86/78/06/1066867806.db2.gz BYEYAWUTILPQAY-UHFFFAOYSA-N 0 0 456.174 4.898 20 5 JJBDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001447973595 1066886177 /nfs/dbraw/zinc/88/61/77/1066886177.db2.gz QRIPQGZWBBCHMF-INIZCTEOSA-N 0 0 457.328 4.841 20 5 JJBDRN CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001448016576 1066890577 /nfs/dbraw/zinc/89/05/77/1066890577.db2.gz IXAVNUXUAAUBEK-INIZCTEOSA-N 0 0 457.328 4.747 20 5 JJBDRN Cc1cccc(C)c1OC[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccccc1 ZINC001457664919 1066893304 /nfs/dbraw/zinc/89/33/04/1066893304.db2.gz WQDCPBWBPYELAT-NRFANRHFSA-N 0 0 451.498 4.967 20 5 JJBDRN CC(=O)Nc1sc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])nc1-c1ccccc1 ZINC001448128793 1066903080 /nfs/dbraw/zinc/90/30/80/1066903080.db2.gz ZKWVCVBVBYNGPH-UHFFFAOYSA-N 0 0 459.487 4.991 20 5 JJBDRN Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1NC(=O)N(C)C ZINC001448197068 1066909054 /nfs/dbraw/zinc/90/90/54/1066909054.db2.gz YLDBSZVFSXXWNK-UHFFFAOYSA-N 0 0 450.445 4.614 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC001457743927 1066909482 /nfs/dbraw/zinc/90/94/82/1066909482.db2.gz WPZUIYVPFFLNEV-UHFFFAOYSA-N 0 0 456.886 4.892 20 5 JJBDRN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nc1 ZINC001448218800 1066909820 /nfs/dbraw/zinc/90/98/20/1066909820.db2.gz CDLUXVXRWCUXHM-UHFFFAOYSA-N 0 0 457.895 4.511 20 5 JJBDRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001457773092 1066915992 /nfs/dbraw/zinc/91/59/92/1066915992.db2.gz KHRGTPVGRMBXJC-INIZCTEOSA-N 0 0 451.262 4.552 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001448357506 1066919462 /nfs/dbraw/zinc/91/94/62/1066919462.db2.gz QKFBNDWMVWUXLX-FQEVSTJZSA-N 0 0 458.342 4.765 20 5 JJBDRN Cc1cc(C)n(CC2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCSC(C)C)CC2)n1 ZINC001492759293 1066930861 /nfs/dbraw/zinc/93/08/61/1066930861.db2.gz YJMOOSWVGVYVBC-UHFFFAOYSA-N 0 0 483.642 4.725 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)cc1[N+](=O)[O-] ZINC001457883441 1066935586 /nfs/dbraw/zinc/93/55/86/1066935586.db2.gz BDYAILBWKNTYDM-HXUWFJFHSA-N 0 0 450.944 4.703 20 5 JJBDRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001457891891 1066937250 /nfs/dbraw/zinc/93/72/50/1066937250.db2.gz ZUYRYZNWKLWDQT-UHFFFAOYSA-N 0 0 457.220 4.619 20 5 JJBDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001457894635 1066938042 /nfs/dbraw/zinc/93/80/42/1066938042.db2.gz QULWGNSIMQVAIQ-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001457898154 1066938288 /nfs/dbraw/zinc/93/82/88/1066938288.db2.gz UIUYKOPNPCMPHX-UHFFFAOYSA-N 0 0 454.849 4.583 20 5 JJBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001448552331 1066938747 /nfs/dbraw/zinc/93/87/47/1066938747.db2.gz PYBUMDUKPOWNRX-NRFANRHFSA-N 0 0 454.845 4.700 20 5 JJBDRN Nc1c(Br)cc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC001448581036 1066940187 /nfs/dbraw/zinc/94/01/87/1066940187.db2.gz ZUMWPCQBXHTRKV-MJHDQNEOSA-N 0 0 458.234 4.634 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001457926700 1066942457 /nfs/dbraw/zinc/94/24/57/1066942457.db2.gz DXAODWQGOQWMBA-DEOSSOPVSA-N 0 0 457.958 4.608 20 5 JJBDRN C[C@H](Oc1ccc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)cc1)c1ccccc1 ZINC001448719397 1066953180 /nfs/dbraw/zinc/95/31/80/1066953180.db2.gz ASIRSZQUIRCJRO-KRWDZBQOSA-N 0 0 457.490 4.520 20 5 JJBDRN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001457989678 1066953193 /nfs/dbraw/zinc/95/31/93/1066953193.db2.gz BOADKRWZBLQASE-KRWDZBQOSA-N 0 0 450.516 4.998 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC001448734091 1066954893 /nfs/dbraw/zinc/95/48/93/1066954893.db2.gz IJZKEKHAGYZSJC-HTLNXZAHSA-N 0 0 457.615 4.869 20 5 JJBDRN COc1ccc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001458062596 1066964900 /nfs/dbraw/zinc/96/49/00/1066964900.db2.gz RSAHSIJTZCBGRJ-UHFFFAOYSA-N 0 0 459.446 4.540 20 5 JJBDRN O=[N+]([O-])c1cnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Br)c1 ZINC001458064401 1066965262 /nfs/dbraw/zinc/96/52/62/1066965262.db2.gz YPPAOAIYFNMKMI-UHFFFAOYSA-N 0 0 453.340 4.664 20 5 JJBDRN CSc1cccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC001448895555 1066967947 /nfs/dbraw/zinc/96/79/47/1066967947.db2.gz QJGMULOBCLHIAE-HNNXBMFYSA-N 0 0 450.358 4.796 20 5 JJBDRN Cc1c(Br)c(Sc2nnc(COc3ccc(Cl)cc3)o2)ncc1[N+](=O)[O-] ZINC001458078585 1066968756 /nfs/dbraw/zinc/96/87/56/1066968756.db2.gz JFIOQZKFTFJOHV-UHFFFAOYSA-N 0 0 457.693 4.827 20 5 JJBDRN Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1Oc1ncccc1Br ZINC001448972164 1066974530 /nfs/dbraw/zinc/97/45/30/1066974530.db2.gz TZBOIZHRZQQMCQ-GOSISDBHSA-N 0 0 458.268 4.525 20 5 JJBDRN CC[C@@H](NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(OC)OC ZINC001449013321 1066977336 /nfs/dbraw/zinc/97/73/36/1066977336.db2.gz MQWZALBNCLOYGU-IYICPGQYSA-N 0 0 455.536 4.649 20 5 JJBDRN CS(=O)(=O)c1ccc(N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC001458113820 1066979757 /nfs/dbraw/zinc/97/97/57/1066979757.db2.gz BNTKZCARJZBEFS-UHFFFAOYSA-N 0 0 456.486 4.866 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3F)s2)CC1 ZINC001449113623 1066983387 /nfs/dbraw/zinc/98/33/87/1066983387.db2.gz CMIBVLSISGPJSG-UHFFFAOYSA-N 0 0 450.492 4.557 20 5 JJBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001546011663 1066984680 /nfs/dbraw/zinc/98/46/80/1066984680.db2.gz OGVUUHAOOJITSR-HSZRJFAPSA-N 0 0 453.901 4.935 20 5 JJBDRN COC(=O)Cc1ccc(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC001458142891 1066986681 /nfs/dbraw/zinc/98/66/81/1066986681.db2.gz IAMVRVOADWCDJE-UHFFFAOYSA-N 0 0 459.502 4.576 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC001449175929 1066987583 /nfs/dbraw/zinc/98/75/83/1066987583.db2.gz JSTACOSQSJBDRH-UHFFFAOYSA-N 0 0 452.736 4.672 20 5 JJBDRN O=[N+]([O-])c1cc(CO)c(N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1F ZINC001458150809 1066989006 /nfs/dbraw/zinc/98/90/06/1066989006.db2.gz LARAMDSDXPPOPY-XMMPIXPASA-N 0 0 455.917 4.791 20 5 JJBDRN Cc1cc(I)cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC001458158216 1066992087 /nfs/dbraw/zinc/99/20/87/1066992087.db2.gz ZZNZCSCXHCHJJI-UHFFFAOYSA-N 0 0 450.276 4.621 20 5 JJBDRN CC1(C)CN([C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC001458166583 1066994013 /nfs/dbraw/zinc/99/40/13/1066994013.db2.gz RYFLEBUANFSTTF-KRWDZBQOSA-N 0 0 458.868 4.926 20 5 JJBDRN CNS(=O)(=O)c1ccc(Nc2ccc(Oc3ccnc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC001458175627 1066997056 /nfs/dbraw/zinc/99/70/56/1066997056.db2.gz NMIKTQPVXDHKFG-UHFFFAOYSA-N 0 0 450.476 4.587 20 5 JJBDRN CCOC(=O)c1ccnc(NCCCCSc2ccccc2Br)c1[N+](=O)[O-] ZINC001458189986 1067000883 /nfs/dbraw/zinc/00/08/83/1067000883.db2.gz NLLFSFXXMQISNZ-UHFFFAOYSA-N 0 0 454.346 4.913 20 5 JJBDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001458192432 1067001111 /nfs/dbraw/zinc/00/11/11/1067001111.db2.gz BLVUCKJVQHHJCX-FQEVSTJZSA-N 0 0 450.470 4.720 20 5 JJBDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001458195927 1067001592 /nfs/dbraw/zinc/00/15/92/1067001592.db2.gz DUXULOBWJHAADD-UHFFFAOYSA-N 0 0 459.405 4.535 20 5 JJBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCCN1c1ccccc1Cl ZINC001458201920 1067002187 /nfs/dbraw/zinc/00/21/87/1067002187.db2.gz WPIYFCORKCDPDD-SFHVURJKSA-N 0 0 452.898 4.830 20 5 JJBDRN O=C(Nc1nc(Cc2ccccc2Br)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001458230109 1067008094 /nfs/dbraw/zinc/00/80/94/1067008094.db2.gz SGGKFPVPNRECBD-UHFFFAOYSA-N 0 0 458.297 4.533 20 5 JJBDRN C[C@H](Nc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001458230451 1067008140 /nfs/dbraw/zinc/00/81/40/1067008140.db2.gz KGFVAPNLARSHQG-ZDUSSCGKSA-N 0 0 458.446 4.633 20 5 JJBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)CC2 ZINC001458292791 1067023178 /nfs/dbraw/zinc/02/31/78/1067023178.db2.gz JQIVQFYJYNRLKO-ROFLEHJCSA-N 0 0 453.926 4.540 20 5 JJBDRN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001458318455 1067028953 /nfs/dbraw/zinc/02/89/53/1067028953.db2.gz HPWCEOYGKNWNLP-JOCHJYFZSA-N 0 0 453.539 4.908 20 5 JJBDRN Cc1ccc(N2C[C@H](C(=O)O[C@@H](c3cccnc3)c3ccccc3[N+](=O)[O-])CCC2=O)cc1C ZINC001458319883 1067029526 /nfs/dbraw/zinc/02/95/26/1067029526.db2.gz OEYPIRAZPDLFKD-NLFFAJNJSA-N 0 0 459.502 4.682 20 5 JJBDRN CN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2Br)CC1 ZINC001458324313 1067030995 /nfs/dbraw/zinc/03/09/95/1067030995.db2.gz VOXKJOOOGOPNQY-UHFFFAOYSA-N 0 0 459.266 4.872 20 5 JJBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001458329602 1067032084 /nfs/dbraw/zinc/03/20/84/1067032084.db2.gz KJPMLMPLLDUURK-KRWDZBQOSA-N 0 0 457.321 4.853 20 5 JJBDRN NS(=O)(=O)c1cccc(Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1[N+](=O)[O-] ZINC001458335313 1067033643 /nfs/dbraw/zinc/03/36/43/1067033643.db2.gz TUSYRQABFULWOQ-UHFFFAOYSA-N 0 0 453.398 4.797 20 5 JJBDRN Cc1c(Br)c(N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001458339829 1067035096 /nfs/dbraw/zinc/03/50/96/1067035096.db2.gz OIFHVUOTMBCOES-NSHDSACASA-N 0 0 454.630 4.878 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001458343064 1067036246 /nfs/dbraw/zinc/03/62/46/1067036246.db2.gz FXZNFAJKJGMBOU-INIZCTEOSA-N 0 0 454.335 4.549 20 5 JJBDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001458345205 1067036893 /nfs/dbraw/zinc/03/68/93/1067036893.db2.gz ZLDDBWOCQUODJR-UHFFFAOYSA-N 0 0 451.285 4.566 20 5 JJBDRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001458347847 1067038262 /nfs/dbraw/zinc/03/82/62/1067038262.db2.gz CTCGHDVWVBOYOQ-UHFFFAOYSA-N 0 0 451.335 4.751 20 5 JJBDRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001458356690 1067041284 /nfs/dbraw/zinc/04/12/84/1067041284.db2.gz IHAMUYXFTYARGT-UHFFFAOYSA-N 0 0 451.335 4.751 20 5 JJBDRN Cc1ccc([C@H]2CCN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])C2)c(C)c1 ZINC001458369963 1067044142 /nfs/dbraw/zinc/04/41/42/1067044142.db2.gz QWZNMKILSMMZEL-FQEVSTJZSA-N 0 0 457.596 4.770 20 5 JJBDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC001458372358 1067045125 /nfs/dbraw/zinc/04/51/25/1067045125.db2.gz YEJYOKMAYRULED-HTQZYQBOSA-N 0 0 451.858 4.756 20 5 JJBDRN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC001458382519 1067046883 /nfs/dbraw/zinc/04/68/83/1067046883.db2.gz KYQVUEAVGSTJOH-LLVKDONJSA-N 0 0 451.214 4.778 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(N2CCC(F)(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC001458395508 1067050275 /nfs/dbraw/zinc/05/02/75/1067050275.db2.gz NRMVSELULYJSSQ-UHFFFAOYSA-N 0 0 456.905 4.764 20 5 JJBDRN O=C(NC/C=C\c1ccc(Br)cc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001450113557 1067050516 /nfs/dbraw/zinc/05/05/16/1067050516.db2.gz SPZLRMMOWRGTFQ-UPHRSURJSA-N 0 0 458.081 4.702 20 5 JJBDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001458399905 1067052264 /nfs/dbraw/zinc/05/22/64/1067052264.db2.gz VKJVOOUYKXZQOL-UHFFFAOYSA-N 0 0 457.328 4.747 20 5 JJBDRN COC(=O)CCSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC001458422288 1067057159 /nfs/dbraw/zinc/05/71/59/1067057159.db2.gz SCARVFVSWOBQAF-UHFFFAOYSA-N 0 0 457.552 4.739 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1c1ccccc1F ZINC001458433453 1067059253 /nfs/dbraw/zinc/05/92/53/1067059253.db2.gz YUHKWTTXGYNZJY-MAUKXSAKSA-N 0 0 458.515 4.841 20 5 JJBDRN CN(C[C@H](O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001458434199 1067059500 /nfs/dbraw/zinc/05/95/00/1067059500.db2.gz LGLQHLYCMFWDPB-NRFANRHFSA-N 0 0 455.308 4.758 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001450260896 1067065706 /nfs/dbraw/zinc/06/57/06/1067065706.db2.gz UPPOODZYRNOODS-OALUTQOASA-N 0 0 459.587 4.758 20 5 JJBDRN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267602 1067066972 /nfs/dbraw/zinc/06/69/72/1067066972.db2.gz FZAPCCFRQFLOEX-GFCCVEGCSA-N 0 0 456.852 4.756 20 5 JJBDRN CN(C)c1cnn(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)CC2)c1 ZINC001450271566 1067067446 /nfs/dbraw/zinc/06/74/46/1067067446.db2.gz DALFHPKVNGPRHD-UHFFFAOYSA-N 0 0 457.600 4.617 20 5 JJBDRN C[C@@H]1CCC[C@@]1(O)CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001450310542 1067070612 /nfs/dbraw/zinc/07/06/12/1067070612.db2.gz OGNLCNANTRANCD-CKQIWYGCSA-N 0 0 451.548 4.803 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001458473202 1067071109 /nfs/dbraw/zinc/07/11/09/1067071109.db2.gz IXEVYFTTXQABGT-UHFFFAOYSA-N 0 0 451.548 4.681 20 5 JJBDRN COc1c(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC001458475646 1067071380 /nfs/dbraw/zinc/07/13/80/1067071380.db2.gz IDHCGWDVUYSSOI-UHFFFAOYSA-N 0 0 452.414 4.712 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001458491805 1067073867 /nfs/dbraw/zinc/07/38/67/1067073867.db2.gz RERRLRUXULOYDK-ZFWWWQNUSA-N 0 0 454.449 4.673 20 5 JJBDRN COc1ccc(F)c(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1 ZINC001458497641 1067075071 /nfs/dbraw/zinc/07/50/71/1067075071.db2.gz BOGUJFGMFLMLNZ-UHFFFAOYSA-N 0 0 459.499 4.772 20 5 JJBDRN O=C(CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1cc(Cl)cc(Cl)c1 ZINC001450420375 1067079646 /nfs/dbraw/zinc/07/96/46/1067079646.db2.gz YSTCFDFRZIBDEJ-UHFFFAOYSA-N 0 0 454.313 4.747 20 5 JJBDRN O=C(Nc1cccc(C(=O)NCc2ccccc2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458530127 1067082191 /nfs/dbraw/zinc/08/21/91/1067082191.db2.gz XVHKFBNSBLYBKO-UHFFFAOYSA-N 0 0 458.499 4.901 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C3CCC3)[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458546835 1067085672 /nfs/dbraw/zinc/08/56/72/1067085672.db2.gz JCHOQMTTZBOOOE-MBSDFSHPSA-N 0 0 459.568 4.630 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(NC[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC001458550303 1067086589 /nfs/dbraw/zinc/08/65/89/1067086589.db2.gz YTEJLJIFXBHIRQ-UWUNEBHHSA-N 0 0 454.527 4.871 20 5 JJBDRN C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001450542163 1067088314 /nfs/dbraw/zinc/08/83/14/1067088314.db2.gz FINGWQQXLNZJOG-JTQLQIEISA-N 0 0 452.310 4.854 20 5 JJBDRN Cc1cc(Cl)c(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC001458569607 1067089641 /nfs/dbraw/zinc/08/96/41/1067089641.db2.gz YZEGIKCSRPCEST-UHFFFAOYSA-N 0 0 452.216 4.823 20 5 JJBDRN CCC(O)(CC)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(Br)cs1 ZINC001546024471 1067092054 /nfs/dbraw/zinc/09/20/54/1067092054.db2.gz GOKKVFCYDUQICU-UHFFFAOYSA-N 0 0 494.415 4.865 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC001458603018 1067093131 /nfs/dbraw/zinc/09/31/31/1067093131.db2.gz DSMVTJQOXMMLSL-FQEVSTJZSA-N 0 0 454.365 4.975 20 5 JJBDRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2nn(C)cc2[N+](=O)[O-])CC(C)(C)CC3)cc1 ZINC001458621266 1067097322 /nfs/dbraw/zinc/09/73/22/1067097322.db2.gz CCUFXNZJMJQIAC-UHFFFAOYSA-N 0 0 452.536 4.696 20 5 JJBDRN COC[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccccc1 ZINC001458661946 1067103021 /nfs/dbraw/zinc/10/30/21/1067103021.db2.gz AKGGJOMHCISVQZ-NRFANRHFSA-N 0 0 450.582 4.639 20 5 JJBDRN COC[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccccc1 ZINC001458661947 1067103025 /nfs/dbraw/zinc/10/30/25/1067103025.db2.gz AKGGJOMHCISVQZ-OAQYLSRUSA-N 0 0 450.582 4.639 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NC[C@H]3C[C@@H]3Cc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001458698507 1067111386 /nfs/dbraw/zinc/11/13/86/1067111386.db2.gz JPKIPOSXLJGFBU-PXMFUHLKSA-N 0 0 457.596 4.743 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(OCc2nc(C3CCCCC3)cs2)c([N+](=O)[O-])c1 ZINC001458732193 1067123595 /nfs/dbraw/zinc/12/35/95/1067123595.db2.gz LYBRBFFLHAAJNY-UHFFFAOYSA-N 0 0 453.586 4.709 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC001458772572 1067138995 /nfs/dbraw/zinc/13/89/95/1067138995.db2.gz SQNPQYAMAAKPIW-UHFFFAOYSA-N 0 0 458.474 4.782 20 5 JJBDRN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[C@@H]1O ZINC001451198211 1067153389 /nfs/dbraw/zinc/15/33/89/1067153389.db2.gz PHUXHOOAVGXBGZ-QUCCMNQESA-N 0 0 456.545 4.811 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001458820251 1067155533 /nfs/dbraw/zinc/15/55/33/1067155533.db2.gz MRZZLKCZCWSSSL-NRFANRHFSA-N 0 0 454.914 4.573 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC001451340498 1067160547 /nfs/dbraw/zinc/16/05/47/1067160547.db2.gz MZVKKUAQWUDFDN-UHFFFAOYSA-N 0 0 451.857 4.580 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001451387960 1067162978 /nfs/dbraw/zinc/16/29/78/1067162978.db2.gz JCXFXXHGWAFRTN-PKOBYXMFSA-N 0 0 477.920 4.829 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001451411763 1067168247 /nfs/dbraw/zinc/16/82/47/1067168247.db2.gz NHJKURNQKSFHFB-QFBILLFUSA-N 0 0 477.920 4.829 20 5 JJBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCCc1cc(Cl)cc(Cl)c1 ZINC001458907992 1067192436 /nfs/dbraw/zinc/19/24/36/1067192436.db2.gz CRYVCUVUQGJPFB-UHFFFAOYSA-N 0 0 450.278 4.886 20 5 JJBDRN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC001458907435 1067192538 /nfs/dbraw/zinc/19/25/38/1067192538.db2.gz AHSATYOLHLLXHV-UHFFFAOYSA-N 0 0 456.838 4.845 20 5 JJBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC001458957417 1067208487 /nfs/dbraw/zinc/20/84/87/1067208487.db2.gz ZYFKJJOSWJFUTC-CYBMUJFWSA-N 0 0 450.476 4.926 20 5 JJBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001458965757 1067211987 /nfs/dbraw/zinc/21/19/87/1067211987.db2.gz VUGKCBMJEFBYBF-FQEVSTJZSA-N 0 0 451.306 4.740 20 5 JJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001452265240 1067217367 /nfs/dbraw/zinc/21/73/67/1067217367.db2.gz DPVLPKBHMBYHNL-ORYQWCPZSA-N 0 0 456.564 4.659 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)C(F)(F)c1cccc(Cl)c1 ZINC001458983523 1067218603 /nfs/dbraw/zinc/21/86/03/1067218603.db2.gz XJFOHDRZYLIWDF-UHFFFAOYSA-N 0 0 452.582 4.583 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc(OC2CCCC2)cc1 ZINC001458995228 1067223483 /nfs/dbraw/zinc/22/34/83/1067223483.db2.gz YRZNZFPPQFSDFC-UHFFFAOYSA-N 0 0 452.248 4.773 20 5 JJBDRN Cc1cccc(OCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)c1[N+](=O)[O-] ZINC001458998114 1067225345 /nfs/dbraw/zinc/22/53/45/1067225345.db2.gz JYUDTFKGZHRMEJ-UHFFFAOYSA-N 0 0 458.268 4.871 20 5 JJBDRN Cc1cc(Br)c(NC(=O)COc2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC001459001405 1067226121 /nfs/dbraw/zinc/22/61/21/1067226121.db2.gz PINFSLHAVLQMAU-UHFFFAOYSA-N 0 0 458.106 4.754 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2cc(F)cc(F)c2Br)cc1[N+](=O)[O-] ZINC001459025053 1067231378 /nfs/dbraw/zinc/23/13/78/1067231378.db2.gz RBUJTAKOPBEGKD-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN COc1c(C)cccc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001452624286 1067238345 /nfs/dbraw/zinc/23/83/45/1067238345.db2.gz FTJRTRPIAGOEHY-UHFFFAOYSA-N 0 0 453.882 4.748 20 5 JJBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001459056808 1067240838 /nfs/dbraw/zinc/24/08/38/1067240838.db2.gz AIGODHHSYPOZJI-UHFFFAOYSA-N 0 0 459.518 4.664 20 5 JJBDRN COC(=O)c1ccc(-c2nc(COc3cc(F)c(Br)cc3[N+](=O)[O-])co2)cc1 ZINC001459060435 1067242018 /nfs/dbraw/zinc/24/20/18/1067242018.db2.gz LCZUGPMLUYQKEG-UHFFFAOYSA-N 0 0 451.204 4.517 20 5 JJBDRN CC(C)Oc1ccc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c(Cl)c1 ZINC001459073440 1067245437 /nfs/dbraw/zinc/24/54/37/1067245437.db2.gz HTDKNCMYYLSCHM-UHFFFAOYSA-N 0 0 456.724 4.873 20 5 JJBDRN COc1cccc(Sc2ccc(NC(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)nc2)c1 ZINC001452765387 1067249508 /nfs/dbraw/zinc/24/95/08/1067249508.db2.gz HGOIQLKMWADTAC-UHFFFAOYSA-N 0 0 453.476 4.563 20 5 JJBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001459119673 1067254958 /nfs/dbraw/zinc/25/49/58/1067254958.db2.gz IGWFOKVMCBJYML-OAQYLSRUSA-N 0 0 450.516 4.574 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001453033243 1067275061 /nfs/dbraw/zinc/27/50/61/1067275061.db2.gz XDDLJJZMANLJDS-GFCCVEGCSA-N 0 0 458.729 4.671 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001459317875 1067293051 /nfs/dbraw/zinc/29/30/51/1067293051.db2.gz BFTJBLNCSKRWAC-PBHICJAKSA-N 0 0 452.429 4.985 20 5 JJBDRN CC(C)(C)c1csc(CC2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)CC2)n1 ZINC001453281097 1067293651 /nfs/dbraw/zinc/29/36/51/1067293651.db2.gz OYHZLGPSOMGVEE-UHFFFAOYSA-N 0 0 459.568 4.605 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC001453325399 1067297795 /nfs/dbraw/zinc/29/77/95/1067297795.db2.gz MVLVSADWOMECIZ-INIZCTEOSA-N 0 0 451.951 4.748 20 5 JJBDRN O=C(/C=C/c1ccccc1)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001459374468 1067306828 /nfs/dbraw/zinc/30/68/28/1067306828.db2.gz OEANIYFFWZXECB-SDNWHVSQSA-N 0 0 453.564 4.579 20 5 JJBDRN CCOc1ccccc1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC001459417486 1067319436 /nfs/dbraw/zinc/31/94/36/1067319436.db2.gz WHJIJZZYQFEDHM-CQSZACIVSA-N 0 0 452.338 4.647 20 5 JJBDRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001459426027 1067322643 /nfs/dbraw/zinc/32/26/43/1067322643.db2.gz NSUHXQIYYOGYFJ-HXUWFJFHSA-N 0 0 459.930 4.991 20 5 JJBDRN CC1(C)CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001459513147 1067341900 /nfs/dbraw/zinc/34/19/00/1067341900.db2.gz XVFWSACUIKETTO-WIEQDCTASA-N 0 0 455.477 4.612 20 5 JJBDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001459551628 1067349493 /nfs/dbraw/zinc/34/94/93/1067349493.db2.gz UZMXQOWZLCSSLD-UHFFFAOYSA-N 0 0 458.729 4.642 20 5 JJBDRN COc1ccc(CC(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001459559111 1067351431 /nfs/dbraw/zinc/35/14/31/1067351431.db2.gz NWKDADBLKSUDHX-UHFFFAOYSA-N 0 0 450.882 4.836 20 5 JJBDRN C[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001459566841 1067353733 /nfs/dbraw/zinc/35/37/33/1067353733.db2.gz UMTIBLJEEHDDTG-NXOUGTEYSA-N 0 0 457.836 4.580 20 5 JJBDRN CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1[N+](=O)[O-] ZINC001459587153 1067357832 /nfs/dbraw/zinc/35/78/32/1067357832.db2.gz UWZLDCIFYSQMBY-UHFFFAOYSA-N 0 0 452.492 4.562 20 5 JJBDRN Cc1cc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)ccc1Br ZINC001459617499 1067365780 /nfs/dbraw/zinc/36/57/80/1067365780.db2.gz IBLYPCLIQOYNIL-FQEVSTJZSA-N 0 0 455.312 4.829 20 5 JJBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001459654696 1067372633 /nfs/dbraw/zinc/37/26/33/1067372633.db2.gz NNIRNZZYSJEJEY-UHFFFAOYSA-N 0 0 452.338 4.830 20 5 JJBDRN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658308 1067373265 /nfs/dbraw/zinc/37/32/65/1067373265.db2.gz WKUFSVYGFYAZOC-ZWKOTPCHSA-N 0 0 450.576 4.972 20 5 JJBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658253 1067373351 /nfs/dbraw/zinc/37/33/51/1067373351.db2.gz WKUFSVYGFYAZOC-QZTJIDSGSA-N 0 0 450.576 4.972 20 5 JJBDRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001459698356 1067387406 /nfs/dbraw/zinc/38/74/06/1067387406.db2.gz ZCXHBHCQKKIRRU-ALOPSCKCSA-N 0 0 454.365 4.768 20 5 JJBDRN Cc1c(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC001459712539 1067392057 /nfs/dbraw/zinc/39/20/57/1067392057.db2.gz IBMTWSHJIKMBGE-MLGOLLRUSA-N 0 0 459.218 4.786 20 5 JJBDRN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC001459742894 1067402538 /nfs/dbraw/zinc/40/25/38/1067402538.db2.gz QWDCAISZMPQJCJ-NRFANRHFSA-N 0 0 457.914 4.732 20 5 JJBDRN CC(C)c1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cnn1-c1ccc(Cl)cc1 ZINC001459758720 1067410398 /nfs/dbraw/zinc/41/03/98/1067410398.db2.gz DEVIYNGIRYLLTN-UHFFFAOYSA-N 0 0 450.886 4.995 20 5 JJBDRN Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001459776323 1067417140 /nfs/dbraw/zinc/41/71/40/1067417140.db2.gz UJVBNQWGVKDVRW-JOCHJYFZSA-N 0 0 454.914 4.737 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC001459814623 1067435374 /nfs/dbraw/zinc/43/53/74/1067435374.db2.gz RKMYZNSUQVSMDU-UHFFFAOYSA-N 0 0 456.458 4.795 20 5 JJBDRN O=C(CNC1(c2ccc(F)cc2F)CCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459817825 1067437013 /nfs/dbraw/zinc/43/70/13/1067437013.db2.gz NXNNRWHELCGKKA-UHFFFAOYSA-N 0 0 458.490 4.994 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1[N+](=O)[O-] ZINC001459829182 1067442532 /nfs/dbraw/zinc/44/25/32/1067442532.db2.gz TUKHPGCWYQKXSL-CYBMUJFWSA-N 0 0 455.317 4.506 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1SC ZINC001459832705 1067444389 /nfs/dbraw/zinc/44/43/89/1067444389.db2.gz JGUZHJGSKZUFOI-IINYFYTJSA-N 0 0 455.305 4.513 20 5 JJBDRN O=[N+]([O-])c1cccc2c1CCN2CCCOc1c(Br)cccc1Br ZINC001459886836 1067473584 /nfs/dbraw/zinc/47/35/84/1067473584.db2.gz PCABHJAFQURCIG-UHFFFAOYSA-N 0 0 456.134 4.951 20 5 JJBDRN O=C(CN1CCc2c1cccc2[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001459888346 1067474088 /nfs/dbraw/zinc/47/40/88/1067474088.db2.gz FWWBABNDBOHVEY-UHFFFAOYSA-N 0 0 450.882 4.502 20 5 JJBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909696 1067484630 /nfs/dbraw/zinc/48/46/30/1067484630.db2.gz YJHRWHWTGUNTHQ-HIFRSBDPSA-N 0 0 456.572 4.656 20 5 JJBDRN O=C(CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459925319 1067494307 /nfs/dbraw/zinc/49/43/07/1067494307.db2.gz SMURDTXQABYEAV-OAHLLOKOSA-N 0 0 453.751 4.681 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)c1 ZINC001459934056 1067498002 /nfs/dbraw/zinc/49/80/02/1067498002.db2.gz HFLWRNNLVSBAJL-UHFFFAOYSA-N 0 0 456.427 4.986 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(-c2nc3ccccc3s2)n1 ZINC001459944052 1067501467 /nfs/dbraw/zinc/50/14/67/1067501467.db2.gz SHFBTKPHHURECS-UHFFFAOYSA-N 0 0 458.297 4.713 20 5 JJBDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC001459964926 1067509495 /nfs/dbraw/zinc/50/94/95/1067509495.db2.gz UIXPQTCSNUQPPW-CJNGLKHVSA-N 0 0 450.438 4.827 20 5 JJBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460014096 1067527892 /nfs/dbraw/zinc/52/78/92/1067527892.db2.gz BAMNXZKVZRPSSX-FCHUYYIVSA-N 0 0 455.555 4.875 20 5 JJBDRN CCOc1cc(N2CCN(Cc3ccc(Cl)cc3Br)CC2)ccc1[N+](=O)[O-] ZINC001460048503 1067538717 /nfs/dbraw/zinc/53/87/17/1067538717.db2.gz ZUBHHVKJDABCGA-UHFFFAOYSA-N 0 0 454.752 4.732 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC001460096268 1067553884 /nfs/dbraw/zinc/55/38/84/1067553884.db2.gz FAMZCYZYQVTPQC-UHFFFAOYSA-N 0 0 454.324 4.890 20 5 JJBDRN O=C(Nc1cccc2c(Br)ccnc12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001460115928 1067558339 /nfs/dbraw/zinc/55/83/39/1067558339.db2.gz MBTDZPPCNMCRAA-UHFFFAOYSA-N 0 0 455.312 4.761 20 5 JJBDRN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001460125294 1067560050 /nfs/dbraw/zinc/56/00/50/1067560050.db2.gz ZMXXCAKFKIKMGE-UHFFFAOYSA-N 0 0 451.445 4.753 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccc3c(c2)oc2ccccc23)cc1OC ZINC001460177582 1067571914 /nfs/dbraw/zinc/57/19/14/1067571914.db2.gz NKGYZYUOXYBIDY-UHFFFAOYSA-N 0 0 450.447 4.805 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC001460193409 1067575928 /nfs/dbraw/zinc/57/59/28/1067575928.db2.gz CYQYLTOGNUMWAF-HXUWFJFHSA-N 0 0 454.365 4.580 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC001460193403 1067576144 /nfs/dbraw/zinc/57/61/44/1067576144.db2.gz CYQYLTOGNUMWAF-FQEVSTJZSA-N 0 0 454.365 4.580 20 5 JJBDRN O=C(NC1CCCCC1)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001460198926 1067577203 /nfs/dbraw/zinc/57/72/03/1067577203.db2.gz QWKSNXCKGKHBGG-GOSISDBHSA-N 0 0 454.365 4.771 20 5 JJBDRN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460240417 1067589269 /nfs/dbraw/zinc/58/92/69/1067589269.db2.gz NBIMDGMFKVQZNQ-ZBFHGGJFSA-N 0 0 452.429 4.985 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC001460294429 1067600628 /nfs/dbraw/zinc/60/06/28/1067600628.db2.gz DCZVFWDAHJRKDF-MRXNPFEDSA-N 0 0 458.246 4.685 20 5 JJBDRN O=[N+]([O-])c1ccccc1CN(Cc1nc2cc(Br)ccc2[nH]1)[C@H]1CC[C@H](O)CC1 ZINC001460302272 1067602320 /nfs/dbraw/zinc/60/23/20/1067602320.db2.gz GMASMMFIPFYPSJ-QAQDUYKDSA-N 0 0 459.344 4.539 20 5 JJBDRN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCS[C@H](c2ccccc2)C1 ZINC001460357906 1067616822 /nfs/dbraw/zinc/61/68/22/1067616822.db2.gz DQDJZNSTYNWJHB-QRWLVFNGSA-N 0 0 454.577 4.835 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1SCc1ccccc1 ZINC001460427986 1067632828 /nfs/dbraw/zinc/63/28/28/1067632828.db2.gz RFHQPOUXSOHQJC-UHFFFAOYSA-N 0 0 450.516 4.750 20 5 JJBDRN O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001460465802 1067639008 /nfs/dbraw/zinc/63/90/08/1067639008.db2.gz YKQKXRGLPHMIJQ-AVRDEDQJSA-N 0 0 456.857 4.568 20 5 JJBDRN COc1cc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001460510810 1067646678 /nfs/dbraw/zinc/64/66/78/1067646678.db2.gz ARXOJRXZOXUEAW-ZDUSSCGKSA-N 0 0 455.483 4.584 20 5 JJBDRN COc1cc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001460510774 1067646756 /nfs/dbraw/zinc/64/67/56/1067646756.db2.gz ARXOJRXZOXUEAW-CYBMUJFWSA-N 0 0 455.483 4.584 20 5 JJBDRN O=C(CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC001460524148 1067649142 /nfs/dbraw/zinc/64/91/42/1067649142.db2.gz JBTJTYGAQUQYDZ-UHFFFAOYSA-N 0 0 451.093 4.967 20 5 JJBDRN Cc1csc([C@H](NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC001460530457 1067651809 /nfs/dbraw/zinc/65/18/09/1067651809.db2.gz MOFMACGPXGPIAR-PRXAMGSTSA-N 0 0 456.490 4.875 20 5 JJBDRN O=C(Cc1cccc(F)c1)c1cc(Cl)cnc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001460574198 1067659178 /nfs/dbraw/zinc/65/91/78/1067659178.db2.gz CEUHKJKCJKFZOB-OALUTQOASA-N 0 0 453.857 4.950 20 5 JJBDRN CC(=O)N[C@@H](CC(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 ZINC001460597779 1067665571 /nfs/dbraw/zinc/66/55/71/1067665571.db2.gz NZIRJSDBSMBNJX-IBGZPJMESA-N 0 0 459.911 4.682 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Br)cc1F ZINC001460609650 1067670850 /nfs/dbraw/zinc/67/08/50/1067670850.db2.gz QJBOGRUYFMZHAQ-ZDUSSCGKSA-N 0 0 450.308 4.978 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669341 1067694575 /nfs/dbraw/zinc/69/45/75/1067694575.db2.gz WVZYOXKQLJYGEN-YJBOKZPZSA-N 0 0 454.365 4.579 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001460691750 1067702968 /nfs/dbraw/zinc/70/29/68/1067702968.db2.gz NQHJAEPSBBBLIW-QFIPXVFZSA-N 0 0 458.873 4.840 20 5 JJBDRN O=C(CN1CCCSC[C@H]1c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460709377 1067706166 /nfs/dbraw/zinc/70/61/66/1067706166.db2.gz MRPCUTKXMSTLNY-FQEVSTJZSA-N 0 0 454.577 4.837 20 5 JJBDRN C[C@H](c1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1)C(F)(F)F ZINC001460754014 1067716857 /nfs/dbraw/zinc/71/68/57/1067716857.db2.gz APBAVCACAZKTFG-DOMZBBRYSA-N 0 0 456.442 4.670 20 5 JJBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](CCC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001460774478 1067721055 /nfs/dbraw/zinc/72/10/55/1067721055.db2.gz WBCCQVZEDIOCDP-SFHVURJKSA-N 0 0 453.539 4.643 20 5 JJBDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460799853 1067726578 /nfs/dbraw/zinc/72/65/78/1067726578.db2.gz XFBGUEXHUDJAEO-UPCLLVRISA-N 0 0 459.518 4.563 20 5 JJBDRN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cc(F)cc(Br)c1F ZINC001460911058 1067746618 /nfs/dbraw/zinc/74/66/18/1067746618.db2.gz AGFWIWOKDNGWAH-CYBMUJFWSA-N 0 0 457.124 4.808 20 5 JJBDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001460917142 1067747712 /nfs/dbraw/zinc/74/77/12/1067747712.db2.gz VEDQGQSFLBDYLG-ZDUSSCGKSA-N 0 0 457.124 4.808 20 5 JJBDRN CC(C)c1cccc2c1N(C(=O)c1cc([N+](=O)[O-])ccc1I)CCC2 ZINC001460946580 1067752021 /nfs/dbraw/zinc/75/20/21/1067752021.db2.gz LLNWAXDHPLPCEH-UHFFFAOYSA-N 0 0 450.276 4.916 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)cc(Br)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001461170299 1067792267 /nfs/dbraw/zinc/79/22/67/1067792267.db2.gz MHBWENNUXDTLNR-UHFFFAOYSA-N 0 0 456.121 4.625 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OCCC(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC001461225794 1067803906 /nfs/dbraw/zinc/80/39/06/1067803906.db2.gz VYCGSDVTKYOLPU-NRFANRHFSA-N 0 0 457.502 4.711 20 5 JJBDRN O=C(c1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)N1CCC[C@@H](CO)C1 ZINC001461312910 1067825973 /nfs/dbraw/zinc/82/59/73/1067825973.db2.gz JEBSVBXYABWYLN-QGZVFWFLSA-N 0 0 451.548 4.780 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001461452666 1067860426 /nfs/dbraw/zinc/86/04/26/1067860426.db2.gz VQNKOLUSNYRKOW-JTQLQIEISA-N 0 0 450.676 4.965 20 5 JJBDRN COC(=O)c1nc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl ZINC001461458133 1067861730 /nfs/dbraw/zinc/86/17/30/1067861730.db2.gz BIODWZOZRARBRR-UHFFFAOYSA-N 0 0 457.895 4.511 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)c2ccccc2)cc1 ZINC001461490637 1067873988 /nfs/dbraw/zinc/87/39/88/1067873988.db2.gz AIBFKRIKWGUUEO-VWLOTQADSA-N 0 0 456.502 4.676 20 5 JJBDRN CN(C)S(=O)(=O)c1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccc1F ZINC001461569001 1067890919 /nfs/dbraw/zinc/89/09/19/1067890919.db2.gz DIBVBIOUGFGXKF-UHFFFAOYSA-N 0 0 453.879 4.510 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N3C[C@@H](c4cccc(F)c4)OCC3(C)C)cc2[N+](=O)[O-])CC1 ZINC001461612283 1067901637 /nfs/dbraw/zinc/90/16/37/1067901637.db2.gz DJAQOVUMAIHHSE-QHCPKHFHSA-N 0 0 455.530 4.963 20 5 JJBDRN CN(CC(=O)N1CCCCc2cc(Cl)ccc21)c1cc(Br)ccc1[N+](=O)[O-] ZINC001461613830 1067902220 /nfs/dbraw/zinc/90/22/20/1067902220.db2.gz ZVOMGMRIGDJIJT-UHFFFAOYSA-N 0 0 452.736 4.816 20 5 JJBDRN COC(=O)c1c(Cl)ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1Cl ZINC001461640222 1067907696 /nfs/dbraw/zinc/90/76/96/1067907696.db2.gz VCGUBLKBOLJKGR-UHFFFAOYSA-N 0 0 459.307 4.569 20 5 JJBDRN O=C(Nc1cccc(Sc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001461669685 1067914753 /nfs/dbraw/zinc/91/47/53/1067914753.db2.gz NTHUOJNDXCVRFK-HNNXBMFYSA-N 0 0 451.479 4.877 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc(F)cc1 ZINC001461704988 1067922452 /nfs/dbraw/zinc/92/24/52/1067922452.db2.gz JHSCDJQGOXRDSS-KRWDZBQOSA-N 0 0 454.458 4.529 20 5 JJBDRN C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001461724572 1067925911 /nfs/dbraw/zinc/92/59/11/1067925911.db2.gz XMNOLJLEFHKQJI-OAQYLSRUSA-N 0 0 459.546 4.705 20 5 JJBDRN COc1cc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)c([N+](=O)[O-])cc1F ZINC001461772296 1067934191 /nfs/dbraw/zinc/93/41/91/1067934191.db2.gz YJXTZXZQQGKOQD-ZDUSSCGKSA-N 0 0 455.305 4.512 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc2cccnc2c1Br ZINC001461787760 1067937297 /nfs/dbraw/zinc/93/72/97/1067937297.db2.gz BEPCYRWNXXFWOA-SNVBAGLBSA-N 0 0 451.660 4.932 20 5 JJBDRN COC(=O)Cc1ccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC001461842544 1067945345 /nfs/dbraw/zinc/94/53/45/1067945345.db2.gz RGUQGCMEWVFDGF-UHFFFAOYSA-N 0 0 450.516 4.700 20 5 JJBDRN COc1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I ZINC001461893076 1067955901 /nfs/dbraw/zinc/95/59/01/1067955901.db2.gz BUVWCFQLSXZDTI-UHFFFAOYSA-N 0 0 455.229 4.642 20 5 JJBDRN CC(C)(C)OC(=O)NCC1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCCCC1 ZINC001461900286 1067957492 /nfs/dbraw/zinc/95/74/92/1067957492.db2.gz MFOBNWGFGBHCFZ-UHFFFAOYSA-N 0 0 454.527 4.614 20 5 JJBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001461920836 1067961385 /nfs/dbraw/zinc/96/13/85/1067961385.db2.gz NBMAHEGVOPDMEL-CWDSQJGSSA-N 0 0 457.958 4.572 20 5 JJBDRN O=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001461922351 1067961930 /nfs/dbraw/zinc/96/19/30/1067961930.db2.gz URNUDGHJYUSGJH-UHFFFAOYSA-N 0 0 455.352 4.637 20 5 JJBDRN Cc1nn(-c2cccc(C)c2)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001461973210 1067972555 /nfs/dbraw/zinc/97/25/55/1067972555.db2.gz ZHJDJGCDQJREFC-UHFFFAOYSA-N 0 0 459.472 4.738 20 5 JJBDRN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001461973950 1067972596 /nfs/dbraw/zinc/97/25/96/1067972596.db2.gz HSYWZBAPBCRTGA-UONOGXRCSA-N 0 0 452.157 4.816 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(OCc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC001461998534 1067977573 /nfs/dbraw/zinc/97/75/73/1067977573.db2.gz MNIVSIXMRGEHCD-XMMPIXPASA-N 0 0 459.502 4.726 20 5 JJBDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001462100572 1068002455 /nfs/dbraw/zinc/00/24/55/1068002455.db2.gz BFRWRBBUGYPRKI-UHFFFAOYSA-N 0 0 454.571 4.690 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001462106216 1068004197 /nfs/dbraw/zinc/00/41/97/1068004197.db2.gz TYYZIQQOQFPJJR-CRAIPNDOSA-N 0 0 458.356 4.976 20 5 JJBDRN COc1cc(CNc2ccc(C)c(C(=O)N(C)C(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001462155695 1068018036 /nfs/dbraw/zinc/01/80/36/1068018036.db2.gz KKXADUNWHKFSEI-UHFFFAOYSA-N 0 0 451.470 4.648 20 5 JJBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3c(F)ccc(C(F)(F)F)c3Br)CC2)n1 ZINC001462182032 1068023959 /nfs/dbraw/zinc/02/39/59/1068023959.db2.gz SKKQMPMONNIQQK-UHFFFAOYSA-N 0 0 451.218 4.549 20 5 JJBDRN CCOc1cc(N2CCN(Cc3cc(C)c(F)cc3Br)CC2)ccc1[N+](=O)[O-] ZINC001462187944 1068025285 /nfs/dbraw/zinc/02/52/85/1068025285.db2.gz SHQBOOFABAUILI-UHFFFAOYSA-N 0 0 452.324 4.526 20 5 JJBDRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001462252223 1068038558 /nfs/dbraw/zinc/03/85/58/1068038558.db2.gz LVEWQIULTPNIAN-UHFFFAOYSA-N 0 0 456.502 4.754 20 5 JJBDRN CC1(C)CC[C@H](NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)[C@@H](c2ccccc2)C1 ZINC001462375039 1068062374 /nfs/dbraw/zinc/06/23/74/1068062374.db2.gz ZWHSEHREIWNQQZ-MJGOQNOKSA-N 0 0 457.477 4.512 20 5 JJBDRN CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001462434674 1068073533 /nfs/dbraw/zinc/07/35/33/1068073533.db2.gz CSADXMYLYPVSAH-LJQANCHMSA-N 0 0 457.596 4.768 20 5 JJBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001462498131 1068085752 /nfs/dbraw/zinc/08/57/52/1068085752.db2.gz VOSBLVICNLJPNU-LSDHHAIUSA-N 0 0 454.118 4.540 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCn2cnc(C(F)(F)F)c2C1 ZINC001462512340 1068088551 /nfs/dbraw/zinc/08/85/51/1068088551.db2.gz WCYQEGAJSKCSDU-UHFFFAOYSA-N 0 0 454.474 4.748 20 5 JJBDRN CC(=O)c1c(C)cc(OC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cc1C ZINC001462525659 1068091754 /nfs/dbraw/zinc/09/17/54/1068091754.db2.gz BGWPRJFSQIISAD-DEOSSOPVSA-N 0 0 456.495 4.760 20 5 JJBDRN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001462577803 1068103271 /nfs/dbraw/zinc/10/32/71/1068103271.db2.gz AUAHYPDEISKSTR-IIBYNOLFSA-N 0 0 451.910 4.987 20 5 JJBDRN CC(C)(C)[C@@H]1CCC[C@](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)(C(F)(F)F)CC1 ZINC001462640622 1068121456 /nfs/dbraw/zinc/12/14/56/1068121456.db2.gz BAERWOAAZYLDMY-JLTOFOAXSA-N 0 0 453.465 4.833 20 5 JJBDRN Cc1ccc(N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462650679 1068124305 /nfs/dbraw/zinc/12/43/05/1068124305.db2.gz QUPYUNMVGALCQA-UWJYYQICSA-N 0 0 457.958 4.984 20 5 JJBDRN Cc1csc(C)c1S(=O)(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC001462698405 1068135250 /nfs/dbraw/zinc/13/52/50/1068135250.db2.gz WSDDMENJMUAIJP-UHFFFAOYSA-N 0 0 457.485 4.814 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC001462708331 1068138996 /nfs/dbraw/zinc/13/89/96/1068138996.db2.gz OBJQMNNIPPQOCC-NSHDSACASA-N 0 0 455.920 4.565 20 5 JJBDRN CCOc1ccc([C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cc1OCC ZINC001462756359 1068157012 /nfs/dbraw/zinc/15/70/12/1068157012.db2.gz VHSWMPWHAVFDRR-HXUWFJFHSA-N 0 0 456.948 4.721 20 5 JJBDRN CC(C)(C)c1ccccc1S(=O)(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001462770445 1068162481 /nfs/dbraw/zinc/16/24/81/1068162481.db2.gz CJMHGYLVHWOGAL-UHFFFAOYSA-N 0 0 454.504 4.912 20 5 JJBDRN COCCN(Cc1ccc(C)c(C)c1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462809303 1068172917 /nfs/dbraw/zinc/17/29/17/1068172917.db2.gz TVYHXKGBYQAQJP-UHFFFAOYSA-N 0 0 453.461 4.708 20 5 JJBDRN CCc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCCC2)cc1[N+](=O)[O-] ZINC001462857265 1068193295 /nfs/dbraw/zinc/19/32/95/1068193295.db2.gz CMRZCHMLPXXRKG-UHFFFAOYSA-N 0 0 453.358 4.668 20 5 JJBDRN Cc1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)c(F)cc1[N+](=O)[O-] ZINC001462863009 1068195243 /nfs/dbraw/zinc/19/52/43/1068195243.db2.gz MMBNQBIFBMEUBD-HXUWFJFHSA-N 0 0 452.866 4.903 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC001462874655 1068199050 /nfs/dbraw/zinc/19/90/50/1068199050.db2.gz IPXIBRDDSASAGC-OAQYLSRUSA-N 0 0 452.532 4.790 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC001462885617 1068202704 /nfs/dbraw/zinc/20/27/04/1068202704.db2.gz FUKLJRMRCGZCGG-UHFFFAOYSA-N 0 0 456.568 4.635 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCCc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC001462909784 1068211516 /nfs/dbraw/zinc/21/15/16/1068211516.db2.gz FLZNNHLQIFHZRN-UHFFFAOYSA-N 0 0 457.257 4.832 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2nc3cc(Cl)ccc3s2)c1Cl ZINC001462914799 1068213274 /nfs/dbraw/zinc/21/32/74/1068213274.db2.gz GFMFSZZQNDKQIL-UHFFFAOYSA-N 0 0 452.728 4.643 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(Cc2cc(Br)ccc2F)C(C)C)c1C ZINC001462937535 1068221559 /nfs/dbraw/zinc/22/15/59/1068221559.db2.gz WYZNOKCHLZUPET-UHFFFAOYSA-N 0 0 459.337 4.713 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)ccc1Br ZINC001462957553 1068229637 /nfs/dbraw/zinc/22/96/37/1068229637.db2.gz AISVHXFNABZNLN-SFHVURJKSA-N 0 0 457.321 4.706 20 5 JJBDRN Cc1cccc(COc2ccc([C@@H](C)NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001463003598 1068246260 /nfs/dbraw/zinc/24/62/60/1068246260.db2.gz APPMWQOQHOBIKR-LJQANCHMSA-N 0 0 454.548 4.705 20 5 JJBDRN Cc1cccc(COc2ccc([C@H](C)NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2)c1 ZINC001463007796 1068248166 /nfs/dbraw/zinc/24/81/66/1068248166.db2.gz KZCCWQLSDITQEJ-KRWDZBQOSA-N 0 0 458.511 4.969 20 5 JJBDRN CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccc(OC)cc1 ZINC001463038584 1068260302 /nfs/dbraw/zinc/26/03/02/1068260302.db2.gz GRBWSGUGVURBFN-QGZVFWFLSA-N 0 0 457.346 4.576 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463059974 1068269937 /nfs/dbraw/zinc/26/99/37/1068269937.db2.gz AARGBYFPGROGHC-RNODOKPDSA-N 0 0 457.449 4.523 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001463065532 1068273309 /nfs/dbraw/zinc/27/33/09/1068273309.db2.gz LPLJBWHVTZNMHF-ZUOKHONESA-N 0 0 457.449 4.523 20 5 JJBDRN Cc1ccc(COc2c(C)cc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C)cc1 ZINC001463085121 1068282022 /nfs/dbraw/zinc/28/20/22/1068282022.db2.gz JBLKEFQKYSUGMK-UHFFFAOYSA-N 0 0 454.548 4.920 20 5 JJBDRN C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463086141 1068282393 /nfs/dbraw/zinc/28/23/93/1068282393.db2.gz MDHPGKIWWJVEMO-SEHCQNQUSA-N 0 0 459.749 4.686 20 5 JJBDRN CN(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001463119195 1068293716 /nfs/dbraw/zinc/29/37/16/1068293716.db2.gz CQNLPCGVHWYDCM-UHFFFAOYSA-N 0 0 453.398 4.626 20 5 JJBDRN Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1C ZINC001463142051 1068300703 /nfs/dbraw/zinc/30/07/03/1068300703.db2.gz GEIUZXHVMBQJRI-INIZCTEOSA-N 0 0 457.321 4.639 20 5 JJBDRN COc1ccc2c(c1)CCC(S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)=C2 ZINC001463185150 1068313392 /nfs/dbraw/zinc/31/33/92/1068313392.db2.gz KOPDXXZBAIIRGB-UHFFFAOYSA-N 0 0 450.516 4.927 20 5 JJBDRN CSc1cccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2F)c1 ZINC001463224747 1068326610 /nfs/dbraw/zinc/32/66/10/1068326610.db2.gz YJXCMILDOHOQGY-HXUWFJFHSA-N 0 0 450.488 4.663 20 5 JJBDRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC001463245160 1068332810 /nfs/dbraw/zinc/33/28/10/1068332810.db2.gz BDXVIVFOTKNMEH-HSZRJFAPSA-N 0 0 453.564 4.969 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC001463248356 1068333728 /nfs/dbraw/zinc/33/37/28/1068333728.db2.gz KGJRVTACNFMAGS-QHCPKHFHSA-N 0 0 457.527 4.800 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H](C1CCCCC1)C2 ZINC001463295651 1068348025 /nfs/dbraw/zinc/34/80/25/1068348025.db2.gz KRHNAZJZTLMVPU-QHCPKHFHSA-N 0 0 458.580 4.916 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H](C1CCCCC1)C2 ZINC001463295649 1068348041 /nfs/dbraw/zinc/34/80/41/1068348041.db2.gz KRHNAZJZTLMVPU-HSZRJFAPSA-N 0 0 458.580 4.916 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H](C1CCCCC1)C2 ZINC001463294648 1068348113 /nfs/dbraw/zinc/34/81/13/1068348113.db2.gz IVSKFTWMBAJICX-QHCPKHFHSA-N 0 0 458.580 4.916 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)c1 ZINC001463299825 1068349579 /nfs/dbraw/zinc/34/95/79/1068349579.db2.gz YZFZUKXRWBQQRR-NRFANRHFSA-N 0 0 454.548 4.927 20 5 JJBDRN CC[C@@H](Cc1ccccc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC001463308486 1068351589 /nfs/dbraw/zinc/35/15/89/1068351589.db2.gz QCSSWJMSMGDGAK-INIZCTEOSA-N 0 0 455.374 4.698 20 5 JJBDRN O=C(c1ccccc1Cl)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001463315443 1068353245 /nfs/dbraw/zinc/35/32/45/1068353245.db2.gz DLOPCJOCRZPJIS-UHFFFAOYSA-N 0 0 451.704 4.746 20 5 JJBDRN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001463354471 1068368432 /nfs/dbraw/zinc/36/84/32/1068368432.db2.gz AHSNAOFPDIIADH-KBMIEXCESA-N 0 0 450.560 4.546 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H](CC2CCCC2)c2ccccc2)c1 ZINC001463373136 1068375773 /nfs/dbraw/zinc/37/57/73/1068375773.db2.gz FCYPSWRXJZYDDO-GOSISDBHSA-N 0 0 453.358 4.957 20 5 JJBDRN CC1CCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC001463469022 1068410942 /nfs/dbraw/zinc/41/09/42/1068410942.db2.gz MVTVUIAEPWBBMB-QHCPKHFHSA-N 0 0 458.562 4.982 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001463469348 1068411587 /nfs/dbraw/zinc/41/15/87/1068411587.db2.gz GMZXLDJMZBQYCW-QGZVFWFLSA-N 0 0 452.319 4.559 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001463469338 1068411654 /nfs/dbraw/zinc/41/16/54/1068411654.db2.gz GMZXLDJMZBQYCW-KRWDZBQOSA-N 0 0 452.319 4.559 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2cc(Cl)c(Br)cc2Cl)cc([N+](=O)[O-])c1F ZINC001463521069 1068426558 /nfs/dbraw/zinc/42/65/58/1068426558.db2.gz UNPDYWQVRBIWMC-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN CC(C)(C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC001463547508 1068437413 /nfs/dbraw/zinc/43/74/13/1068437413.db2.gz QXTJRDHAQYDASU-NEPJUHHUSA-N 0 0 451.358 4.770 20 5 JJBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001463553983 1068439533 /nfs/dbraw/zinc/43/95/33/1068439533.db2.gz CKHHQGKSFCWTBW-MRXNPFEDSA-N 0 0 457.321 4.625 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC001463572947 1068451873 /nfs/dbraw/zinc/45/18/73/1068451873.db2.gz MRGUZBKPRVNMKX-QGZVFWFLSA-N 0 0 453.358 4.755 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)(C)c3ccc(Br)cc32)c1 ZINC001463577791 1068453100 /nfs/dbraw/zinc/45/31/00/1068453100.db2.gz GFUSXBRSFPLJHW-UHFFFAOYSA-N 0 0 453.358 4.851 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3coc4ccccc34)cc2)cc1[N+](=O)[O-] ZINC001463580546 1068454493 /nfs/dbraw/zinc/45/44/93/1068454493.db2.gz FXAKVFOYMDCTRL-UHFFFAOYSA-N 0 0 451.460 4.703 20 5 JJBDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(C)c1[N+](=O)[O-] ZINC001463605428 1068463412 /nfs/dbraw/zinc/46/34/12/1068463412.db2.gz BKVUMIQPOUTYMV-MRXNPFEDSA-N 0 0 457.321 4.639 20 5 JJBDRN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001463641430 1068478957 /nfs/dbraw/zinc/47/89/57/1068478957.db2.gz QHYZVBAYFGWPBT-KRWDZBQOSA-N 0 0 458.458 4.928 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC001463662273 1068486368 /nfs/dbraw/zinc/48/63/68/1068486368.db2.gz XKRHOPJTCQIHCV-GFCCVEGCSA-N 0 0 451.715 4.666 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)Oc2cccc3cc(Br)cnc32)cc1[N+](=O)[O-] ZINC001463666705 1068488590 /nfs/dbraw/zinc/48/85/90/1068488590.db2.gz ROUGTAVJYMAYBH-UHFFFAOYSA-N 0 0 457.689 4.635 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC001463684497 1068492971 /nfs/dbraw/zinc/49/29/71/1068492971.db2.gz RICRRFUEFSLSDT-GUYCJALGSA-N 0 0 453.358 4.828 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC001463684502 1068492991 /nfs/dbraw/zinc/49/29/91/1068492991.db2.gz RICRRFUEFSLSDT-SUMWQHHRSA-N 0 0 453.358 4.828 20 5 JJBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(NC2CCCCC2)n1 ZINC001463719351 1068504165 /nfs/dbraw/zinc/50/41/65/1068504165.db2.gz FAPPHYBQUQQISX-UHFFFAOYSA-N 0 0 457.478 4.657 20 5 JJBDRN O=C(Nc1ccc(OC(=O)c2n[nH]c3c2CCCCC3)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001463741554 1068509250 /nfs/dbraw/zinc/50/92/50/1068509250.db2.gz JPYUVEGRUUGONV-UHFFFAOYSA-N 0 0 454.870 4.712 20 5 JJBDRN O=C(Nc1ccc(OC(=O)c2ncoc2C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001463744443 1068510422 /nfs/dbraw/zinc/51/04/22/1068510422.db2.gz WYSTVSKIKVOJRC-UHFFFAOYSA-N 0 0 455.732 4.727 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCc3c(OC(F)F)cccc32)c(Cl)cc1Cl ZINC001463756920 1068514204 /nfs/dbraw/zinc/51/42/04/1068514204.db2.gz FJPJFPZKGIIRAV-UHFFFAOYSA-N 0 0 453.250 4.645 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1Cl ZINC001463764883 1068516968 /nfs/dbraw/zinc/51/69/68/1068516968.db2.gz WMYLYYFNQWHNQO-GFCCVEGCSA-N 0 0 451.328 4.596 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1Cl ZINC001463764890 1068517162 /nfs/dbraw/zinc/51/71/62/1068517162.db2.gz WMYLYYFNQWHNQO-LBPRGKRZSA-N 0 0 451.328 4.596 20 5 JJBDRN COc1cc(CCNC(=O)C2(c3c(Cl)cccc3Cl)CCC2)c([N+](=O)[O-])cc1OC ZINC001463764948 1068517185 /nfs/dbraw/zinc/51/71/85/1068517185.db2.gz NOZZXBOFPMQCRU-UHFFFAOYSA-N 0 0 453.322 4.699 20 5 JJBDRN Cc1nc(-c2ccc(CCNC(=O)c3ccc(Br)cc3[N+](=O)[O-])s2)cs1 ZINC001463803997 1068530899 /nfs/dbraw/zinc/53/08/99/1068530899.db2.gz CARKOIVUNHGEMG-UHFFFAOYSA-N 0 0 452.355 4.823 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001463855970 1068548848 /nfs/dbraw/zinc/54/88/48/1068548848.db2.gz XJMQYCSLWXYIQZ-AEFFLSMTSA-N 0 0 453.358 4.623 20 5 JJBDRN 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O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(-c3ccccc3)s2)c(Br)c1 ZINC001464132856 1068628479 /nfs/dbraw/zinc/62/84/79/1068628479.db2.gz AWORXCMEQUVROH-UHFFFAOYSA-N 0 0 453.339 4.564 20 5 JJBDRN CC(C)(NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC001464163075 1068638977 /nfs/dbraw/zinc/63/89/77/1068638977.db2.gz LGSCZZMBBTYVDT-UHFFFAOYSA-N 0 0 456.134 4.714 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)cc1C ZINC001464232512 1068667770 /nfs/dbraw/zinc/66/77/70/1068667770.db2.gz CDZVVQMBCIKMBK-QGZVFWFLSA-N 0 0 453.358 4.808 20 5 JJBDRN Cc1csc([C@@H](C)C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC001464251982 1068675806 /nfs/dbraw/zinc/67/58/06/1068675806.db2.gz VOSUXURXEYGZSY-MRXNPFEDSA-N 0 0 456.593 4.536 20 5 JJBDRN Nc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001464253683 1068676713 /nfs/dbraw/zinc/67/67/13/1068676713.db2.gz YYYLTNSPYJMISK-UHFFFAOYSA-N 0 0 456.955 4.517 20 5 JJBDRN 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CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001546147182 1068759052 /nfs/dbraw/zinc/75/90/52/1068759052.db2.gz KQAHJPPPOYIZKY-QGZVFWFLSA-N 0 0 450.461 4.635 20 5 JJBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001464475949 1068760048 /nfs/dbraw/zinc/76/00/48/1068760048.db2.gz VWEAFQNOQNSCJG-UHFFFAOYSA-N 0 0 451.483 4.503 20 5 JJBDRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001464542223 1068777394 /nfs/dbraw/zinc/77/73/94/1068777394.db2.gz GZRFDWJWNUOISA-JQVVWYNYSA-N 0 0 451.567 4.933 20 5 JJBDRN CN(Cc1nnc2ccccn21)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001464572856 1068786872 /nfs/dbraw/zinc/78/68/72/1068786872.db2.gz CIIJXDDOMBMCNX-UHFFFAOYSA-N 0 0 453.911 4.714 20 5 JJBDRN CCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001464633939 1068805330 /nfs/dbraw/zinc/80/53/30/1068805330.db2.gz FWRPFOKIOMQMCS-IBGZPJMESA-N 0 0 458.946 4.776 20 5 JJBDRN 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O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164997389 722221016 /nfs/dbraw/zinc/22/10/16/722221016.db2.gz CUUXBCQMBVKUJZ-IBGZPJMESA-N 0 0 476.911 4.768 20 5 JJBDRN CC(C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@@H]1CCCCC(F)(F)C1 ZINC001359716697 1064265279 /nfs/dbraw/zinc/26/52/79/1064265279.db2.gz QRSYVOMNBMNYJZ-GOSISDBHSA-N 0 0 462.545 4.852 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 ZINC001434880756 1064313129 /nfs/dbraw/zinc/31/31/29/1064313129.db2.gz BKFORDNPORUALE-UHFFFAOYSA-N 0 0 458.580 4.892 20 5 JJBDRN Cc1ccc(-n2nc(Br)cc2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001434882475 1064315381 /nfs/dbraw/zinc/31/53/81/1064315381.db2.gz LVFOXUYQBGCKGM-UHFFFAOYSA-N 0 0 457.328 4.902 20 5 JJBDRN O=C(CCCOc1ccc2c(c1)NC(=O)CC2)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001434895347 1064323855 /nfs/dbraw/zinc/32/38/55/1064323855.db2.gz POHFSZCQNYCAKK-UHFFFAOYSA-N 0 0 457.914 4.735 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001359762838 1064377347 /nfs/dbraw/zinc/37/73/47/1064377347.db2.gz ZQYWXRQJQSORII-YKSBVNFPSA-N 0 0 484.645 4.553 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)c1F ZINC001434962462 1064378243 /nfs/dbraw/zinc/37/82/43/1064378243.db2.gz JLVOGEUWOZQKKJ-NRFANRHFSA-N 0 0 451.429 4.782 20 5 JJBDRN COc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2C)cc([N+](=O)[O-])c1C ZINC001434964602 1064379672 /nfs/dbraw/zinc/37/96/72/1064379672.db2.gz UGXYPOSLHBOQDV-QFIPXVFZSA-N 0 0 459.502 4.821 20 5 JJBDRN O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001434973313 1064387936 /nfs/dbraw/zinc/38/79/36/1064387936.db2.gz APFNMRFXWWTCMW-UHFFFAOYSA-N 0 0 450.539 4.593 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001435000636 1064415276 /nfs/dbraw/zinc/41/52/76/1064415276.db2.gz HIUKCCXFFKCXTP-UHFFFAOYSA-N 0 0 456.749 4.816 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001435007619 1064423686 /nfs/dbraw/zinc/42/36/86/1064423686.db2.gz CQVFMYUVVWAQHM-QFIPXVFZSA-N 0 0 457.958 4.676 20 5 JJBDRN CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1 ZINC001435008509 1064424504 /nfs/dbraw/zinc/42/45/04/1064424504.db2.gz JYPVQKTXLVWADE-UHFFFAOYSA-N 0 0 459.930 4.965 20 5 JJBDRN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cc(Br)ccc1[N+](=O)[O-] ZINC001435011585 1064427059 /nfs/dbraw/zinc/42/70/59/1064427059.db2.gz AYYCQCUKCGAYFJ-UHFFFAOYSA-N 0 0 450.186 4.590 20 5 JJBDRN CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@]1(C)OCCc2sccc21 ZINC001359781901 1064433269 /nfs/dbraw/zinc/43/32/69/1064433269.db2.gz YKEPAVHCTKFPDI-QHCPKHFHSA-N 0 0 455.584 4.571 20 5 JJBDRN Cc1sc(=O)n(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c1-c1ccc(F)cc1 ZINC001435045205 1064462005 /nfs/dbraw/zinc/46/20/05/1064462005.db2.gz NGZJDPSSCPLWJK-UHFFFAOYSA-N 0 0 455.511 4.908 20 5 JJBDRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001435047770 1064463823 /nfs/dbraw/zinc/46/38/23/1064463823.db2.gz SUSASXQHMIQNLT-IBGZPJMESA-N 0 0 458.301 4.881 20 5 JJBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2)c1 ZINC001435052653 1064471053 /nfs/dbraw/zinc/47/10/53/1064471053.db2.gz JYKBPNGLXCCCNV-UHFFFAOYSA-N 0 0 456.252 4.501 20 5 JJBDRN CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001359808129 1064479140 /nfs/dbraw/zinc/47/91/40/1064479140.db2.gz RWLNLFZDXATOCQ-UHFFFAOYSA-N 0 0 458.683 4.604 20 5 JJBDRN Cc1nn(-c2ccc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)cc2)c(C)c1Br ZINC001359813657 1064491211 /nfs/dbraw/zinc/49/12/11/1064491211.db2.gz AXWSOQGFPSVRHU-UHFFFAOYSA-N 0 0 455.312 4.753 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001359815174 1064495598 /nfs/dbraw/zinc/49/55/98/1064495598.db2.gz GXXRIFHTWNOZRO-SANMLTNESA-N 0 0 485.629 4.764 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001435082341 1064503680 /nfs/dbraw/zinc/50/36/80/1064503680.db2.gz AGUCICXXMNJFTB-CQSZACIVSA-N 0 0 453.264 4.615 20 5 JJBDRN C[C@H](CCc1ccccc1F)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001359839347 1064525972 /nfs/dbraw/zinc/52/59/72/1064525972.db2.gz JNXKVZZOZIJNBX-OAHLLOKOSA-N 0 0 453.436 4.670 20 5 JJBDRN O=C(c1cc(-c2ccccc2)ccn1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001359840271 1064526517 /nfs/dbraw/zinc/52/65/17/1064526517.db2.gz YWOOUFPWCPHHET-UHFFFAOYSA-N 0 0 456.424 4.638 20 5 JJBDRN CC(C)(C(=O)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001435133402 1064537178 /nfs/dbraw/zinc/53/71/78/1064537178.db2.gz IGTKEGPTKKCUJE-UHFFFAOYSA-N 0 0 450.516 4.738 20 5 JJBDRN O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001359857451 1064544217 /nfs/dbraw/zinc/54/42/17/1064544217.db2.gz ZCCGGUGUQYFWOA-OAQYLSRUSA-N 0 0 451.429 4.673 20 5 JJBDRN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC001359857780 1064544888 /nfs/dbraw/zinc/54/48/88/1064544888.db2.gz CFJALXVXCIZXAV-RPBOFIJWSA-N 0 0 458.518 4.683 20 5 JJBDRN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001435154611 1064552749 /nfs/dbraw/zinc/55/27/49/1064552749.db2.gz JBLDPUJVASWZKT-UHFFFAOYSA-N 0 0 450.539 4.653 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)c1 ZINC001435160283 1064556338 /nfs/dbraw/zinc/55/63/38/1064556338.db2.gz HEIAPXXGQADUKG-DEOSSOPVSA-N 0 0 455.518 4.565 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC001435160951 1064556836 /nfs/dbraw/zinc/55/68/36/1064556836.db2.gz HLMOGEOSWKUAPL-QHCPKHFHSA-N 0 0 454.910 4.999 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 ZINC001435164729 1064560561 /nfs/dbraw/zinc/56/05/61/1064560561.db2.gz BSUQBYOWYZQTBM-JOCHJYFZSA-N 0 0 456.882 4.793 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(OC)cc2OC)cc1 ZINC001435164730 1064560671 /nfs/dbraw/zinc/56/06/71/1064560671.db2.gz BSUQBYOWYZQTBM-QFIPXVFZSA-N 0 0 456.882 4.793 20 5 JJBDRN CC[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001435167269 1064562676 /nfs/dbraw/zinc/56/26/76/1064562676.db2.gz APSDMOPLFXMPKJ-GOSISDBHSA-N 0 0 450.276 4.657 20 5 JJBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001435182991 1064573702 /nfs/dbraw/zinc/57/37/02/1064573702.db2.gz FNJZQXQDPMYWAM-UHFFFAOYSA-N 0 0 450.442 4.954 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)NCC(C)(C)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC001435183070 1064573740 /nfs/dbraw/zinc/57/37/40/1064573740.db2.gz HAFWPIYYUFCTRX-UHFFFAOYSA-N 0 0 453.568 4.653 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001435187928 1064577300 /nfs/dbraw/zinc/57/73/00/1064577300.db2.gz ZLAKJNTXCXCTNM-AWEZNQCLSA-N 0 0 453.520 4.987 20 5 JJBDRN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1C ZINC001435199234 1064586618 /nfs/dbraw/zinc/58/66/18/1064586618.db2.gz IHVJXOKXWQNCCU-UHFFFAOYSA-N 0 0 458.316 4.507 20 5 JJBDRN COc1ccc(CCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC001435201594 1064588622 /nfs/dbraw/zinc/58/86/22/1064588622.db2.gz AQPLGEZFQSVOOR-LJQANCHMSA-N 0 0 451.342 4.573 20 5 JJBDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001359890089 1064589284 /nfs/dbraw/zinc/58/92/84/1064589284.db2.gz RLZJDKPYIPYLRJ-UWJYYQICSA-N 0 0 469.508 4.819 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)cc2C1 ZINC001435202826 1064589470 /nfs/dbraw/zinc/58/94/70/1064589470.db2.gz KDBVGOJXLJUQOV-NRFANRHFSA-N 0 0 455.536 4.733 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 ZINC001435208325 1064593266 /nfs/dbraw/zinc/59/32/66/1064593266.db2.gz QEIQDWLCVSPPOX-UHFFFAOYSA-N 0 0 459.911 4.634 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217475 1064597652 /nfs/dbraw/zinc/59/76/52/1064597652.db2.gz QIASYMUQVRQBNZ-RTBURBONSA-N 0 0 457.502 4.694 20 5 JJBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001435217473 1064597717 /nfs/dbraw/zinc/59/77/17/1064597717.db2.gz QIASYMUQVRQBNZ-OALUTQOASA-N 0 0 457.502 4.694 20 5 JJBDRN O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001435218873 1064598931 /nfs/dbraw/zinc/59/89/31/1064598931.db2.gz LKXQFOWLMHRKFM-UHFFFAOYSA-N 0 0 456.911 4.764 20 5 JJBDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001435256168 1064633185 /nfs/dbraw/zinc/63/31/85/1064633185.db2.gz SLJBBDHEJWFZHL-ZIAGYGMSSA-N 0 0 450.276 4.526 20 5 JJBDRN CCOC(=O)c1cc(Br)ccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001435258135 1064634278 /nfs/dbraw/zinc/63/42/78/1064634278.db2.gz URAYSWXEQCWTCK-UHFFFAOYSA-N 0 0 455.692 4.759 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC001435262491 1064639451 /nfs/dbraw/zinc/63/94/51/1064639451.db2.gz WTDMLOBPRAJNNV-IBGZPJMESA-N 0 0 459.543 4.750 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001435273114 1064651390 /nfs/dbraw/zinc/65/13/90/1064651390.db2.gz AXCFPWWHEWAGKA-ZDUSSCGKSA-N 0 0 456.446 4.720 20 5 JJBDRN CCOC(=O)[C@@H](C)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC001435274517 1064653235 /nfs/dbraw/zinc/65/32/35/1064653235.db2.gz UAEYDTXOBPTMCW-BJYOTHFNSA-N 0 0 459.502 4.701 20 5 JJBDRN CC(=O)N1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c2ccccc21 ZINC001435298008 1064673655 /nfs/dbraw/zinc/67/36/55/1064673655.db2.gz RJNRTKZITLEHAM-KRWDZBQOSA-N 0 0 459.506 4.566 20 5 JJBDRN O=C(c1cc(Br)cn2ccnc12)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001435309081 1064683350 /nfs/dbraw/zinc/68/33/50/1064683350.db2.gz UKPARIXNMNUVEY-UHFFFAOYSA-N 0 0 451.280 4.852 20 5 JJBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)c1 ZINC001435322715 1064695859 /nfs/dbraw/zinc/69/58/59/1064695859.db2.gz FOQFSGWROXPIHQ-UHFFFAOYSA-N 0 0 456.520 4.567 20 5 JJBDRN COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001435331508 1064703092 /nfs/dbraw/zinc/70/30/92/1064703092.db2.gz YMRYWZFKMPWJLR-JOCHJYFZSA-N 0 0 454.866 4.547 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001435340723 1064710039 /nfs/dbraw/zinc/71/00/39/1064710039.db2.gz SFUOQGLHJPUFCF-VXKWHMMOSA-N 0 0 458.534 4.900 20 5 JJBDRN COC[C@@H](C)[C@H](C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435349345 1064715985 /nfs/dbraw/zinc/71/59/85/1064715985.db2.gz CILSHDQBQKHZPU-NEPJUHHUSA-N 0 0 455.294 4.978 20 5 JJBDRN COC[C@H](C)[C@H](C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435349347 1064716053 /nfs/dbraw/zinc/71/60/53/1064716053.db2.gz CILSHDQBQKHZPU-RYUDHWBXSA-N 0 0 455.294 4.978 20 5 JJBDRN CN(C(=O)CSc1ccccc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001435353465 1064718814 /nfs/dbraw/zinc/71/88/14/1064718814.db2.gz YTFHSEBTVAYUEL-UHFFFAOYSA-N 0 0 453.564 4.634 20 5 JJBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC001435354134 1064719500 /nfs/dbraw/zinc/71/95/00/1064719500.db2.gz BVSKBIWWTRQIMW-UHFFFAOYSA-N 0 0 456.252 4.501 20 5 JJBDRN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)[C@H]2c2cccs2)cc1 ZINC001435384330 1064732828 /nfs/dbraw/zinc/73/28/28/1064732828.db2.gz HGHDWSRILNOELW-JTSKRJEESA-N 0 0 450.520 4.791 20 5 JJBDRN O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001435389664 1064735382 /nfs/dbraw/zinc/73/53/82/1064735382.db2.gz CXRWWAIYACNGTE-UHFFFAOYSA-N 0 0 450.838 4.978 20 5 JJBDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001435420931 1064749265 /nfs/dbraw/zinc/74/92/65/1064749265.db2.gz BEENUOGEBKRWLI-HNNXBMFYSA-N 0 0 451.232 4.938 20 5 JJBDRN COc1cc(C(=O)N(C)c2cccnc2N(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001435435706 1064755619 /nfs/dbraw/zinc/75/56/19/1064755619.db2.gz PEHGPLSFDXIPOV-UHFFFAOYSA-N 0 0 456.886 4.787 20 5 JJBDRN COC(=O)Cc1ccccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001435438335 1064757232 /nfs/dbraw/zinc/75/72/32/1064757232.db2.gz AQDOBOZVVPOSTF-UHFFFAOYSA-N 0 0 453.882 4.828 20 5 JJBDRN O=C(Nc1cc2c(cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC001435446747 1064762446 /nfs/dbraw/zinc/76/24/46/1064762446.db2.gz QJGNTOYYCKJSLG-UHFFFAOYSA-N 0 0 459.867 4.586 20 5 JJBDRN Cc1cc(Br)cnc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001435461847 1064771221 /nfs/dbraw/zinc/77/12/21/1064771221.db2.gz VWPULSMCYPOWOG-CYBMUJFWSA-N 0 0 456.300 4.881 20 5 JJBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001359995369 1064780794 /nfs/dbraw/zinc/78/07/94/1064780794.db2.gz MOQXERJBLOTNIS-PMSBKCLSSA-N 0 0 484.601 4.876 20 5 JJBDRN CC(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001360006723 1064793382 /nfs/dbraw/zinc/79/33/82/1064793382.db2.gz VNRGHMBUIVWGBG-FGZHOGPDSA-N 0 0 471.602 4.809 20 5 JJBDRN C[C@@H](C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001435562564 1064834518 /nfs/dbraw/zinc/83/45/18/1064834518.db2.gz RCCBDUQMEFQWAW-MRXNPFEDSA-N 0 0 451.539 4.914 20 5 JJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001435588060 1064852751 /nfs/dbraw/zinc/85/27/51/1064852751.db2.gz VWZVTORGMCLAID-QGZVFWFLSA-N 0 0 458.584 4.989 20 5 JJBDRN O=C(NCCc1ccc(Br)cc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001360040444 1064855141 /nfs/dbraw/zinc/85/51/41/1064855141.db2.gz QGJQRGGNUBPVIW-UHFFFAOYSA-N 0 0 450.289 4.592 20 5 JJBDRN CCn1c2ccc(Br)cc2nc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001435602165 1064865630 /nfs/dbraw/zinc/86/56/30/1064865630.db2.gz WOLVCOPXEHGLOO-UHFFFAOYSA-N 0 0 451.708 4.952 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001435608087 1064871068 /nfs/dbraw/zinc/87/10/68/1064871068.db2.gz COXSBMUHSJCSGY-VBKZILBWSA-N 0 0 452.429 4.669 20 5 JJBDRN O=C(Oc1cccc(F)c1I)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001435635010 1064896801 /nfs/dbraw/zinc/89/68/01/1064896801.db2.gz QODPAMBYGHZTAL-UHFFFAOYSA-N 0 0 455.101 4.577 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC001435641850 1064902595 /nfs/dbraw/zinc/90/25/95/1064902595.db2.gz CSBSJJQFTOJFEG-UHFFFAOYSA-N 0 0 455.312 4.677 20 5 JJBDRN COc1ccc(C2(CNC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCC2)cc1 ZINC001435650905 1064908668 /nfs/dbraw/zinc/90/86/68/1064908668.db2.gz YVRUFWRIGIMDLJ-UHFFFAOYSA-N 0 0 451.445 4.662 20 5 JJBDRN COc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC001435653626 1064910248 /nfs/dbraw/zinc/91/02/48/1064910248.db2.gz QOESRRLQOIBMFW-UHFFFAOYSA-N 0 0 457.552 4.644 20 5 JJBDRN CC(C)COCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001360066858 1064910964 /nfs/dbraw/zinc/91/09/64/1064910964.db2.gz PTIMCXFAZLYCBI-KRWDZBQOSA-N 0 0 455.481 4.695 20 5 JJBDRN COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)CC2 ZINC001435662962 1064916989 /nfs/dbraw/zinc/91/69/89/1064916989.db2.gz LDSXMMXAVMIOQX-UHFFFAOYSA-N 0 0 454.548 4.862 20 5 JJBDRN CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)cc1[N+](=O)[O-] ZINC001435662629 1064917014 /nfs/dbraw/zinc/91/70/14/1064917014.db2.gz KFKRPMYYVIZGQQ-UHFFFAOYSA-N 0 0 455.511 4.699 20 5 JJBDRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001435663817 1064918167 /nfs/dbraw/zinc/91/81/67/1064918167.db2.gz VSANFAAKTKXKFP-UXHICEINSA-N 0 0 451.523 4.791 20 5 JJBDRN CC(C)CN(C(=O)c1ccc(Cn2cccn2)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435672967 1064925728 /nfs/dbraw/zinc/92/57/28/1064925728.db2.gz IZFWOIMQUNVCGA-UHFFFAOYSA-N 0 0 451.508 4.859 20 5 JJBDRN CN(C(=O)c1cc(COc2ccccc2F)on1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435672419 1064926046 /nfs/dbraw/zinc/92/60/46/1064926046.db2.gz GLJVLVKSNJAYSB-UHFFFAOYSA-N 0 0 454.439 4.701 20 5 JJBDRN CN(C(=O)CSc1ccc(C(F)(F)F)cn1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435673926 1064926654 /nfs/dbraw/zinc/92/66/54/1064926654.db2.gz NELIJILAMUESCD-UHFFFAOYSA-N 0 0 454.455 4.887 20 5 JJBDRN CC(C)CN(C(=O)[C@H](C)NC(=O)C1CCCCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435675453 1064927779 /nfs/dbraw/zinc/92/77/79/1064927779.db2.gz WFLVQCVZERRKSE-INIZCTEOSA-N 0 0 458.584 4.792 20 5 JJBDRN Cc1cc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001435684149 1064932125 /nfs/dbraw/zinc/93/21/25/1064932125.db2.gz FFHIFVYDZSYJRE-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC001435690218 1064935887 /nfs/dbraw/zinc/93/58/87/1064935887.db2.gz AJOMUFDXNJBNPX-RNODOKPDSA-N 0 0 457.826 4.652 20 5 JJBDRN O=C(Nc1ccccc1Nc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001435696270 1064942673 /nfs/dbraw/zinc/94/26/73/1064942673.db2.gz DRVNJDGXVBVXPL-UHFFFAOYSA-N 0 0 454.433 4.706 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C(C)(C)C ZINC001435714131 1064951987 /nfs/dbraw/zinc/95/19/87/1064951987.db2.gz UAYOQQYPBYJYBR-UHFFFAOYSA-N 0 0 452.292 4.949 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001360088403 1064953722 /nfs/dbraw/zinc/95/37/22/1064953722.db2.gz LXZLUGPCFKAQTL-FQEVSTJZSA-N 0 0 457.502 4.776 20 5 JJBDRN COc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)c(Br)c1 ZINC001435730066 1064961308 /nfs/dbraw/zinc/96/13/08/1064961308.db2.gz GARXOIUPMTZNDL-VIFPVBQESA-N 0 0 458.106 4.619 20 5 JJBDRN CCc1ccc(C2=CCN(C(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])CC2)cc1 ZINC001435731292 1064961691 /nfs/dbraw/zinc/96/16/91/1064961691.db2.gz JJRCESJHKONYOO-UHFFFAOYSA-N 0 0 458.356 4.672 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001435733980 1064963767 /nfs/dbraw/zinc/96/37/67/1064963767.db2.gz WMWYWRBZSMTXDP-DLBZAZTESA-N 0 0 455.511 4.762 20 5 JJBDRN COC(=O)CCSc1cccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC001435737193 1064964834 /nfs/dbraw/zinc/96/48/34/1064964834.db2.gz WMOMWMYCKBMBLG-UHFFFAOYSA-N 0 0 453.314 4.573 20 5 JJBDRN CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)ccn1 ZINC001435758673 1064980071 /nfs/dbraw/zinc/98/00/71/1064980071.db2.gz LIRQFSIZNYXBSE-UHFFFAOYSA-N 0 0 459.550 4.767 20 5 JJBDRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Br)c1 ZINC001435765504 1064981718 /nfs/dbraw/zinc/98/17/18/1064981718.db2.gz NLXRSTWNULTCSE-SNVBAGLBSA-N 0 0 458.106 4.834 20 5 JJBDRN O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC001435777462 1064987969 /nfs/dbraw/zinc/98/79/69/1064987969.db2.gz PBNKPOOHNVPOKD-UHFFFAOYSA-N 0 0 458.518 4.767 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc(Cl)nc2)n1CC1CCOCC1 ZINC001360115614 1064997752 /nfs/dbraw/zinc/99/77/52/1064997752.db2.gz DCXPIYUVKPVZLS-UHFFFAOYSA-N 0 0 470.961 4.743 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001360115268 1064997847 /nfs/dbraw/zinc/99/78/47/1064997847.db2.gz QXCAGERUTPCFNC-AWEZNQCLSA-N 0 0 453.264 4.615 20 5 JJBDRN CCOc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC001435801084 1064998265 /nfs/dbraw/zinc/99/82/65/1064998265.db2.gz QHTNHDRHOAYJGD-IBGZPJMESA-N 0 0 455.898 4.764 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccnc2)n1CCCc1nccs1 ZINC001360115944 1064999156 /nfs/dbraw/zinc/99/91/56/1064999156.db2.gz OSAJZERXCOCBOA-UHFFFAOYSA-N 0 0 463.567 4.753 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1CCSC(F)(F)F ZINC001360116255 1065000240 /nfs/dbraw/zinc/00/02/40/1065000240.db2.gz ZBAGTIPOCJDXNW-UHFFFAOYSA-N 0 0 466.489 4.916 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1 ZINC001360116540 1065001212 /nfs/dbraw/zinc/00/12/12/1065001212.db2.gz IIFOEDVQFQJELD-DEOSSOPVSA-N 0 0 481.578 4.754 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccncc2)n1Cc1ccncc1Cl ZINC001360116530 1065001276 /nfs/dbraw/zinc/00/12/76/1065001276.db2.gz IEBQOGPCVZPEJB-UHFFFAOYSA-N 0 0 477.956 4.684 20 5 JJBDRN Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC001435805256 1065001737 /nfs/dbraw/zinc/00/17/37/1065001737.db2.gz CWBMLNXDXUZJBU-SFHVURJKSA-N 0 0 454.486 4.607 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC2CC2)n1Cc1cccc(Br)n1 ZINC001360116788 1065001906 /nfs/dbraw/zinc/00/19/06/1065001906.db2.gz QGEAIZWTMWHYDG-UHFFFAOYSA-N 0 0 485.386 4.760 20 5 JJBDRN Cc1ccc(C(=O)c2c3c(sc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC(C)(C)CC3)cc1 ZINC001435806926 1065002087 /nfs/dbraw/zinc/00/20/87/1065002087.db2.gz QBTGUEHJBFXRDG-UHFFFAOYSA-N 0 0 452.536 4.546 20 5 JJBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC001435811325 1065004752 /nfs/dbraw/zinc/00/47/52/1065004752.db2.gz OLFKSSWWBWRXCH-HNNXBMFYSA-N 0 0 458.877 4.504 20 5 JJBDRN CC(C)N(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@](C)=O)CCC1 ZINC001360120935 1065008650 /nfs/dbraw/zinc/00/86/50/1065008650.db2.gz IDKQLINFJUQFGZ-YTTGMZPUSA-N 0 0 473.624 4.631 20 5 JJBDRN CC(C)N(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@@](C)=O)CCC1 ZINC001360120930 1065008849 /nfs/dbraw/zinc/00/88/49/1065008849.db2.gz IDKQLINFJUQFGZ-JGCGQSQUSA-N 0 0 473.624 4.631 20 5 JJBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC001435820712 1065008986 /nfs/dbraw/zinc/00/89/86/1065008986.db2.gz FGPZYQUGTWZPRB-UHFFFAOYSA-N 0 0 453.090 4.531 20 5 JJBDRN COC1CCC(CCNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC001435838758 1065017297 /nfs/dbraw/zinc/01/72/97/1065017297.db2.gz RVXWYKIEYKJKRQ-UHFFFAOYSA-N 0 0 456.564 4.873 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC001360130620 1065026356 /nfs/dbraw/zinc/02/63/56/1065026356.db2.gz CPHLECXNMXOTJG-LJQANCHMSA-N 0 0 451.539 4.601 20 5 JJBDRN CN(C)c1ccc(COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] ZINC001435859990 1065029365 /nfs/dbraw/zinc/02/93/65/1065029365.db2.gz CCVJJPYNRSDWLL-UHFFFAOYSA-N 0 0 459.911 4.985 20 5 JJBDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001360137002 1065032485 /nfs/dbraw/zinc/03/24/85/1065032485.db2.gz OVJHAZWATJODBL-UHFFFAOYSA-N 0 0 450.314 4.779 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001435867353 1065034388 /nfs/dbraw/zinc/03/43/88/1065034388.db2.gz GIYJVFDINRMNEI-AWEZNQCLSA-N 0 0 457.246 4.935 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC001435881221 1065041994 /nfs/dbraw/zinc/04/19/94/1065041994.db2.gz RBFQYYNTLUOQMV-INIZCTEOSA-N 0 0 458.927 4.976 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)C(c1ccccc1)c1ccccc1 ZINC001435897931 1065051017 /nfs/dbraw/zinc/05/10/17/1065051017.db2.gz VVEFGCAHXATYEE-UHFFFAOYSA-N 0 0 458.255 4.970 20 5 JJBDRN Cc1ccc2c(CC(=O)Oc3cc([N+](=O)[O-])ccc3I)coc2c1C ZINC001435925292 1065066686 /nfs/dbraw/zinc/06/66/86/1065066686.db2.gz QZEDRTCCBHEYKF-UHFFFAOYSA-N 0 0 451.216 4.711 20 5 JJBDRN O=C(Oc1ccc(Oc2ccc(Br)cn2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001435925628 1065066723 /nfs/dbraw/zinc/06/67/23/1065066723.db2.gz NGAPZLIXBNOJAW-UHFFFAOYSA-N 0 0 455.224 4.640 20 5 JJBDRN COc1cc(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC001435936845 1065071694 /nfs/dbraw/zinc/07/16/94/1065071694.db2.gz GYAJKSBLPYPRPR-MRXNPFEDSA-N 0 0 456.442 4.561 20 5 JJBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001360188232 1065072753 /nfs/dbraw/zinc/07/27/53/1065072753.db2.gz PCNNYEYDWYYPRM-GOSISDBHSA-N 0 0 457.399 4.801 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cnc2ccc(Br)cc2c1 ZINC001435938978 1065073290 /nfs/dbraw/zinc/07/32/90/1065073290.db2.gz YIMAVBCAKWPDBP-JTQLQIEISA-N 0 0 451.660 4.932 20 5 JJBDRN COc1ccc(C(=O)c2c(NC(=O)CCC(C)(C)[N+](=O)[O-])sc3c2CCC3)cc1Cl ZINC001435949545 1065077678 /nfs/dbraw/zinc/07/76/78/1065077678.db2.gz SMMYLIZRRIVXHS-UHFFFAOYSA-N 0 0 450.944 4.904 20 5 JJBDRN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001435964847 1065084804 /nfs/dbraw/zinc/08/48/04/1065084804.db2.gz VTENMISSBLXWGF-WMZOPIPTSA-N 0 0 451.589 4.720 20 5 JJBDRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001435964846 1065084838 /nfs/dbraw/zinc/08/48/38/1065084838.db2.gz VTENMISSBLXWGF-SJLPKXTDSA-N 0 0 451.589 4.720 20 5 JJBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2(CCOCc3ccccc3)CC2)CC1 ZINC001435973288 1065087793 /nfs/dbraw/zinc/08/77/93/1065087793.db2.gz CZSMUHIYELLRCV-UHFFFAOYSA-N 0 0 451.567 4.948 20 5 JJBDRN O=C(N[C@@H](CC1CCCCC1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001360233826 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/nfs/dbraw/zinc/13/02/45/1065130245.db2.gz BXMVKKYFBVZGCX-UHFFFAOYSA-N 0 0 456.545 4.684 20 5 JJBDRN CC(C)[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccccc2C1=O ZINC001360316933 1065149923 /nfs/dbraw/zinc/14/99/23/1065149923.db2.gz BMJNVOXZLGEYDM-JOCHJYFZSA-N 0 0 459.458 4.646 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC001436058707 1065150469 /nfs/dbraw/zinc/15/04/69/1065150469.db2.gz TXYKEGNBUFIWDA-UHFFFAOYSA-N 0 0 456.476 4.918 20 5 JJBDRN Cc1nn(CCC(=O)Nc2ccc3oc(SCc4ccccc4)nc3c2)c(C)c1[N+](=O)[O-] ZINC001436095229 1065177003 /nfs/dbraw/zinc/17/70/03/1065177003.db2.gz CSUDNJHCAIQUMB-UHFFFAOYSA-N 0 0 451.508 4.870 20 5 JJBDRN Cc1ccc(C(=O)c2ccsc2NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC001436100939 1065179867 /nfs/dbraw/zinc/17/98/67/1065179867.db2.gz TVSREODYZZJPDA-UHFFFAOYSA-N 0 0 450.451 4.773 20 5 JJBDRN CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)C ZINC001436105955 1065183028 /nfs/dbraw/zinc/18/30/28/1065183028.db2.gz OCHCMCFIDHSIIK-DEOSSOPVSA-N 0 0 453.583 4.845 20 5 JJBDRN O=C(Nc1cccc(N2CCC2=O)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001436108041 1065183620 /nfs/dbraw/zinc/18/36/20/1065183620.db2.gz BAUTYKKRQQEMAF-UHFFFAOYSA-N 0 0 450.882 4.849 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc([N+](=O)[O-])ccc1Br ZINC001436109782 1065184910 /nfs/dbraw/zinc/18/49/10/1065184910.db2.gz LWGTZZZZTHJAGJ-NSHDSACASA-N 0 0 459.127 4.673 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cn1 ZINC001360354017 1065201083 /nfs/dbraw/zinc/20/10/83/1065201083.db2.gz BGRHPIBDZKLXRW-SANMLTNESA-N 0 0 494.596 4.725 20 5 JJBDRN O=C([C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001436131900 1065204426 /nfs/dbraw/zinc/20/44/26/1065204426.db2.gz KJZSAXSESDSTCC-OAQYLSRUSA-N 0 0 458.877 4.568 20 5 JJBDRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001436137244 1065208167 /nfs/dbraw/zinc/20/81/67/1065208167.db2.gz XVASKJMPOMGFLV-QZTJIDSGSA-N 0 0 456.252 4.649 20 5 JJBDRN O=C(Oc1ccc(Oc2ncc(Br)cn2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001436137260 1065208227 /nfs/dbraw/zinc/20/82/27/1065208227.db2.gz XVASKJMPOMGFLV-ZWKOTPCHSA-N 0 0 456.252 4.649 20 5 JJBDRN CC(C)C[C@](C)(NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(Br)c1 ZINC001436138073 1065208593 /nfs/dbraw/zinc/20/85/93/1065208593.db2.gz MGGQULOZUNXBEA-FQEVSTJZSA-N 0 0 453.308 4.953 20 5 JJBDRN Cc1c(C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001436140005 1065210476 /nfs/dbraw/zinc/21/04/76/1065210476.db2.gz BMRKJLUSGFZSKO-KRWDZBQOSA-N 0 0 457.490 4.554 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c(C)c([N+](=O)[O-])c1 ZINC001436140882 1065210868 /nfs/dbraw/zinc/21/08/68/1065210868.db2.gz KLWVGPAJMBAAJP-UHFFFAOYSA-N 0 0 450.447 4.530 20 5 JJBDRN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436152735 1065217810 /nfs/dbraw/zinc/21/78/10/1065217810.db2.gz QUAGPPSCHBVMCH-UHFFFAOYSA-N 0 0 450.451 4.975 20 5 JJBDRN O=C(Nc1nc2c(cccc2Br)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001436171923 1065228007 /nfs/dbraw/zinc/22/80/07/1065228007.db2.gz ASSLPIMEDCYIPN-UHFFFAOYSA-N 0 0 457.103 4.982 20 5 JJBDRN CC(C)OC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC001360370145 1065228931 /nfs/dbraw/zinc/22/89/31/1065228931.db2.gz FKRRDACRSCFWKV-BJLQDIEVSA-N 0 0 497.518 4.777 20 5 JJBDRN CC(C)OCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001360376666 1065236337 /nfs/dbraw/zinc/23/63/37/1065236337.db2.gz KWLAONQAXAEVDV-CALCHBBNSA-N 0 0 451.518 4.786 20 5 JJBDRN CC(=O)c1cc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC001436197830 1065245730 /nfs/dbraw/zinc/24/57/30/1065245730.db2.gz AZNQUOVCSRBAOK-UHFFFAOYSA-N 0 0 458.449 4.970 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Oc2cccnn2)c1 ZINC001360395000 1065259008 /nfs/dbraw/zinc/25/90/08/1065259008.db2.gz OPVJJBSLWYESIP-UHFFFAOYSA-N 0 0 450.398 4.927 20 5 JJBDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001360402903 1065266418 /nfs/dbraw/zinc/26/64/18/1065266418.db2.gz RNEFHDPGOHOPPF-CYBMUJFWSA-N 0 0 452.736 4.530 20 5 JJBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001360403078 1065266445 /nfs/dbraw/zinc/26/64/45/1065266445.db2.gz SIDKKDZWZBTILS-QGZVFWFLSA-N 0 0 457.399 4.801 20 5 JJBDRN CCCCc1nc(-c2ccc(OC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)no1 ZINC001360403164 1065266517 /nfs/dbraw/zinc/26/65/17/1065266517.db2.gz SXMKBSWRCLVACV-UHFFFAOYSA-N 0 0 450.495 4.809 20 5 JJBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001360403071 1065266546 /nfs/dbraw/zinc/26/65/46/1065266546.db2.gz SIDKKDZWZBTILS-KRWDZBQOSA-N 0 0 457.399 4.801 20 5 JJBDRN Cc1cc(OCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC001436228697 1065266687 /nfs/dbraw/zinc/26/66/87/1065266687.db2.gz QZXMNRXLHAIGBG-OAQYLSRUSA-N 0 0 452.429 4.585 20 5 JJBDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cc2)c1 ZINC001436237373 1065271404 /nfs/dbraw/zinc/27/14/04/1065271404.db2.gz YCONVXZPCFNETI-UHFFFAOYSA-N 0 0 452.463 4.651 20 5 JJBDRN C[C@@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(F)c(I)c1 ZINC001436250683 1065275071 /nfs/dbraw/zinc/27/50/71/1065275071.db2.gz SKLUSLRTWCXHFD-SSDOTTSWSA-N 0 0 451.138 4.535 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC001360412087 1065275420 /nfs/dbraw/zinc/27/54/20/1065275420.db2.gz UABYJDPIHOPHPB-CQSZACIVSA-N 0 0 459.877 4.754 20 5 JJBDRN COc1cc(C(=O)NCC[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001436271818 1065282825 /nfs/dbraw/zinc/28/28/25/1065282825.db2.gz DHLHQKQTBIUFHW-HXUWFJFHSA-N 0 0 453.322 4.886 20 5 JJBDRN CC(C)SCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001360421372 1065286675 /nfs/dbraw/zinc/28/66/75/1065286675.db2.gz ADKOKNMGTTZCBV-UHFFFAOYSA-N 0 0 461.632 4.964 20 5 JJBDRN COc1c(F)cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1F ZINC001436304855 1065292806 /nfs/dbraw/zinc/29/28/06/1065292806.db2.gz VCURDNBKMDGXOD-UHFFFAOYSA-N 0 0 452.357 4.640 20 5 JJBDRN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001436325057 1065296358 /nfs/dbraw/zinc/29/63/58/1065296358.db2.gz QEQMXFWGCRNIHH-UHFFFAOYSA-N 0 0 456.905 4.680 20 5 JJBDRN Cc1sc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C1CCCCC1 ZINC001436353999 1065301397 /nfs/dbraw/zinc/30/13/97/1065301397.db2.gz FLOIBCJHOGQPHL-LJQANCHMSA-N 0 0 456.568 4.959 20 5 JJBDRN COc1cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cc(OC)c1OCc1ccccc1 ZINC001436372427 1065305193 /nfs/dbraw/zinc/30/51/93/1065305193.db2.gz DXILLZOLRXNVNA-UHFFFAOYSA-N 0 0 452.438 4.533 20 5 JJBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(N2CCCOC2=O)cc1 ZINC001436508638 1065338102 /nfs/dbraw/zinc/33/81/02/1065338102.db2.gz FOSAWYWNGYQCQZ-CQSZACIVSA-N 0 0 452.492 4.556 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1C ZINC001436516353 1065339361 /nfs/dbraw/zinc/33/93/61/1065339361.db2.gz MTBFOMOMSHQMFE-CVDCTZTESA-N 0 0 450.466 4.532 20 5 JJBDRN O=C(N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001436522694 1065342151 /nfs/dbraw/zinc/34/21/51/1065342151.db2.gz YJYGISQLZDMFRL-GCJKJVERSA-N 0 0 456.857 4.568 20 5 JJBDRN O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001436522689 1065342276 /nfs/dbraw/zinc/34/22/76/1065342276.db2.gz YJYGISQLZDMFRL-AVRDEDQJSA-N 0 0 456.857 4.568 20 5 JJBDRN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@@H]1CCOC(C)(C)C1 ZINC001436558668 1065361181 /nfs/dbraw/zinc/36/11/81/1065361181.db2.gz ZDDGYRGIBDUTLC-QGZVFWFLSA-N 0 0 457.493 4.636 20 5 JJBDRN C[C@H](c1cccs1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ncccc1F ZINC001360460568 1065362516 /nfs/dbraw/zinc/36/25/16/1065362516.db2.gz CHGWLXAIHLERQJ-OAHLLOKOSA-N 0 0 468.514 4.725 20 5 JJBDRN CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001436566361 1065367330 /nfs/dbraw/zinc/36/73/30/1065367330.db2.gz GRKNFZLWRJXKOY-FKBYEOEOSA-N 0 0 453.539 4.861 20 5 JJBDRN CCN(C)C(=O)CSc1ccc([C@H](C)OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC001436574301 1065374433 /nfs/dbraw/zinc/37/44/33/1065374433.db2.gz JOVXUSDQJMRYIH-HNNXBMFYSA-N 0 0 457.552 4.658 20 5 JJBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC001436577657 1065377583 /nfs/dbraw/zinc/37/75/83/1065377583.db2.gz RJGBTJDCMSEFDD-UHFFFAOYSA-N 0 0 452.894 4.854 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001436628135 1065405579 /nfs/dbraw/zinc/40/55/79/1065405579.db2.gz FKBJKCSXHNDLIF-CRAIPNDOSA-N 0 0 451.951 4.890 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001436629053 1065406605 /nfs/dbraw/zinc/40/66/05/1065406605.db2.gz MPMTYMKLOAXKDD-KXBFYZLASA-N 0 0 451.951 4.890 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1cccs1 ZINC001360497546 1065414768 /nfs/dbraw/zinc/41/47/68/1065414768.db2.gz IXXPILDVBUXNRM-IBGZPJMESA-N 0 0 496.637 4.778 20 5 JJBDRN C[C@@H](Cc1cccs1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001360498308 1065417248 /nfs/dbraw/zinc/41/72/48/1065417248.db2.gz QQXMKWFSYONVBF-ROUUACIJSA-N 0 0 455.584 4.656 20 5 JJBDRN Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001436687184 1065423364 /nfs/dbraw/zinc/42/33/64/1065423364.db2.gz NFXXXFSHOVKXHQ-UHFFFAOYSA-N 0 0 450.322 4.640 20 5 JJBDRN COc1cc2c(c(OC)c1)N(C(=O)c1ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c1)CCC2 ZINC001436781887 1065439932 /nfs/dbraw/zinc/43/99/32/1065439932.db2.gz GKIJXHQMIHYUEF-CALCHBBNSA-N 0 0 453.539 4.687 20 5 JJBDRN O=C(Cc1ccc(F)c(Br)c1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001436782446 1065440825 /nfs/dbraw/zinc/44/08/25/1065440825.db2.gz ZEYRXFABBRPSGJ-OAHLLOKOSA-N 0 0 453.161 4.598 20 5 JJBDRN CC[C@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506108 1065443058 /nfs/dbraw/zinc/44/30/58/1065443058.db2.gz BIAQBLQRARTUCS-SFTDATJTSA-N 0 0 453.539 4.863 20 5 JJBDRN CSc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1[N+](=O)[O-] ZINC001360507566 1065446493 /nfs/dbraw/zinc/44/64/93/1065446493.db2.gz PXMQZKRGJNTFTF-UHFFFAOYSA-N 0 0 458.517 4.765 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])ccc1N1CCCCC1 ZINC001436884854 1065464547 /nfs/dbraw/zinc/46/45/47/1065464547.db2.gz DZRMCDKXEZGLTP-UHFFFAOYSA-N 0 0 452.294 4.931 20 5 JJBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001360516947 1065479294 /nfs/dbraw/zinc/47/92/94/1065479294.db2.gz WODOHXMIRJPVDZ-KRWDZBQOSA-N 0 0 484.601 4.520 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001436959194 1065481032 /nfs/dbraw/zinc/48/10/32/1065481032.db2.gz LQNQPQHXKOKZFM-RQXXJAGISA-N 0 0 459.587 4.660 20 5 JJBDRN C[C@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC1CCOCC1)c1nccs1 ZINC001360518991 1065484254 /nfs/dbraw/zinc/48/42/54/1065484254.db2.gz GHONELIDJWSCLY-QGZVFWFLSA-N 0 0 470.599 4.757 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437141156 1065512615 /nfs/dbraw/zinc/51/26/15/1065512615.db2.gz HZNZWMKKSUXMOF-UHOFOFEASA-N 0 0 469.376 4.788 20 5 JJBDRN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001360538555 1065522866 /nfs/dbraw/zinc/52/28/66/1065522866.db2.gz UQABNQFAIJEZME-NDEPHWFRSA-N 0 0 459.321 4.917 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001437227810 1065523009 /nfs/dbraw/zinc/52/30/09/1065523009.db2.gz UXTSDWPSWYAXKJ-RBBKRZOGSA-N 0 0 454.548 4.625 20 5 JJBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001437383640 1065545978 /nfs/dbraw/zinc/54/59/78/1065545978.db2.gz XVGRMVLLZDQCFC-UHFFFAOYSA-N 0 0 457.317 4.926 20 5 JJBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001437523124 1065566774 /nfs/dbraw/zinc/56/67/74/1065566774.db2.gz AQHRQFVTFXXPGI-SFHVURJKSA-N 0 0 459.289 4.693 20 5 JJBDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001437582151 1065581076 /nfs/dbraw/zinc/58/10/76/1065581076.db2.gz HYBYMJHMQHYGTJ-UHFFFAOYSA-N 0 0 454.235 4.525 20 5 JJBDRN O=C(c1ccc(I)c(Cl)c1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC001437582720 1065581297 /nfs/dbraw/zinc/58/12/97/1065581297.db2.gz JASXUGSIRPUUOZ-UHFFFAOYSA-N 0 0 456.667 4.836 20 5 JJBDRN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC001360589180 1065593877 /nfs/dbraw/zinc/59/38/77/1065593877.db2.gz VFSCYZBCSRUZFG-GOSISDBHSA-N 0 0 456.524 4.647 20 5 JJBDRN CC[C@H](CCc1ccccc1)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001437731586 1065597191 /nfs/dbraw/zinc/59/71/91/1065597191.db2.gz VOIMDKZCQOWDNH-NLFFAJNJSA-N 0 0 455.555 4.862 20 5 JJBDRN CC1(C)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cc(Br)ccc21 ZINC001437803406 1065611678 /nfs/dbraw/zinc/61/16/78/1065611678.db2.gz INJPYLZCKHOLBG-UHFFFAOYSA-N 0 0 458.356 4.898 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(Br)cc1F ZINC001437809110 1065612715 /nfs/dbraw/zinc/61/27/15/1065612715.db2.gz CCQFCNNSIWRVAG-SSDOTTSWSA-N 0 0 451.170 4.728 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001437867147 1065621705 /nfs/dbraw/zinc/62/17/05/1065621705.db2.gz BXDFGJYJPRPEBL-UHFFFAOYSA-N 0 0 452.370 4.801 20 5 JJBDRN O=C(N[C@@H]1CCCCc2cc(Br)ccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001437897889 1065627743 /nfs/dbraw/zinc/62/77/43/1065627743.db2.gz VVKGNENHHPJKBG-QGZVFWFLSA-N 0 0 455.312 4.741 20 5 JJBDRN Cc1cc(Cl)cc2c1N(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])CCC2 ZINC001360608168 1065635438 /nfs/dbraw/zinc/63/54/38/1065635438.db2.gz QIUBYVSXEXLPEJ-UHFFFAOYSA-N 0 0 452.736 4.735 20 5 JJBDRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001437986331 1065641399 /nfs/dbraw/zinc/64/13/99/1065641399.db2.gz KDGGAWBVIHJGQW-PIGZYNQJSA-N 0 0 457.335 4.755 20 5 JJBDRN O=C(Nc1cc(Br)cc(Br)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001438040953 1065658548 /nfs/dbraw/zinc/65/85/48/1065658548.db2.gz DEQZYTAGNBMKIM-UHFFFAOYSA-N 0 0 455.106 4.946 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC001438362809 1065716597 /nfs/dbraw/zinc/71/65/97/1065716597.db2.gz ZJNGUIYCPYIDTQ-UGSOOPFHSA-N 0 0 456.392 4.808 20 5 JJBDRN O=C(NC[C@@H]1CC(=O)c2ccccc2O1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001438548473 1065730534 /nfs/dbraw/zinc/73/05/34/1065730534.db2.gz ORAAPHMLXZTHGU-KRWDZBQOSA-N 0 0 452.850 4.804 20 5 JJBDRN COc1cc(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)c([N+](=O)[O-])cc1F ZINC001360674816 1065733070 /nfs/dbraw/zinc/73/30/70/1065733070.db2.gz NIJBSVBOFIFDQN-UHFFFAOYSA-N 0 0 452.417 4.996 20 5 JJBDRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001438578490 1065733202 /nfs/dbraw/zinc/73/32/02/1065733202.db2.gz WWQBPVLRHUISRO-UHFFFAOYSA-N 0 0 456.502 4.623 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cc(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC001438629090 1065737983 /nfs/dbraw/zinc/73/79/83/1065737983.db2.gz HCESUJJJSULEGG-FQEVSTJZSA-N 0 0 457.380 4.530 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001438634705 1065739269 /nfs/dbraw/zinc/73/92/69/1065739269.db2.gz JWPWEFOWVPZAGE-UHFFFAOYSA-N 0 0 450.154 4.837 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)cc1OC ZINC001438718418 1065746815 /nfs/dbraw/zinc/74/68/15/1065746815.db2.gz VXUHGMPBTFYMSR-UHFFFAOYSA-N 0 0 452.463 4.982 20 5 JJBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001438912389 1065765680 /nfs/dbraw/zinc/76/56/80/1065765680.db2.gz RATNQYCNMXBDNI-UHFFFAOYSA-N 0 0 451.910 4.790 20 5 JJBDRN C[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC001439018956 1065778091 /nfs/dbraw/zinc/77/80/91/1065778091.db2.gz BOBVDKTYDGYVEX-LBPRGKRZSA-N 0 0 456.852 4.756 20 5 JJBDRN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1[N+](=O)[O-] ZINC001439029921 1065778600 /nfs/dbraw/zinc/77/86/00/1065778600.db2.gz DJDIHLUZLNCNPG-HIFRSBDPSA-N 0 0 450.322 4.631 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)cc1 ZINC001439422901 1065825531 /nfs/dbraw/zinc/82/55/31/1065825531.db2.gz SGHQYNZZDSDHQQ-YTTGMZPUSA-N 0 0 456.476 4.701 20 5 JJBDRN CC1(C)C[C@@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(C)(C)O1 ZINC001439628375 1065849847 /nfs/dbraw/zinc/84/98/47/1065849847.db2.gz REGRWQOUFWHPBD-INIZCTEOSA-N 0 0 457.493 4.540 20 5 JJBDRN Cc1c(NC(=O)c2cc(Br)c3nccnc3c2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001439798388 1065880083 /nfs/dbraw/zinc/88/00/83/1065880083.db2.gz CISTZHOBCJAQDH-UHFFFAOYSA-N 0 0 455.190 4.880 20 5 JJBDRN Cc1c(NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001439802220 1065880545 /nfs/dbraw/zinc/88/05/45/1065880545.db2.gz NRVSDRUHUFHZBD-UHFFFAOYSA-N 0 0 454.401 4.895 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001360796019 1065909502 /nfs/dbraw/zinc/90/95/02/1065909502.db2.gz NYEPIKXRTBKMLV-UHFFFAOYSA-N 0 0 450.341 4.952 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001440189588 1065922504 /nfs/dbraw/zinc/92/25/04/1065922504.db2.gz ZWRMQAIDWPFUOG-CYBMUJFWSA-N 0 0 454.280 4.502 20 5 JJBDRN COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001440339535 1065931312 /nfs/dbraw/zinc/93/13/12/1065931312.db2.gz PUKJUTOJXBDOQY-UHFFFAOYSA-N 0 0 455.898 4.678 20 5 JJBDRN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001440337246 1065931396 /nfs/dbraw/zinc/93/13/96/1065931396.db2.gz HHYVDQKYUVZWNM-UHFFFAOYSA-N 0 0 458.312 4.683 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc2[N+](=O)[O-])C1 ZINC001440366082 1065933197 /nfs/dbraw/zinc/93/31/97/1065933197.db2.gz BYLCVBSHIUPRBE-SAHWJRBASA-N 0 0 458.990 4.763 20 5 JJBDRN CCOc1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC001360825488 1065937841 /nfs/dbraw/zinc/93/78/41/1065937841.db2.gz KFBHSIALWCSBNC-UHFFFAOYSA-N 0 0 451.504 4.804 20 5 JJBDRN Cc1cc(C)cc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001360828951 1065940522 /nfs/dbraw/zinc/94/05/22/1065940522.db2.gz HMUVDGYMLYXYNY-UHFFFAOYSA-N 0 0 454.530 4.966 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)[C@@H]1COc2ccccc2O1 ZINC001360849454 1065959384 /nfs/dbraw/zinc/95/93/84/1065959384.db2.gz FBXWBPJGDIWBBE-NRFANRHFSA-N 0 0 458.829 4.636 20 5 JJBDRN COc1cc(CCNC(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC001440663243 1065960528 /nfs/dbraw/zinc/96/05/28/1065960528.db2.gz OHUKXVFBBGBGHS-QHCPKHFHSA-N 0 0 454.910 4.756 20 5 JJBDRN CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360851384 1065964597 /nfs/dbraw/zinc/96/45/97/1065964597.db2.gz JAPUCSWGQBYZHB-JKSUJKDBSA-N 0 0 476.375 4.547 20 5 JJBDRN CCCc1[nH]nc(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)c1[N+](=O)[O-] ZINC001440707267 1065968582 /nfs/dbraw/zinc/96/85/82/1065968582.db2.gz SKTIZDORQNODCH-UHFFFAOYSA-N 0 0 459.300 4.864 20 5 JJBDRN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001360867961 1065991223 /nfs/dbraw/zinc/99/12/23/1065991223.db2.gz NWCSHHQGKISWQV-KRWDZBQOSA-N 0 0 453.280 4.516 20 5 JJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC001441288721 1066022743 /nfs/dbraw/zinc/02/27/43/1066022743.db2.gz KZZBSAOKWPSOJO-LIRRHRJNSA-N 0 0 451.951 4.821 20 5 JJBDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC001360880507 1066033136 /nfs/dbraw/zinc/03/31/36/1066033136.db2.gz DJXCEVUUIIPXMA-RBUKOAKNSA-N 0 0 451.552 4.591 20 5 JJBDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001360882687 1066036292 /nfs/dbraw/zinc/03/62/92/1066036292.db2.gz VFRKMJJTTBMFJM-HNNXBMFYSA-N 0 0 453.520 4.940 20 5 JJBDRN Cc1nc(Cn2c(Cc3ccccn3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)sc1C ZINC001360905056 1066059097 /nfs/dbraw/zinc/05/90/97/1066059097.db2.gz RKJIESMFFRYMMW-UHFFFAOYSA-N 0 0 477.594 4.709 20 5 JJBDRN COc1cccc2c(C(=O)N3CCCC[C@@H]3CCOC(=O)c3cccc([N+](=O)[O-])c3)coc21 ZINC001441741796 1066066397 /nfs/dbraw/zinc/06/63/97/1066066397.db2.gz WQYYYHNJDXNVQA-QGZVFWFLSA-N 0 0 452.463 4.591 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC001441741739 1066066545 /nfs/dbraw/zinc/06/65/45/1066066545.db2.gz WLLVRLJAEJIBGV-QHCPKHFHSA-N 0 0 459.502 4.899 20 5 JJBDRN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC001441820327 1066073444 /nfs/dbraw/zinc/07/34/44/1066073444.db2.gz OPUHTFQHGDMFMK-HXUWFJFHSA-N 0 0 455.312 4.579 20 5 JJBDRN Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001360932650 1066090354 /nfs/dbraw/zinc/09/03/54/1066090354.db2.gz PMRQZRYRXKJHKU-NRFANRHFSA-N 0 0 498.584 4.940 20 5 JJBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(N4CCSCC4)cc3)cc2[N+](=O)[O-])C1 ZINC001360953858 1066110323 /nfs/dbraw/zinc/11/03/23/1066110323.db2.gz JTPGSJZYVJTCJF-ROUUACIJSA-N 0 0 454.596 4.883 20 5 JJBDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC001360964433 1066123379 /nfs/dbraw/zinc/12/33/79/1066123379.db2.gz QMGMTRUCKGQKIK-KGLIPLIRSA-N 0 0 450.276 4.526 20 5 JJBDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c1 ZINC001360966045 1066123996 /nfs/dbraw/zinc/12/39/96/1066123996.db2.gz VLHARRXEMAZLII-IQGLISFBSA-N 0 0 455.555 4.699 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(c4cccc(F)c4)CCOCC3)cc2[N+](=O)[O-])C1 ZINC001360981992 1066140696 /nfs/dbraw/zinc/14/06/96/1066140696.db2.gz ZMHJZSVYZXDCEM-QZTJIDSGSA-N 0 0 455.530 4.652 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@H](c2ccccc2Br)C1 ZINC001442662845 1066148794 /nfs/dbraw/zinc/14/87/94/1066148794.db2.gz CBTKBJRJOXOLIZ-INIZCTEOSA-N 0 0 459.218 4.590 20 5 JJBDRN CN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001442697631 1066152613 /nfs/dbraw/zinc/15/26/13/1066152613.db2.gz PJCYVEZZNHVRCI-KRWDZBQOSA-N 0 0 455.248 4.775 20 5 JJBDRN O=C(Nc1ccc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)cc1)c1ccco1 ZINC001442711035 1066154696 /nfs/dbraw/zinc/15/46/96/1066154696.db2.gz UVYXSFVGJRLEAK-UHFFFAOYSA-N 0 0 452.225 4.816 20 5 JJBDRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)c(C)o1 ZINC001360998366 1066177767 /nfs/dbraw/zinc/17/77/67/1066177767.db2.gz ZYHZXDDVRKOWNU-UIOOFZCWSA-N 0 0 497.596 4.612 20 5 JJBDRN COc1ccc(CC(=O)Nc2ccnc(Oc3ccccc3Br)c2)cc1[N+](=O)[O-] ZINC001361030490 1066238028 /nfs/dbraw/zinc/23/80/28/1066238028.db2.gz PHJOUVLBAROZKV-UHFFFAOYSA-N 0 0 458.268 4.734 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC001454209248 1066254671 /nfs/dbraw/zinc/25/46/71/1066254671.db2.gz UXFKEVNMXKTSEZ-UHFFFAOYSA-N 0 0 454.310 4.947 20 5 JJBDRN C[C@@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001454440258 1066282829 /nfs/dbraw/zinc/28/28/29/1066282829.db2.gz PWKWGFXHDQBWHN-DZGCQCFKSA-N 0 0 457.930 4.677 20 5 JJBDRN Cc1cc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccsc2Br)no1 ZINC001361054649 1066290171 /nfs/dbraw/zinc/29/01/71/1066290171.db2.gz AFDXSQVHXWDDOL-UHFFFAOYSA-N 0 0 489.355 4.658 20 5 JJBDRN CCOC(=O)c1csc(N(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)n1 ZINC001361055970 1066294893 /nfs/dbraw/zinc/29/48/93/1066294893.db2.gz XMXJODJAVJZUET-MLPAPPSSSA-N 0 0 453.476 4.615 20 5 JJBDRN CC(C)(Cc1cccc(Br)c1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001361056754 1066297623 /nfs/dbraw/zinc/29/76/23/1066297623.db2.gz BEFZJRAAQVUIRF-UHFFFAOYSA-N 0 0 456.134 4.871 20 5 JJBDRN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC001454547201 1066299204 /nfs/dbraw/zinc/29/92/04/1066299204.db2.gz AWZUUFIFFZWDGC-SFHVURJKSA-N 0 0 457.914 4.658 20 5 JJBDRN COc1ccc(C(=O)CNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)cc1[N+](=O)[O-] ZINC001454649286 1066314290 /nfs/dbraw/zinc/31/42/90/1066314290.db2.gz ZOTGBBCUZJSBAZ-QFIPXVFZSA-N 0 0 454.479 4.575 20 5 JJBDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001454653417 1066314971 /nfs/dbraw/zinc/31/49/71/1066314971.db2.gz AYBUXRBXSATYAN-JSGCOSHPSA-N 0 0 456.296 4.629 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)cc1 ZINC001443566347 1066329288 /nfs/dbraw/zinc/32/92/88/1066329288.db2.gz JHDLSWUDOXQKNY-UHFFFAOYSA-N 0 0 451.277 4.539 20 5 JJBDRN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N(CC1CCCCC1)CC1CCCCC1 ZINC001361093833 1066344582 /nfs/dbraw/zinc/34/45/82/1066344582.db2.gz PIFLUQQGXMHWKU-UHFFFAOYSA-N 0 0 455.555 4.851 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001545961393 1066356371 /nfs/dbraw/zinc/35/63/71/1066356371.db2.gz UXURDSYNGSLHPC-ZHALLVOQSA-N 0 0 472.590 4.639 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001455101034 1066360954 /nfs/dbraw/zinc/36/09/54/1066360954.db2.gz KEPXHEOYUHIZGD-QFIPXVFZSA-N 0 0 453.967 4.960 20 5 JJBDRN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NC(C1CCCCC1)C1CCCCC1 ZINC001455176564 1066367882 /nfs/dbraw/zinc/36/78/82/1066367882.db2.gz IMJUVZKMGZENIT-UHFFFAOYSA-N 0 0 458.588 4.529 20 5 JJBDRN Nc1c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001443876594 1066379691 /nfs/dbraw/zinc/37/96/91/1066379691.db2.gz DYWAQVHJBUESBP-QGZVFWFLSA-N 0 0 456.905 4.517 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1Cl ZINC001455406093 1066387063 /nfs/dbraw/zinc/38/70/63/1066387063.db2.gz AYFUXYKGHAIVAI-QGZVFWFLSA-N 0 0 459.930 4.648 20 5 JJBDRN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccncc1Br ZINC001455444470 1066390658 /nfs/dbraw/zinc/39/06/58/1066390658.db2.gz BPAKPCPREQJFEK-AWEZNQCLSA-N 0 0 456.296 4.822 20 5 JJBDRN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001444006411 1066394072 /nfs/dbraw/zinc/39/40/72/1066394072.db2.gz YRBRRHQFEQBYNP-UHFFFAOYSA-N 0 0 459.506 4.637 20 5 JJBDRN CCc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)CC2)cc1 ZINC001361132131 1066401599 /nfs/dbraw/zinc/40/15/99/1066401599.db2.gz ICRXMJPEJKAZRO-BGYRXZFFSA-N 0 0 450.583 4.602 20 5 JJBDRN Cc1cc(CN(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])cc(C)c1OCc1ccccc1Cl ZINC001444101730 1066406398 /nfs/dbraw/zinc/40/63/98/1066406398.db2.gz JFLSABRFLJHSOS-UHFFFAOYSA-N 0 0 454.914 4.693 20 5 JJBDRN O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001455677316 1066423482 /nfs/dbraw/zinc/42/34/82/1066423482.db2.gz JFYAMWCBUHMSIZ-UHFFFAOYSA-N 0 0 454.408 4.918 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001455713359 1066425506 /nfs/dbraw/zinc/42/55/06/1066425506.db2.gz UIZMNUIVLSRQCO-KRWDZBQOSA-N 0 0 453.520 4.503 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC001361145029 1066427433 /nfs/dbraw/zinc/42/74/33/1066427433.db2.gz XCMJIVSCQAXDPW-UHFFFAOYSA-N 0 0 456.882 4.645 20 5 JJBDRN CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001455791996 1066432305 /nfs/dbraw/zinc/43/23/05/1066432305.db2.gz KMVRWYKEWLATCC-UHFFFAOYSA-N 0 0 451.882 4.554 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)c1 ZINC001455888233 1066446678 /nfs/dbraw/zinc/44/66/78/1066446678.db2.gz DUJTVRPXMRWJSN-UHFFFAOYSA-N 0 0 459.261 4.713 20 5 JJBDRN COc1cc(C(=O)O[C@H](c2cc(Br)ccc2F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001361153539 1066449999 /nfs/dbraw/zinc/44/99/99/1066449999.db2.gz IQRLXBUVVFAHEL-CQSZACIVSA-N 0 0 452.154 4.965 20 5 JJBDRN Cn1ccc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)n1 ZINC001455913697 1066450417 /nfs/dbraw/zinc/45/04/17/1066450417.db2.gz QEHZTCOGKCOBDQ-QGZVFWFLSA-N 0 0 453.930 4.614 20 5 JJBDRN CC(C)COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001455945655 1066456848 /nfs/dbraw/zinc/45/68/48/1066456848.db2.gz OLGRIFFDRAUUSQ-UHFFFAOYSA-N 0 0 451.445 4.611 20 5 JJBDRN CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001455958718 1066460761 /nfs/dbraw/zinc/46/07/61/1066460761.db2.gz HHYHDNFNOKJAHF-HNNXBMFYSA-N 0 0 452.292 4.649 20 5 JJBDRN CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001361158326 1066461317 /nfs/dbraw/zinc/46/13/17/1066461317.db2.gz QIGRZXQSENWUGJ-INIZCTEOSA-N 0 0 456.486 4.993 20 5 JJBDRN O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001456020205 1066476401 /nfs/dbraw/zinc/47/64/01/1066476401.db2.gz RBNVHRCZHCUMOG-KRWDZBQOSA-N 0 0 458.312 4.759 20 5 JJBDRN CCCCOCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001444622254 1066485257 /nfs/dbraw/zinc/48/52/57/1066485257.db2.gz VEMZQBUICBKKDG-UHFFFAOYSA-N 0 0 453.337 4.667 20 5 JJBDRN O=C(NC[C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001444672160 1066491725 /nfs/dbraw/zinc/49/17/25/1066491725.db2.gz PWRFUZBUIBEQTI-QGZVFWFLSA-N 0 0 456.951 4.980 20 5 JJBDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC001361179665 1066500576 /nfs/dbraw/zinc/50/05/76/1066500576.db2.gz BKVMMASUGLTXKA-LBPRGKRZSA-N 0 0 455.437 4.724 20 5 JJBDRN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC001456071147 1066502111 /nfs/dbraw/zinc/50/21/11/1066502111.db2.gz HEGRJRDLAPZPTP-FQEVSTJZSA-N 0 0 455.312 4.707 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001456071263 1066502157 /nfs/dbraw/zinc/50/21/57/1066502157.db2.gz AFXYHCOLCNXFDS-ZDUSSCGKSA-N 0 0 452.736 4.975 20 5 JJBDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])CCO2 ZINC001444851600 1066512434 /nfs/dbraw/zinc/51/24/34/1066512434.db2.gz FHNTTXBTLXEWFO-IBGZPJMESA-N 0 0 450.495 4.616 20 5 JJBDRN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2Cl)c(OC)c1 ZINC001444888670 1066516367 /nfs/dbraw/zinc/51/63/67/1066516367.db2.gz BWHWNAPETLUQSP-NRFANRHFSA-N 0 0 459.861 4.506 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001444910356 1066517672 /nfs/dbraw/zinc/51/76/72/1066517672.db2.gz SNWXSQVGKPNHEH-QGZVFWFLSA-N 0 0 456.543 4.768 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC001444964145 1066523332 /nfs/dbraw/zinc/52/33/32/1066523332.db2.gz BADLZTBQYCXUDL-DIFFPNOSSA-N 0 0 454.239 4.562 20 5 JJBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccc(Cl)c(Cl)c1Cl ZINC001456167194 1066527155 /nfs/dbraw/zinc/52/71/55/1066527155.db2.gz ADIFBWGOQXDGAS-LLVKDONJSA-N 0 0 458.729 4.883 20 5 JJBDRN O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001456171658 1066528392 /nfs/dbraw/zinc/52/83/92/1066528392.db2.gz JGHFHAVPXQBLMY-HXUWFJFHSA-N 0 0 459.424 4.689 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)c1 ZINC001456199192 1066535905 /nfs/dbraw/zinc/53/59/05/1066535905.db2.gz CBNRGDJNMYJLPA-NRFANRHFSA-N 0 0 454.502 4.511 20 5 JJBDRN O=C(C[C@@H]1CCCCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001445267224 1066549968 /nfs/dbraw/zinc/54/99/68/1066549968.db2.gz DKRPTHBLTFJLRH-SFHVURJKSA-N 0 0 459.340 4.944 20 5 JJBDRN CC(C)(C)c1cnc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC001445425852 1066569981 /nfs/dbraw/zinc/56/99/81/1066569981.db2.gz KPTCIDJZLNKIRH-UHFFFAOYSA-N 0 0 459.506 4.592 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001456386932 1066575195 /nfs/dbraw/zinc/57/51/95/1066575195.db2.gz IUVWFDBZNDQLHF-NRFANRHFSA-N 0 0 451.910 4.561 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC001456392584 1066576433 /nfs/dbraw/zinc/57/64/33/1066576433.db2.gz NTFXMHXWBZLWEW-MRXNPFEDSA-N 0 0 456.545 4.688 20 5 JJBDRN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1 ZINC001361236476 1066577114 /nfs/dbraw/zinc/57/71/14/1066577114.db2.gz COXCVDIIVGCRJA-MBOZVWFJSA-N 0 0 455.559 4.951 20 5 JJBDRN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)no1 ZINC001361236473 1066577318 /nfs/dbraw/zinc/57/73/18/1066577318.db2.gz COXCVDIIVGCRJA-FUHIMQAGSA-N 0 0 455.559 4.951 20 5 JJBDRN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOCC(F)F)o1 ZINC001361238610 1066579350 /nfs/dbraw/zinc/57/93/50/1066579350.db2.gz WKSLGWPNOKNOCS-SFHVURJKSA-N 0 0 461.469 4.768 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001456401137 1066579363 /nfs/dbraw/zinc/57/93/63/1066579363.db2.gz MGZSIIOTVIGFSJ-OAQYLSRUSA-N 0 0 452.850 4.718 20 5 JJBDRN O=C(NCCOc1cccnc1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001456436852 1066585480 /nfs/dbraw/zinc/58/54/80/1066585480.db2.gz AHZFHYDQHYWHQB-UHFFFAOYSA-N 0 0 452.517 4.560 20 5 JJBDRN COc1cc(C(=O)N2CCOC[C@H]2c2ccco2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001456440934 1066587344 /nfs/dbraw/zinc/58/73/44/1066587344.db2.gz AHMIZDBZMUCOTF-KRWDZBQOSA-N 0 0 458.854 4.856 20 5 JJBDRN CCC[C@@H](NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(=O)OC ZINC001456479823 1066594641 /nfs/dbraw/zinc/59/46/41/1066594641.db2.gz YXYRNBASAYEZSD-XCTGESOMSA-N 0 0 453.520 4.593 20 5 JJBDRN COc1cc(Cl)ccc1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001456484572 1066595916 /nfs/dbraw/zinc/59/59/16/1066595916.db2.gz KESVKGMWTWHGOU-UHFFFAOYSA-N 0 0 455.685 4.679 20 5 JJBDRN COc1cc(Cl)ccc1CNC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC001456491346 1066597778 /nfs/dbraw/zinc/59/77/78/1066597778.db2.gz UJJVPWPTKUHNFU-UHFFFAOYSA-N 0 0 456.882 4.774 20 5 JJBDRN COc1cc(C(=O)NC[C@H](O)c2ccccc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001445672452 1066599923 /nfs/dbraw/zinc/59/99/23/1066599923.db2.gz QRXXMRLQGNHMSU-IBGZPJMESA-N 0 0 456.882 4.821 20 5 JJBDRN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1 ZINC001456500246 1066601703 /nfs/dbraw/zinc/60/17/03/1066601703.db2.gz ZKHGVCFYBQXRFZ-UHFFFAOYSA-N 0 0 450.442 4.954 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)NCc3nc4cccc(C)c4n3C)cc2[N+](=O)[O-])n1 ZINC001445690749 1066604342 /nfs/dbraw/zinc/60/43/42/1066604342.db2.gz SCHWEEHQIJBASR-UHFFFAOYSA-N 0 0 453.549 4.636 20 5 JJBDRN CCCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001456545466 1066621330 /nfs/dbraw/zinc/62/13/30/1066621330.db2.gz CGJIQCBGOBOQLK-RBUKOAKNSA-N 0 0 456.486 4.795 20 5 JJBDRN CN(c1ccccc1)C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001361270567 1066624237 /nfs/dbraw/zinc/62/42/37/1066624237.db2.gz XIYZFCVTKNARRA-UHFFFAOYSA-N 0 0 450.461 4.543 20 5 JJBDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001456573311 1066629166 /nfs/dbraw/zinc/62/91/66/1066629166.db2.gz ZUXTYVYEOSTNDP-NYHFZMIOSA-N 0 0 456.930 4.616 20 5 JJBDRN Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(OCCC(C)C)CC2)cn1 ZINC001361273526 1066630228 /nfs/dbraw/zinc/63/02/28/1066630228.db2.gz STMGAKSQNHQHHW-UHFFFAOYSA-N 0 0 464.570 4.637 20 5 JJBDRN C[C@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC001361274655 1066631637 /nfs/dbraw/zinc/63/16/37/1066631637.db2.gz LIEVMIAIVZALIW-KODHJQJWSA-N 0 0 463.456 4.969 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001456583984 1066632976 /nfs/dbraw/zinc/63/29/76/1066632976.db2.gz FRDKGLQBEDDVNI-YYPMSMPVSA-N 0 0 451.523 4.646 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001456604986 1066640884 /nfs/dbraw/zinc/64/08/84/1066640884.db2.gz WIIBVGBLCFGFKZ-QZTJIDSGSA-N 0 0 459.930 4.900 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(Br)c(F)cc2C1 ZINC001456607634 1066641592 /nfs/dbraw/zinc/64/15/92/1066641592.db2.gz NKQFIQRTSQXBDK-UHFFFAOYSA-N 0 0 457.683 4.504 20 5 JJBDRN Cc1ccc(NCCCNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC001456622123 1066647752 /nfs/dbraw/zinc/64/77/52/1066647752.db2.gz HKZNITQXXRPQMZ-CQSZACIVSA-N 0 0 452.324 4.602 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cccn(C2CC2)c1=O ZINC001456640463 1066655426 /nfs/dbraw/zinc/65/54/26/1066655426.db2.gz OAZWONUWHRISCA-UHFFFAOYSA-N 0 0 457.845 4.606 20 5 JJBDRN CCC[C@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nc(C)c(C(=O)OCC)s1 ZINC001456644015 1066656000 /nfs/dbraw/zinc/65/60/00/1066656000.db2.gz UVXZQTOKUHGTDM-LBPRGKRZSA-N 0 0 453.948 4.954 20 5 JJBDRN NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001446224126 1066675757 /nfs/dbraw/zinc/67/57/57/1066675757.db2.gz ABSOVNBHUMFVNS-UHFFFAOYSA-N 0 0 459.506 4.680 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC001456754090 1066681346 /nfs/dbraw/zinc/68/13/46/1066681346.db2.gz ZJTAEDDGKRXRIN-HXUWFJFHSA-N 0 0 457.552 4.779 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC001456753918 1066681389 /nfs/dbraw/zinc/68/13/89/1066681389.db2.gz ZJTAEDDGKRXRIN-FQEVSTJZSA-N 0 0 457.552 4.779 20 5 JJBDRN CN(C(=O)c1ccc(Cl)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1)c1ccccc1 ZINC001456762480 1066682571 /nfs/dbraw/zinc/68/25/71/1066682571.db2.gz HXCDAQWFTLLFLA-UHFFFAOYSA-N 0 0 452.898 4.966 20 5 JJBDRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1I ZINC001456780560 1066688452 /nfs/dbraw/zinc/68/84/52/1066688452.db2.gz GFFCRLOFKRBHLF-UHFFFAOYSA-N 0 0 450.154 4.557 20 5 JJBDRN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001446306957 1066689009 /nfs/dbraw/zinc/68/90/09/1066689009.db2.gz FSSPDKGKJWRQJM-IBGZPJMESA-N 0 0 456.886 4.594 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001446488360 1066710093 /nfs/dbraw/zinc/71/00/93/1066710093.db2.gz ROQKKFCICGMHCF-DNVCBOLYSA-N 0 0 451.292 4.533 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 ZINC001492636603 1066721613 /nfs/dbraw/zinc/72/16/13/1066721613.db2.gz DXCXUCGHQIQHFB-KXBFYZLASA-N 0 0 470.599 4.673 20 5 JJBDRN Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 ZINC001492637709 1066724643 /nfs/dbraw/zinc/72/46/43/1066724643.db2.gz XVFBWLWBVDGMMV-HNNXBMFYSA-N 0 0 470.599 4.816 20 5 JJBDRN O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001456935450 1066725437 /nfs/dbraw/zinc/72/54/37/1066725437.db2.gz VQGPHNAORXCKGM-VQTJNVASSA-N 0 0 450.413 4.667 20 5 JJBDRN Cc1cc(CSc2ccccc2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001456935830 1066725503 /nfs/dbraw/zinc/72/55/03/1066725503.db2.gz WEOBMISHVWPQFC-UHFFFAOYSA-N 0 0 453.520 4.867 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2c(F)cc(Br)cc2F)cc1[N+](=O)[O-] ZINC001456945057 1066727622 /nfs/dbraw/zinc/72/76/22/1066727622.db2.gz VYROTAFRLHTURB-UHFFFAOYSA-N 0 0 450.033 4.959 20 5 JJBDRN COC(=O)c1ccc(Br)c(C)c1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001456978672 1066734543 /nfs/dbraw/zinc/73/45/43/1066734543.db2.gz OXNFKHCDRXNZPY-UHFFFAOYSA-N 0 0 455.692 4.677 20 5 JJBDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC001456988755 1066737068 /nfs/dbraw/zinc/73/70/68/1066737068.db2.gz KLPYNUPKVUKZMB-QFIPXVFZSA-N 0 0 450.466 4.838 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001492644322 1066741592 /nfs/dbraw/zinc/74/15/92/1066741592.db2.gz KFPNCBMPKACNQN-UHFFFAOYSA-N 0 0 463.567 4.673 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H]2CCSC2)n1 ZINC001492644351 1066742169 /nfs/dbraw/zinc/74/21/69/1066742169.db2.gz LATWLAOWAWXRAR-GOSISDBHSA-N 0 0 458.613 4.583 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H]2CCSC2)n1 ZINC001492644352 1066742347 /nfs/dbraw/zinc/74/23/47/1066742347.db2.gz LATWLAOWAWXRAR-SFHVURJKSA-N 0 0 458.613 4.583 20 5 JJBDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC001457018384 1066744409 /nfs/dbraw/zinc/74/44/09/1066744409.db2.gz UQIRMHQDOSRQHE-UGSOOPFHSA-N 0 0 450.333 4.695 20 5 JJBDRN Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCCC2(C)C)c1 ZINC001492645896 1066748064 /nfs/dbraw/zinc/74/80/64/1066748064.db2.gz MWIGCYIRTIVJND-QHCPKHFHSA-N 0 0 455.584 4.801 20 5 JJBDRN Cc1c(C(=O)Nc2cc(Br)cc(OC(C)C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001457042325 1066750986 /nfs/dbraw/zinc/75/09/86/1066750986.db2.gz WPNKLYYTDSCMRY-UHFFFAOYSA-N 0 0 452.261 4.922 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)Cc1cccc(Br)c1 ZINC001457098062 1066761373 /nfs/dbraw/zinc/76/13/73/1066761373.db2.gz UYSCVJCRUIYFKL-LBPRGKRZSA-N 0 0 455.736 4.916 20 5 JJBDRN Cc1nc(C)c(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2ccsc2)s1 ZINC001492654762 1066764826 /nfs/dbraw/zinc/76/48/26/1066764826.db2.gz BKEDVRKRJLWARU-UHFFFAOYSA-N 0 0 454.581 4.867 20 5 JJBDRN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001457123628 1066767636 /nfs/dbraw/zinc/76/76/36/1066767636.db2.gz HSUIIOXYARPTGF-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccc(I)cc1 ZINC001447103395 1066773259 /nfs/dbraw/zinc/77/32/59/1066773259.db2.gz CSOWCJFXVLIAJA-INIZCTEOSA-N 0 0 456.667 4.830 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC001457171475 1066779765 /nfs/dbraw/zinc/77/97/65/1066779765.db2.gz YGUPGIUWPATOIG-QZTJIDSGSA-N 0 0 454.527 4.738 20 5 JJBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001457205274 1066789234 /nfs/dbraw/zinc/78/92/34/1066789234.db2.gz SXJJBBNQXOMORA-IBGZPJMESA-N 0 0 456.564 4.936 20 5 JJBDRN Cc1nc(Cc2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001492668503 1066796335 /nfs/dbraw/zinc/79/63/35/1066796335.db2.gz NMQLLPVUNWJHCA-HNNXBMFYSA-N 0 0 495.609 4.629 20 5 JJBDRN CCCC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC001447346281 1066797085 /nfs/dbraw/zinc/79/70/85/1066797085.db2.gz GQKHOTHHPADKKQ-OAHLLOKOSA-N 0 0 450.875 4.511 20 5 JJBDRN Cc1nc(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2Cc2ncccc2C)cs1 ZINC001492669878 1066798642 /nfs/dbraw/zinc/79/86/42/1066798642.db2.gz KCJUBHINFZHRSZ-UHFFFAOYSA-N 0 0 477.594 4.709 20 5 JJBDRN O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001457294877 1066805868 /nfs/dbraw/zinc/80/58/68/1066805868.db2.gz RPZUNAJQDCLEIJ-OAQYLSRUSA-N 0 0 454.385 4.902 20 5 JJBDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC001457458785 1066834688 /nfs/dbraw/zinc/83/46/88/1066834688.db2.gz VCMDCNSHWXZZIZ-UHFFFAOYSA-N 0 0 457.552 4.984 20 5 JJBDRN CCCc1c(NC(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)cnn1-c1ccc(C)cc1 ZINC001447686598 1066841614 /nfs/dbraw/zinc/84/16/14/1066841614.db2.gz FOTRLIASTVJPTD-UHFFFAOYSA-N 0 0 455.902 4.906 20 5 JJBDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(Cl)c(I)c1 ZINC001457543813 1066857273 /nfs/dbraw/zinc/85/72/73/1066857273.db2.gz AZTBFTPSFLEISJ-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN Cc1nccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001492705494 1066865542 /nfs/dbraw/zinc/86/55/42/1066865542.db2.gz HRFFOSNGSWSDLB-FQEVSTJZSA-N 0 0 451.575 4.711 20 5 JJBDRN CC[C@@H](C)n1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1-c1ccccc1 ZINC001457570121 1066866718 /nfs/dbraw/zinc/86/67/18/1066866718.db2.gz BQMZLXJCFBYPSN-MRXNPFEDSA-N 0 0 451.552 4.501 20 5 JJBDRN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1Br ZINC001457634824 1066888123 /nfs/dbraw/zinc/88/81/23/1066888123.db2.gz VXOMGWCDDLHOHD-FQEVSTJZSA-N 0 0 451.280 4.753 20 5 JJBDRN Cc1cccc(C)c1OC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccccc1 ZINC001457664924 1066893250 /nfs/dbraw/zinc/89/32/50/1066893250.db2.gz WQDCPBWBPYELAT-OAQYLSRUSA-N 0 0 451.498 4.967 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC001457694308 1066898997 /nfs/dbraw/zinc/89/89/97/1066898997.db2.gz WCDFYSIMZBXYSX-UHFFFAOYSA-N 0 0 454.527 4.515 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 ZINC001457696091 1066899432 /nfs/dbraw/zinc/89/94/32/1066899432.db2.gz XSOAQEWWGCQDNT-UHFFFAOYSA-N 0 0 453.417 4.933 20 5 JJBDRN COc1cc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001457740077 1066908173 /nfs/dbraw/zinc/90/81/73/1066908173.db2.gz WRWUKXDPJJRITJ-GOSISDBHSA-N 0 0 453.520 4.791 20 5 JJBDRN CC1(c2ccc(Br)cc2)CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001448193388 1066908587 /nfs/dbraw/zinc/90/85/87/1066908587.db2.gz GXKIPFMSJHCYRF-UHFFFAOYSA-N 0 0 459.340 4.901 20 5 JJBDRN O=C(Nc1cnc(Br)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001457751117 1066911217 /nfs/dbraw/zinc/91/12/17/1066911217.db2.gz BIKHLUVJFSTKBV-UHFFFAOYSA-N 0 0 457.103 4.982 20 5 JJBDRN CC1CCN(c2ccc(C(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)cc2[N+](=O)[O-])CC1 ZINC001448237281 1066913660 /nfs/dbraw/zinc/91/36/60/1066913660.db2.gz VPKZBPWKCWXBTI-DNQXCXABSA-N 0 0 453.539 4.766 20 5 JJBDRN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001448434334 1066926670 /nfs/dbraw/zinc/92/66/70/1066926670.db2.gz HBZDUEBWRZRFBD-UHFFFAOYSA-N 0 0 456.276 4.847 20 5 JJBDRN O=C(Nc1cccc(-c2ccc(F)cc2Cl)n1)c1cc([N+](=O)[O-])ncc1Br ZINC001457834771 1066931114 /nfs/dbraw/zinc/93/11/14/1066931114.db2.gz BFWATVLJNBCTSJ-UHFFFAOYSA-N 0 0 451.639 4.859 20 5 JJBDRN Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC001492760806 1066933539 /nfs/dbraw/zinc/93/35/39/1066933539.db2.gz SHYPUMCZCZVYCP-LAUBAEHRSA-N 0 0 451.575 4.772 20 5 JJBDRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001457891072 1066937280 /nfs/dbraw/zinc/93/72/80/1066937280.db2.gz WIORDOYTAAQSIQ-UHFFFAOYSA-N 0 0 457.220 4.619 20 5 JJBDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001448608764 1066941392 /nfs/dbraw/zinc/94/13/92/1066941392.db2.gz ABKOUVLEGPZKHN-IYBDPMFKSA-N 0 0 453.543 4.731 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC001457994745 1066954201 /nfs/dbraw/zinc/95/42/01/1066954201.db2.gz MRGHQBKLLZIRGC-DZGCQCFKSA-N 0 0 456.337 4.769 20 5 JJBDRN CCOc1cc(N2CCN(C(=O)c3sc(C4CCCCC4)nc3C)CC2)ccc1[N+](=O)[O-] ZINC001448822798 1066959945 /nfs/dbraw/zinc/95/99/45/1066959945.db2.gz JYPYZONKAUOHSM-UHFFFAOYSA-N 0 0 458.584 4.769 20 5 JJBDRN Cc1cc(N2CCCC2)ccc1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC001458053325 1066962101 /nfs/dbraw/zinc/96/21/01/1066962101.db2.gz DIGMMHZFXPMSQY-UHFFFAOYSA-N 0 0 458.584 4.812 20 5 JJBDRN Cc1cc(Br)ccc1NC(=O)CN(C)c1cccc(Br)c1[N+](=O)[O-] ZINC001458053735 1066962233 /nfs/dbraw/zinc/96/22/33/1066962233.db2.gz GNZUYJFEJWOUSE-UHFFFAOYSA-N 0 0 457.122 4.503 20 5 JJBDRN COc1cccc(CN(C)c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1 ZINC001458056886 1066963691 /nfs/dbraw/zinc/96/36/91/1066963691.db2.gz FDYRHOGTXFIRDH-UHFFFAOYSA-N 0 0 455.536 4.657 20 5 JJBDRN CSc1cccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC001448895561 1066967996 /nfs/dbraw/zinc/96/79/96/1066967996.db2.gz QJGMULOBCLHIAE-OAHLLOKOSA-N 0 0 450.358 4.796 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC001449030565 1066978088 /nfs/dbraw/zinc/97/80/88/1066978088.db2.gz RVCNPFHCVWQLLO-INIZCTEOSA-N 0 0 452.338 4.764 20 5 JJBDRN CCCN(C(=O)c1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001458112642 1066979497 /nfs/dbraw/zinc/97/94/97/1066979497.db2.gz RTMWJNKOQCGTLT-UHFFFAOYSA-N 0 0 452.555 4.711 20 5 JJBDRN COC(=O)c1cc(C)nc(N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC001458115114 1066980338 /nfs/dbraw/zinc/98/03/38/1066980338.db2.gz KWWXECYGEDXJSI-UHFFFAOYSA-N 0 0 451.445 4.953 20 5 JJBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC001458119841 1066981189 /nfs/dbraw/zinc/98/11/89/1066981189.db2.gz FTPRNRQFFDXGTL-AWEZNQCLSA-N 0 0 452.442 4.731 20 5 JJBDRN Cc1cc(CN(C)c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc(C)c1OCC(F)(F)F ZINC001458121985 1066981623 /nfs/dbraw/zinc/98/16/23/1066981623.db2.gz NYBZQGAWCMGCHF-UHFFFAOYSA-N 0 0 451.445 4.681 20 5 JJBDRN O=C(Nc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1 ZINC001458120959 1066981636 /nfs/dbraw/zinc/98/16/36/1066981636.db2.gz WYCZPVCZQCJTJW-UHFFFAOYSA-N 0 0 459.227 4.968 20 5 JJBDRN Cc1cc(C(=O)NCC(=O)NC2CCC(c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC001449102248 1066982534 /nfs/dbraw/zinc/98/25/34/1066982534.db2.gz HHDGYNXCWBHVCS-UHFFFAOYSA-N 0 0 451.567 4.773 20 5 JJBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001449111119 1066982912 /nfs/dbraw/zinc/98/29/12/1066982912.db2.gz VIWTYYHITMXFKV-DQVLVPHSSA-N 0 0 455.603 4.967 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1cccc(Oc2ccnc(C(N)=O)c2)c1 ZINC001458128299 1066983837 /nfs/dbraw/zinc/98/38/37/1066983837.db2.gz UWTSSMOGXVJREL-UHFFFAOYSA-N 0 0 453.476 4.602 20 5 JJBDRN C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001458136166 1066985095 /nfs/dbraw/zinc/98/50/95/1066985095.db2.gz LTEVXCOULCTSER-LLVKDONJSA-N 0 0 450.460 4.597 20 5 JJBDRN C[S@](=O)Cc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC001449218007 1066990089 /nfs/dbraw/zinc/99/00/89/1066990089.db2.gz SIALJHCNRLULNC-HKBQPEDESA-N 0 0 458.923 4.849 20 5 JJBDRN C[S@@](=O)Cc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC001449218016 1066990127 /nfs/dbraw/zinc/99/01/27/1066990127.db2.gz SIALJHCNRLULNC-WJOKGBTCSA-N 0 0 458.923 4.849 20 5 JJBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001449295707 1066996231 /nfs/dbraw/zinc/99/62/31/1066996231.db2.gz JQXQWPRTNLFHOK-HXUWFJFHSA-N 0 0 453.283 4.988 20 5 JJBDRN O=C1[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC001458183340 1066999003 /nfs/dbraw/zinc/99/90/03/1066999003.db2.gz DDSJSAVAUFKBKQ-OAHLLOKOSA-N 0 0 456.243 4.566 20 5 JJBDRN CS(=O)(=O)c1cccc(Oc2ccc(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)cc2)c1 ZINC001458186489 1067000072 /nfs/dbraw/zinc/00/00/72/1067000072.db2.gz BDZXJZDHMOPJPU-UHFFFAOYSA-N 0 0 453.398 4.948 20 5 JJBDRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001458185684 1067000136 /nfs/dbraw/zinc/00/01/36/1067000136.db2.gz RKNVRHKZRGSIMJ-UHFFFAOYSA-N 0 0 450.442 4.771 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)Nc3cccc4oc(C(F)(F)F)nc43)cc2)c(C)c1[N+](=O)[O-] ZINC001458189577 1067000711 /nfs/dbraw/zinc/00/07/11/1067000711.db2.gz XPOADKYNPMYHFJ-UHFFFAOYSA-N 0 0 459.384 4.869 20 5 JJBDRN COc1cc(CN(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)c(SC)cc1OC ZINC001458201232 1067002120 /nfs/dbraw/zinc/00/21/20/1067002120.db2.gz XSJZUCQYTKCRHX-UHFFFAOYSA-N 0 0 455.536 4.944 20 5 JJBDRN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001458211767 1067003810 /nfs/dbraw/zinc/00/38/10/1067003810.db2.gz TXLXZXHTSLQJNJ-UHFFFAOYSA-N 0 0 456.424 4.638 20 5 JJBDRN COC(=O)c1cc(C)nc(NCc2ccc(-n3cnc4ccccc43)cc2Cl)c1[N+](=O)[O-] ZINC001458254425 1067013161 /nfs/dbraw/zinc/01/31/61/1067013161.db2.gz OHODCFBQWGABLO-UHFFFAOYSA-N 0 0 451.870 4.689 20 5 JJBDRN Cc1c(Br)c(Nc2cnn(-c3ccccc3Br)c2)ncc1[N+](=O)[O-] ZINC001458265581 1067016589 /nfs/dbraw/zinc/01/65/89/1067016589.db2.gz WVCOTDAJZOCQME-UHFFFAOYSA-N 0 0 453.094 4.753 20 5 JJBDRN CC[C@@H](Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C(C)(C)C)Oc1ccccc1F ZINC001546016415 1067023315 /nfs/dbraw/zinc/02/33/15/1067023315.db2.gz DBKBZHNHVWKUSU-SFHVURJKSA-N 0 0 485.564 4.519 20 5 JJBDRN CON(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@@H](C)c1csc(C)n1 ZINC001449798385 1067029433 /nfs/dbraw/zinc/02/94/33/1067029433.db2.gz QUZZPEFOLIGPSA-VIFPVBQESA-N 0 0 456.311 4.617 20 5 JJBDRN Cc1cc(Br)cc2c1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC001458326090 1067031298 /nfs/dbraw/zinc/03/12/98/1067031298.db2.gz KABLDDWBYGHTIN-UHFFFAOYSA-N 0 0 454.118 4.627 20 5 JJBDRN CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1OCC ZINC001449846796 1067032087 /nfs/dbraw/zinc/03/20/87/1067032087.db2.gz BHFQTCOARMSHMR-HXUWFJFHSA-N 0 0 454.523 4.761 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc21 ZINC001449854057 1067032256 /nfs/dbraw/zinc/03/22/56/1067032256.db2.gz MDOAGACOBAZZKS-HXUWFJFHSA-N 0 0 451.523 4.912 20 5 JJBDRN C[C@H](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001449855015 1067032427 /nfs/dbraw/zinc/03/24/27/1067032427.db2.gz OVPRQJLXAPIILG-NRSPTQNISA-N 0 0 459.587 4.974 20 5 JJBDRN COc1ccc(COCCNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC001458376512 1067045921 /nfs/dbraw/zinc/04/59/21/1067045921.db2.gz SZJCXFGAVHOOBU-UHFFFAOYSA-N 0 0 456.882 4.996 20 5 JJBDRN COc1cc(OC)c(C[C@@H](C)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c(OC)c1 ZINC001458379720 1067046567 /nfs/dbraw/zinc/04/65/67/1067046567.db2.gz GENDYEVJQSDTHS-MRXNPFEDSA-N 0 0 450.491 4.895 20 5 JJBDRN Cc1nc(Br)ccc1NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001458385814 1067047559 /nfs/dbraw/zinc/04/75/59/1067047559.db2.gz LEOSTTMBRQKIPR-GFCCVEGCSA-N 0 0 456.300 4.881 20 5 JJBDRN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 ZINC001458394380 1067049955 /nfs/dbraw/zinc/04/99/55/1067049955.db2.gz UOAQEEQHPNILLU-NRFANRHFSA-N 0 0 455.511 4.811 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NCC[C@H]3CCc4ccccc43)c([N+](=O)[O-])c2)CC1 ZINC001458403645 1067053194 /nfs/dbraw/zinc/05/31/94/1067053194.db2.gz CJEZJSMJAYWHNC-SKINQDTJSA-N 0 0 457.596 4.984 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(F)(F)F)CC1)OC ZINC001545773177 1067063865 /nfs/dbraw/zinc/06/38/65/1067063865.db2.gz ZTTVPZNBHOPZIL-UHFFFAOYSA-N 0 0 455.481 4.837 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC001458447318 1067064011 /nfs/dbraw/zinc/06/40/11/1067064011.db2.gz IDRBBXVZBXLMOH-XZOQPEGZSA-N 0 0 455.511 4.859 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001450260907 1067065716 /nfs/dbraw/zinc/06/57/16/1067065716.db2.gz UPPOODZYRNOODS-RTBURBONSA-N 0 0 459.587 4.758 20 5 JJBDRN C[C@@H]1CCC[C@]1(O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001450310551 1067070575 /nfs/dbraw/zinc/07/05/75/1067070575.db2.gz OGNLCNANTRANCD-LFMWVICBSA-N 0 0 451.548 4.803 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001458477212 1067071895 /nfs/dbraw/zinc/07/18/95/1067071895.db2.gz UMIOWPFAHSNLBT-IEBWSBKVSA-N 0 0 460.462 4.847 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCCC3SCCS3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458518794 1067079389 /nfs/dbraw/zinc/07/93/89/1067079389.db2.gz ZLZSIJRFEVOHCQ-UHFFFAOYSA-N 0 0 453.611 4.621 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001450447098 1067080710 /nfs/dbraw/zinc/08/07/10/1067080710.db2.gz XXYWMKGIVMKVOL-ZJSXRUAMSA-N 0 0 458.555 4.817 20 5 JJBDRN COc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001450487053 1067084806 /nfs/dbraw/zinc/08/48/06/1067084806.db2.gz YXRFQAFANDMBRE-KESTWPANSA-N 0 0 450.466 4.998 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCC3)cc1[N+](=O)[O-] ZINC001458544631 1067085201 /nfs/dbraw/zinc/08/52/01/1067085201.db2.gz XRCMDIRNRHWVEG-UHFFFAOYSA-N 0 0 453.495 4.833 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C3CCC3)[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458546827 1067085490 /nfs/dbraw/zinc/08/54/90/1067085490.db2.gz JCHOQMTTZBOOOE-FDDCHVKYSA-N 0 0 459.568 4.630 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001458578827 1067090214 /nfs/dbraw/zinc/09/02/14/1067090214.db2.gz PALRXCWHYOZIFY-UHFFFAOYSA-N 0 0 451.380 4.657 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC001458579547 1067090501 /nfs/dbraw/zinc/09/05/01/1067090501.db2.gz LGWDUXIEJRGLAO-PWSUYJOCSA-N 0 0 457.371 4.753 20 5 JJBDRN CC(C)Oc1ccc(-c2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c(F)c2)cc1 ZINC001450551574 1067090658 /nfs/dbraw/zinc/09/06/58/1067090658.db2.gz KHOFIPMHZWKUDE-UHFFFAOYSA-N 0 0 451.454 4.557 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nc2ccc(F)cc2s1 ZINC001458595702 1067092017 /nfs/dbraw/zinc/09/20/17/1067092017.db2.gz OELFIMNIIZMKTI-UHFFFAOYSA-N 0 0 453.542 4.669 20 5 JJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001450605619 1067094475 /nfs/dbraw/zinc/09/44/75/1067094475.db2.gz LGGRAOGDPMHLMM-XOBRGWDASA-N 0 0 459.296 4.689 20 5 JJBDRN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)c1ccc(F)c(F)c1 ZINC001458685646 1067108873 /nfs/dbraw/zinc/10/88/73/1067108873.db2.gz XIBHZBRFNWKAMU-NRFANRHFSA-N 0 0 451.433 4.782 20 5 JJBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001458688581 1067110210 /nfs/dbraw/zinc/11/02/10/1067110210.db2.gz IIHUGWAKYCETJN-UHFFFAOYSA-N 0 0 453.090 4.531 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1Cl ZINC001450772950 1067118292 /nfs/dbraw/zinc/11/82/92/1067118292.db2.gz ITDBPDLLMPWFSN-UHFFFAOYSA-N 0 0 459.911 4.751 20 5 JJBDRN Cc1cc(Cl)c(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC001545806415 1067122972 /nfs/dbraw/zinc/12/29/72/1067122972.db2.gz HTMNMCFLYUUUFT-HXUWFJFHSA-N 0 0 450.882 4.852 20 5 JJBDRN Cc1nc(N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC001458732964 1067124109 /nfs/dbraw/zinc/12/41/09/1067124109.db2.gz WUMCKMCKYVJONJ-SFHVURJKSA-N 0 0 454.527 4.686 20 5 JJBDRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC001458771650 1067137732 /nfs/dbraw/zinc/13/77/32/1067137732.db2.gz QRAPZUQQEKURJR-UHFFFAOYSA-N 0 0 450.061 4.883 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001458771814 1067138492 /nfs/dbraw/zinc/13/84/92/1067138492.db2.gz DMSMLLSIICIOEN-WBVHZDCISA-N 0 0 458.433 4.881 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)cn1 ZINC001451003023 1067139119 /nfs/dbraw/zinc/13/91/19/1067139119.db2.gz XRGUTUJQFPHJJO-OAHLLOKOSA-N 0 0 454.708 4.538 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C ZINC001458774775 1067140020 /nfs/dbraw/zinc/14/00/20/1067140020.db2.gz DKJOFBNIKQKWRY-UHFFFAOYSA-N 0 0 455.927 4.553 20 5 JJBDRN Cn1c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nnc1[C@H]1COc2ccccc2O1 ZINC001458824955 1067157904 /nfs/dbraw/zinc/15/79/04/1067157904.db2.gz BHLACNJTURAISR-OAHLLOKOSA-N 0 0 453.307 4.835 20 5 JJBDRN Cc1ccc(C(=O)c2c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)sc3c2CCOC3)cc1 ZINC001458840489 1067167435 /nfs/dbraw/zinc/16/74/35/1067167435.db2.gz XCIKQGNXRCNGOW-UHFFFAOYSA-N 0 0 450.516 4.758 20 5 JJBDRN O=C(N1CCC(Oc2cccc(Br)c2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458845382 1067169942 /nfs/dbraw/zinc/16/99/42/1067169942.db2.gz XCMIGZIYFQHEFC-UHFFFAOYSA-N 0 0 459.340 4.849 20 5 JJBDRN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001458961466 1067210011 /nfs/dbraw/zinc/21/00/11/1067210011.db2.gz SUCWHZVQJXEDSH-UHFFFAOYSA-N 0 0 453.236 4.589 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC001452153903 1067210606 /nfs/dbraw/zinc/21/06/06/1067210606.db2.gz QGKQRJFCHPXFRE-XVTZWQNCSA-N 0 0 464.497 4.904 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cc(F)ccc1-c1ccoc1 ZINC001458983153 1067218258 /nfs/dbraw/zinc/21/82/58/1067218258.db2.gz VABVWBNYSKDFCC-UHFFFAOYSA-N 0 0 452.179 4.851 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCCCC[C@@H]1CO ZINC001452528994 1067231955 /nfs/dbraw/zinc/23/19/55/1067231955.db2.gz DXYIIKXRRKOEMA-BKHFDQEPSA-N 0 0 451.548 4.899 20 5 JJBDRN CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001452532129 1067232538 /nfs/dbraw/zinc/23/25/38/1067232538.db2.gz LMIYAQCLCZPFLG-UHFFFAOYSA-N 0 0 453.886 4.759 20 5 JJBDRN CC(C)(C)OC(=O)c1ccc(COc2ccc(I)cc2[N+](=O)[O-])cc1 ZINC001459033948 1067235336 /nfs/dbraw/zinc/23/53/36/1067235336.db2.gz CTNJTWQKRZZYPW-UHFFFAOYSA-N 0 0 455.248 4.734 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cnc1Br ZINC001459067956 1067243384 /nfs/dbraw/zinc/24/33/84/1067243384.db2.gz GWJGKJKXIMPNCT-UHFFFAOYSA-N 0 0 458.268 4.592 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1cc2ccccc2nc1Cl ZINC001459076165 1067245872 /nfs/dbraw/zinc/24/58/72/1067245872.db2.gz SDOJHMQSEWVNHA-UHFFFAOYSA-N 0 0 454.607 4.620 20 5 JJBDRN C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1N ZINC001452805363 1067254174 /nfs/dbraw/zinc/25/41/74/1067254174.db2.gz YUNYATCWQRLVQS-IBGZPJMESA-N 0 0 452.736 4.830 20 5 JJBDRN O=[N+]([O-])c1ccc(OCCSCc2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC001459205095 1067270957 /nfs/dbraw/zinc/27/09/57/1067270957.db2.gz SOXCESFRFAOOSN-UHFFFAOYSA-N 0 0 450.314 4.643 20 5 JJBDRN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC001546048392 1067287996 /nfs/dbraw/zinc/28/79/96/1067287996.db2.gz LNAPCJKOGVKZSX-DVECYGJZSA-N 0 0 484.988 4.928 20 5 JJBDRN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC001546048393 1067288382 /nfs/dbraw/zinc/28/83/82/1067288382.db2.gz LNAPCJKOGVKZSX-NTKDMRAZSA-N 0 0 484.988 4.928 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC001453325401 1067297697 /nfs/dbraw/zinc/29/76/97/1067297697.db2.gz MVLVSADWOMECIZ-MRXNPFEDSA-N 0 0 451.951 4.748 20 5 JJBDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001459355364 1067302311 /nfs/dbraw/zinc/30/23/11/1067302311.db2.gz QNJVDWGSGKKHMA-KRWDZBQOSA-N 0 0 455.946 4.818 20 5 JJBDRN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001453481453 1067308470 /nfs/dbraw/zinc/30/84/70/1067308470.db2.gz XBJRMDVUEFGGSG-MRXNPFEDSA-N 0 0 455.255 4.628 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001453576258 1067315216 /nfs/dbraw/zinc/31/52/16/1067315216.db2.gz INUUHDCVUSNNRJ-WTIAFYNJSA-N 0 0 467.566 4.683 20 5 JJBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC001459415514 1067318536 /nfs/dbraw/zinc/31/85/36/1067318536.db2.gz KRPLELMNJKYRAX-UHFFFAOYSA-N 0 0 459.275 4.732 20 5 JJBDRN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC001453879332 1067333555 /nfs/dbraw/zinc/33/35/55/1067333555.db2.gz QCVDHDWZHKAGIO-OAHLLOKOSA-N 0 0 457.836 4.654 20 5 JJBDRN CNC(=O)CC1(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCCC1 ZINC001453903376 1067335030 /nfs/dbraw/zinc/33/50/30/1067335030.db2.gz FLUJWRBKRSPBJG-UHFFFAOYSA-N 0 0 459.930 4.857 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC001459482655 1067336262 /nfs/dbraw/zinc/33/62/62/1067336262.db2.gz KLJBXWZAJDEDAJ-OAHLLOKOSA-N 0 0 455.305 4.862 20 5 JJBDRN C[C@@H]1SCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1c1ccccc1 ZINC001459491494 1067337443 /nfs/dbraw/zinc/33/74/43/1067337443.db2.gz RHKNCUYLDVBAKG-BTYIYWSLSA-N 0 0 454.577 4.835 20 5 JJBDRN CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001459496796 1067339155 /nfs/dbraw/zinc/33/91/55/1067339155.db2.gz RMQXSICFSAUCAP-LJQANCHMSA-N 0 0 454.315 4.904 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001459511628 1067342073 /nfs/dbraw/zinc/34/20/73/1067342073.db2.gz IHWWZJILSUEZLN-FQEVSTJZSA-N 0 0 454.470 4.699 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)o1 ZINC001459615783 1067364926 /nfs/dbraw/zinc/36/49/26/1067364926.db2.gz OUXIIVFALPPMLW-LJQANCHMSA-N 0 0 454.870 4.627 20 5 JJBDRN Cc1nc([C@H](C)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)oc1-c1ccc(Cl)cc1 ZINC001459674639 1067380349 /nfs/dbraw/zinc/38/03/49/1067380349.db2.gz YDWDHWNFFDCMRH-INIZCTEOSA-N 0 0 454.914 4.731 20 5 JJBDRN CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001459687361 1067383746 /nfs/dbraw/zinc/38/37/46/1067383746.db2.gz APGRSVCIKCQIGF-INIZCTEOSA-N 0 0 452.536 4.906 20 5 JJBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC001459694259 1067386229 /nfs/dbraw/zinc/38/62/29/1067386229.db2.gz GYNNNXBQLAAZGX-KRWDZBQOSA-N 0 0 450.564 4.994 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1SC ZINC001459727872 1067397760 /nfs/dbraw/zinc/39/77/60/1067397760.db2.gz IUFCDQCSGPCKBF-GFCCVEGCSA-N 0 0 456.351 4.641 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459737398 1067400045 /nfs/dbraw/zinc/40/00/45/1067400045.db2.gz XONIQAPUTKPNGF-UHFFFAOYSA-N 0 0 450.413 4.513 20 5 JJBDRN CCc1c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cnn1-c1cccc(Cl)c1 ZINC001459741823 1067402009 /nfs/dbraw/zinc/40/20/09/1067402009.db2.gz HXAIZYLVJKTDTR-UHFFFAOYSA-N 0 0 452.820 4.945 20 5 JJBDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC001459742898 1067402365 /nfs/dbraw/zinc/40/23/65/1067402365.db2.gz QWDCAISZMPQJCJ-OAQYLSRUSA-N 0 0 457.914 4.732 20 5 JJBDRN CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001459751276 1067406317 /nfs/dbraw/zinc/40/63/17/1067406317.db2.gz YQLYRJUSERBJHR-UHFFFAOYSA-N 0 0 455.946 4.802 20 5 JJBDRN O=C(N[C@H]1CSc2ccc(Br)cc21)c1c(Br)cccc1[N+](=O)[O-] ZINC001459774293 1067416708 /nfs/dbraw/zinc/41/67/08/1067416708.db2.gz FEXYCBNSXAJXDZ-NSHDSACASA-N 0 0 458.131 4.697 20 5 JJBDRN Cc1cc(Cl)ccc1O[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001459776330 1067417272 /nfs/dbraw/zinc/41/72/72/1067417272.db2.gz UJVBNQWGVKDVRW-QFIPXVFZSA-N 0 0 454.914 4.737 20 5 JJBDRN COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC001459818458 1067437103 /nfs/dbraw/zinc/43/71/03/1067437103.db2.gz KHZDUGYTDFCPAJ-BTYIYWSLSA-N 0 0 452.536 4.749 20 5 JJBDRN CN(C)c1cc(F)c(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1[N+](=O)[O-] ZINC001459829185 1067442635 /nfs/dbraw/zinc/44/26/35/1067442635.db2.gz TUKHPGCWYQKXSL-ZDUSSCGKSA-N 0 0 455.317 4.506 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)c1ncc2c(n1)-c1ccccc1SC2 ZINC001459880025 1067470759 /nfs/dbraw/zinc/47/07/59/1067470759.db2.gz HGIOMVHCYNEXPC-LBPRGKRZSA-N 0 0 456.911 4.741 20 5 JJBDRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001459948902 1067503511 /nfs/dbraw/zinc/50/35/11/1067503511.db2.gz GCQOZKFCPVGWOJ-UHFFFAOYSA-N 0 0 455.240 4.606 20 5 JJBDRN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001459964259 1067509625 /nfs/dbraw/zinc/50/96/25/1067509625.db2.gz YAPCBJDHKHKSNK-HNNXBMFYSA-N 0 0 453.308 4.686 20 5 JJBDRN O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001459976217 1067512634 /nfs/dbraw/zinc/51/26/34/1067512634.db2.gz CWDKPQBKUQYGHS-QGZVFWFLSA-N 0 0 453.720 4.908 20 5 JJBDRN Cn1cnnc1Sc1ccc(C(=O)N(Cc2ccccc2Cl)CC2CC2)cc1[N+](=O)[O-] ZINC001459976961 1067512880 /nfs/dbraw/zinc/51/28/80/1067512880.db2.gz PMAQYTZVGZSLMZ-UHFFFAOYSA-N 0 0 457.943 4.580 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc([N+](=O)[O-])c1 ZINC001459996065 1067519420 /nfs/dbraw/zinc/51/94/20/1067519420.db2.gz RQMLQVPQQZBMQY-HNNXBMFYSA-N 0 0 450.413 4.810 20 5 JJBDRN COc1ccc(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001459999008 1067520616 /nfs/dbraw/zinc/52/06/16/1067520616.db2.gz TUWPRKZFUCFVPZ-UHFFFAOYSA-N 0 0 450.335 4.842 20 5 JJBDRN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001460003260 1067522726 /nfs/dbraw/zinc/52/27/26/1067522726.db2.gz DJCXKOJJTLEAHE-UHFFFAOYSA-N 0 0 450.822 4.701 20 5 JJBDRN O=C(CN1CCC(c2cccc(Br)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460019994 1067530472 /nfs/dbraw/zinc/53/04/72/1067530472.db2.gz GXBMFSHVHQWBRZ-UHFFFAOYSA-N 0 0 452.736 4.829 20 5 JJBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC001460082673 1067549407 /nfs/dbraw/zinc/54/94/07/1067549407.db2.gz QLRNPZARVPSHBB-XIKOKIGWSA-N 0 0 458.729 4.517 20 5 JJBDRN Cc1c(NC(=O)CCN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] ZINC001460137804 1067562857 /nfs/dbraw/zinc/56/28/57/1067562857.db2.gz OCRSHKYSSKFHCN-VLIAUNLRSA-N 0 0 451.445 4.713 20 5 JJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001460176139 1067571458 /nfs/dbraw/zinc/57/14/58/1067571458.db2.gz NKJQTWLKOGJRJL-LJQANCHMSA-N 0 0 451.445 4.713 20 5 JJBDRN Cc1nc([C@H](C)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC001460183349 1067573743 /nfs/dbraw/zinc/57/37/43/1067573743.db2.gz TWRHEWJTHXHFNF-INIZCTEOSA-N 0 0 454.914 4.731 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)o1 ZINC001460188935 1067575048 /nfs/dbraw/zinc/57/50/48/1067575048.db2.gz WVYXFVGRXZAMDG-FCHUYYIVSA-N 0 0 450.882 4.863 20 5 JJBDRN COc1cc(C(=O)Nc2ccc3c(ccnc3OC)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460217154 1067581922 /nfs/dbraw/zinc/58/19/22/1067581922.db2.gz LGLYESXRRXZWPZ-UHFFFAOYSA-N 0 0 459.458 4.992 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319814 1067607187 /nfs/dbraw/zinc/60/71/87/1067607187.db2.gz YWYOPXKRVOYGOL-HOJAQTOUSA-N 0 0 453.967 4.675 20 5 JJBDRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001460356505 1067616418 /nfs/dbraw/zinc/61/64/18/1067616418.db2.gz GAHSPSAFBZTHFW-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC001460415223 1067631284 /nfs/dbraw/zinc/63/12/84/1067631284.db2.gz LVHNUQYLCOCSNF-LJQANCHMSA-N 0 0 455.923 4.746 20 5 JJBDRN CCOc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001460429973 1067633238 /nfs/dbraw/zinc/63/32/38/1067633238.db2.gz QQCXDVBBGDGDOZ-UHFFFAOYSA-N 0 0 455.511 4.611 20 5 JJBDRN O=[N+]([O-])c1cccc(CN2CCOC[C@@H]2c2cccc(Br)c2)c1Br ZINC001460456054 1067637535 /nfs/dbraw/zinc/63/75/35/1067637535.db2.gz TWMMZLRZCNXKJP-MRXNPFEDSA-N 0 0 456.134 4.693 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612684 1067672423 /nfs/dbraw/zinc/67/24/23/1067672423.db2.gz WOOGMECXNIHBPK-TZMCWYRMSA-N 0 0 452.736 4.827 20 5 JJBDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612676 1067672586 /nfs/dbraw/zinc/67/25/86/1067672586.db2.gz WOOGMECXNIHBPK-JSGCOSHPSA-N 0 0 452.736 4.827 20 5 JJBDRN COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCOCC1 ZINC001460637430 1067681051 /nfs/dbraw/zinc/68/10/51/1067681051.db2.gz GHNMHOPWXWMSHT-UHFFFAOYSA-N 0 0 450.944 4.572 20 5 JJBDRN O=C(/C(=C\c1cccc(Cl)c1)c1cccs1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001460708775 1067706281 /nfs/dbraw/zinc/70/62/81/1067706281.db2.gz HKLKPLLAANFJEE-SDXDJHTJSA-N 0 0 454.939 4.594 20 5 JJBDRN O=C(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1sc(Br)cc1[N+](=O)[O-] ZINC001460715489 1067707735 /nfs/dbraw/zinc/70/77/35/1067707735.db2.gz KEUVPTOWMIJXGY-UHFFFAOYSA-N 0 0 450.236 4.549 20 5 JJBDRN Cc1c(Br)ccc2c1N(C(=O)c1ccc(Cn3cc([N+](=O)[O-])cn3)cc1)CCC2 ZINC001460724061 1067709801 /nfs/dbraw/zinc/70/98/01/1067709801.db2.gz NMNSQWBFOURQGG-UHFFFAOYSA-N 0 0 455.312 4.504 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460749660 1067715630 /nfs/dbraw/zinc/71/56/30/1067715630.db2.gz WLVMNPUPLKRGGK-WOVHNISZSA-N 0 0 467.566 4.891 20 5 JJBDRN COc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(Cl)n1 ZINC001460758903 1067718143 /nfs/dbraw/zinc/71/81/43/1067718143.db2.gz OTSXMDYFLGQOHA-UHFFFAOYSA-N 0 0 458.824 4.526 20 5 JJBDRN Cc1c(NC(=O)[C@@H](C)N2CCc3cc(Cl)cc(Br)c3C2)cccc1[N+](=O)[O-] ZINC001460831549 1067731453 /nfs/dbraw/zinc/73/14/53/1067731453.db2.gz ALKAOCCPYCQQNA-GFCCVEGCSA-N 0 0 452.736 4.704 20 5 JJBDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC001460832239 1067731513 /nfs/dbraw/zinc/73/15/13/1067731513.db2.gz OJWLHFKBOUEMKO-ROUUACIJSA-N 0 0 459.568 4.786 20 5 JJBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2cc(Br)c(F)cc2C1 ZINC001460873325 1067739630 /nfs/dbraw/zinc/73/96/30/1067739630.db2.gz AAPGMJKKRYZTTN-JTQLQIEISA-N 0 0 456.699 4.535 20 5 JJBDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001460886711 1067743064 /nfs/dbraw/zinc/74/30/64/1067743064.db2.gz NUIJTXHTFXOUQA-QGZVFWFLSA-N 0 0 454.239 4.624 20 5 JJBDRN O=C(Cc1cc(Br)ccc1F)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001460911171 1067746666 /nfs/dbraw/zinc/74/66/66/1067746666.db2.gz ASDSEZKKVOTSNV-HNNXBMFYSA-N 0 0 453.161 4.598 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)c3nc(C(F)(F)F)no3)cc2[N+](=O)[O-])cc1 ZINC001461009330 1067761617 /nfs/dbraw/zinc/76/16/17/1067761617.db2.gz MBHHPMXODBFUPN-NSHDSACASA-N 0 0 452.414 4.947 20 5 JJBDRN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001461041857 1067768032 /nfs/dbraw/zinc/76/80/32/1067768032.db2.gz NFAYIZCDTNIITL-UHFFFAOYSA-N 0 0 459.428 4.654 20 5 JJBDRN CCOc1cc(CNc2cccc(C)n2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001461074442 1067776300 /nfs/dbraw/zinc/77/63/00/1067776300.db2.gz GRALCZVIFPHRNR-UHFFFAOYSA-N 0 0 451.479 4.755 20 5 JJBDRN COc1cc(CNc2cccc(N3CCCCC3=O)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461079888 1067777772 /nfs/dbraw/zinc/77/77/72/1067777772.db2.gz IDDQBJXFORRRDJ-UHFFFAOYSA-N 0 0 453.417 4.674 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)COc3cccc(Cl)c3Cl)cs2)c1 ZINC001461109537 1067783481 /nfs/dbraw/zinc/78/34/81/1067783481.db2.gz HODXLMBXYWDEDY-HNNXBMFYSA-N 0 0 454.335 4.555 20 5 JJBDRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461113323 1067784054 /nfs/dbraw/zinc/78/40/54/1067784054.db2.gz IRQCXSORDIYCNP-HXPMCKFVSA-N 0 0 458.433 4.833 20 5 JJBDRN CC(C)[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001461198716 1067797911 /nfs/dbraw/zinc/79/79/11/1067797911.db2.gz WCGWMCVBFFDXMB-FUHWJXTLSA-N 0 0 456.543 4.507 20 5 JJBDRN COC(=O)NCc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001461204777 1067799009 /nfs/dbraw/zinc/79/90/09/1067799009.db2.gz GBLMXIZLANMUEK-UHFFFAOYSA-N 0 0 457.490 4.916 20 5 JJBDRN O=C(c1cccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1)N1CCC[C@H](CO)C1 ZINC001461312906 1067825922 /nfs/dbraw/zinc/82/59/22/1067825922.db2.gz JEBSVBXYABWYLN-KRWDZBQOSA-N 0 0 451.548 4.780 20 5 JJBDRN CCOC(=O)c1cc(C(=O)Oc2ccc(NC(=O)OC(C)C)cc2Cl)cc([N+](=O)[O-])c1 ZINC001461362683 1067839006 /nfs/dbraw/zinc/83/90/06/1067839006.db2.gz VWDGNWBCRUWSRX-UHFFFAOYSA-N 0 0 450.831 4.601 20 5 JJBDRN Cc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001461413479 1067850089 /nfs/dbraw/zinc/85/00/89/1067850089.db2.gz QNMFVJIUVRUTFY-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN COc1cc(C(=O)Nc2cnc3c(F)cccc3c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461420743 1067852778 /nfs/dbraw/zinc/85/27/78/1067852778.db2.gz DKMHURPLOSRNQD-UHFFFAOYSA-N 0 0 454.439 4.579 20 5 JJBDRN COCC(=O)N1CCc2c1cccc2NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001461424489 1067853279 /nfs/dbraw/zinc/85/32/79/1067853279.db2.gz PCFWHWSLBUUBTK-UHFFFAOYSA-N 0 0 451.454 4.674 20 5 JJBDRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 ZINC001461452431 1067860315 /nfs/dbraw/zinc/86/03/15/1067860315.db2.gz UBBZJCRVPZGGIE-QHCPKHFHSA-N 0 0 454.486 4.951 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001461452668 1067860328 /nfs/dbraw/zinc/86/03/28/1067860328.db2.gz VQNKOLUSNYRKOW-SNVBAGLBSA-N 0 0 450.676 4.965 20 5 JJBDRN O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001461473052 1067866907 /nfs/dbraw/zinc/86/69/07/1067866907.db2.gz QZPNGGFHXHVKSN-JOCHJYFZSA-N 0 0 457.939 4.893 20 5 JJBDRN CNS(=O)(=O)c1cccc(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C ZINC001461493787 1067875452 /nfs/dbraw/zinc/87/54/52/1067875452.db2.gz XYTCTTORIQESAO-UHFFFAOYSA-N 0 0 457.577 4.883 20 5 JJBDRN O=C(CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1 ZINC001546124992 1067879097 /nfs/dbraw/zinc/87/90/97/1067879097.db2.gz QRKSXMPTKWWDOB-UHFFFAOYSA-N 0 0 456.907 4.873 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ncc(F)cc3Br)cc2[N+](=O)[O-])C1 ZINC001461553184 1067886951 /nfs/dbraw/zinc/88/69/51/1067886951.db2.gz TWGOTOYVSOFJGU-TXEJJXNPSA-N 0 0 451.296 4.626 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC(F)(F)c1ccc(Br)cc1 ZINC001461726174 1067926699 /nfs/dbraw/zinc/92/66/99/1067926699.db2.gz DFIWRNDVPUSWFS-UHFFFAOYSA-N 0 0 451.626 4.601 20 5 JJBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001461750951 1067930586 /nfs/dbraw/zinc/93/05/86/1067930586.db2.gz CJKXQJXQXWINMR-HNNXBMFYSA-N 0 0 456.134 4.871 20 5 JJBDRN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC001461871360 1067951743 /nfs/dbraw/zinc/95/17/43/1067951743.db2.gz CPFSVXKXLHNBTL-NFAWXSAZSA-N 0 0 459.465 4.768 20 5 JJBDRN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001546128176 1067962755 /nfs/dbraw/zinc/96/27/55/1067962755.db2.gz ROPVREPHHMGISR-UHFFFAOYSA-N 0 0 473.375 4.781 20 5 JJBDRN O=[N+]([O-])c1sc(CN2CCc3c(F)cc(Br)cc3C2)cc1Br ZINC001461930397 1067963161 /nfs/dbraw/zinc/96/31/61/1067963161.db2.gz VRIGMRFKNFEMOO-UHFFFAOYSA-N 0 0 450.127 4.879 20 5 JJBDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001461942389 1067965490 /nfs/dbraw/zinc/96/54/90/1067965490.db2.gz VBYLCINTOZFOOB-MRXNPFEDSA-N 0 0 451.323 4.536 20 5 JJBDRN O=C(Nc1cc(F)c(Cl)cc1I)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001461943334 1067966050 /nfs/dbraw/zinc/96/60/50/1067966050.db2.gz BWNOYIAVUNBKTK-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN CN(CCCN1c2ccccc2Sc2ccccc21)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001461951599 1067967561 /nfs/dbraw/zinc/96/75/61/1067967561.db2.gz CDWCRRLKOSOCPU-UHFFFAOYSA-N 0 0 451.552 4.678 20 5 JJBDRN COC(=O)c1cc(I)cc(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC001462022166 1067982804 /nfs/dbraw/zinc/98/28/04/1067982804.db2.gz CNLGSZANQLISIS-WUXMJOGZSA-N 0 0 452.248 4.501 20 5 JJBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001462098368 1068001477 /nfs/dbraw/zinc/00/14/77/1068001477.db2.gz UJXGLVXDHUXMCQ-AWEZNQCLSA-N 0 0 453.676 4.717 20 5 JJBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC001462098369 1068001706 /nfs/dbraw/zinc/00/17/06/1068001706.db2.gz UJXGLVXDHUXMCQ-CQSZACIVSA-N 0 0 453.676 4.717 20 5 JJBDRN Cc1c(F)cccc1N(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCO[C@@H]1C ZINC001462118590 1068007823 /nfs/dbraw/zinc/00/78/23/1068007823.db2.gz PVNFRUBGPFXPIQ-BFUOFWGJSA-N 0 0 451.292 4.937 20 5 JJBDRN CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001546129905 1068023734 /nfs/dbraw/zinc/02/37/34/1068023734.db2.gz YINVLEJQSYLEKM-UHFFFAOYSA-N 0 0 459.348 4.771 20 5 JJBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2ccc3occc3c2)cc1 ZINC001462186096 1068024891 /nfs/dbraw/zinc/02/48/91/1068024891.db2.gz ONNUVMRKXVMWLI-UHFFFAOYSA-N 0 0 452.444 4.669 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)c2nccs2)CCOCC1 ZINC001546130813 1068050785 /nfs/dbraw/zinc/05/07/85/1068050785.db2.gz FCXMPSGNNPNKKX-KRWDZBQOSA-N 0 0 470.599 4.757 20 5 JJBDRN COc1cc([N+](=O)[O-])cnc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC001462398646 1068065571 /nfs/dbraw/zinc/06/55/71/1068065571.db2.gz CBYTVRCTRRUKRW-UHFFFAOYSA-N 0 0 457.899 4.672 20 5 JJBDRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001546131473 1068068180 /nfs/dbraw/zinc/06/81/80/1068068180.db2.gz BLGKAFJJBSEUSS-FQEVSTJZSA-N 0 0 451.523 4.534 20 5 JJBDRN COc1cc(C(=O)Nc2c(OC)ccnc2OC)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001462462227 1068079110 /nfs/dbraw/zinc/07/91/10/1068079110.db2.gz BDKVLYNSJZNULF-UHFFFAOYSA-N 0 0 459.842 4.714 20 5 JJBDRN CCSc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cc1 ZINC001462472768 1068081292 /nfs/dbraw/zinc/08/12/92/1068081292.db2.gz UONSDAYTTILVRF-UHFFFAOYSA-N 0 0 456.305 4.550 20 5 JJBDRN CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001462565451 1068099001 /nfs/dbraw/zinc/09/90/01/1068099001.db2.gz FMIUZNCPJKGHQG-CRAIPNDOSA-N 0 0 459.905 4.535 20 5 JJBDRN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001462565461 1068099080 /nfs/dbraw/zinc/09/90/80/1068099080.db2.gz FMIUZNCPJKGHQG-YJBOKZPZSA-N 0 0 459.905 4.535 20 5 JJBDRN CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001462565458 1068099170 /nfs/dbraw/zinc/09/91/70/1068099170.db2.gz FMIUZNCPJKGHQG-QAPCUYQASA-N 0 0 459.905 4.535 20 5 JJBDRN CC(C)(C)[C@H]1CCC[C@](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)(C(F)(F)F)CC1 ZINC001462640624 1068121606 /nfs/dbraw/zinc/12/16/06/1068121606.db2.gz BAERWOAAZYLDMY-VBKZILBWSA-N 0 0 453.465 4.833 20 5 JJBDRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OC(=O)OC1CCOCC1 ZINC001462693287 1068133556 /nfs/dbraw/zinc/13/35/56/1068133556.db2.gz HMTOXFZPTDFZAE-HXUWFJFHSA-N 0 0 454.479 4.670 20 5 JJBDRN CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC001462843018 1068186867 /nfs/dbraw/zinc/18/68/67/1068186867.db2.gz FQJIGNDHJDBIAW-MRXNPFEDSA-N 0 0 459.337 4.952 20 5 JJBDRN COc1c(F)cc(S(=O)(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001462895451 1068206471 /nfs/dbraw/zinc/20/64/71/1068206471.db2.gz KKAHZASVWVNJDI-QGZVFWFLSA-N 0 0 456.904 4.525 20 5 JJBDRN O=C(Nc1ccc(C(F)(F)F)c(I)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001462926827 1068217187 /nfs/dbraw/zinc/21/71/87/1068217187.db2.gz USTMMJGNKVCVLD-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN CC(C)(CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc(Cl)c(Cl)c1 ZINC001462951869 1068226914 /nfs/dbraw/zinc/22/69/14/1068226914.db2.gz OYAKNBLSMJNAPW-UHFFFAOYSA-N 0 0 455.722 4.950 20 5 JJBDRN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001462955919 1068228848 /nfs/dbraw/zinc/22/88/48/1068228848.db2.gz YCLHCMUNEMTJFQ-LJQANCHMSA-N 0 0 454.548 4.567 20 5 JJBDRN COc1ccc(Cl)c2c1N(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CCC2 ZINC001463019423 1068253906 /nfs/dbraw/zinc/25/39/06/1068253906.db2.gz AHJVLFUQAHUKIQ-UHFFFAOYSA-N 0 0 451.715 4.705 20 5 JJBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC001463047837 1068264412 /nfs/dbraw/zinc/26/44/12/1068264412.db2.gz MCUIOQPAQBRENT-UHFFFAOYSA-N 0 0 453.451 4.553 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001463059981 1068270068 /nfs/dbraw/zinc/27/00/68/1068270068.db2.gz AARGBYFPGROGHC-XCLFUZPHSA-N 0 0 457.449 4.523 20 5 JJBDRN O=C(NCc1cnn(CC2CCC2)c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001463075320 1068278637 /nfs/dbraw/zinc/27/86/37/1068278637.db2.gz GEBDQWJBMPHTDY-UHFFFAOYSA-N 0 0 453.930 4.787 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(C(F)(F)F)c1 ZINC001463078313 1068279983 /nfs/dbraw/zinc/27/99/83/1068279983.db2.gz HNWQLULAYSBIJM-INIZCTEOSA-N 0 0 456.467 4.937 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001463080688 1068280739 /nfs/dbraw/zinc/28/07/39/1068280739.db2.gz NSVXTFRCLIBTAV-HXUWFJFHSA-N 0 0 456.564 4.906 20 5 JJBDRN C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463083862 1068282049 /nfs/dbraw/zinc/28/20/49/1068282049.db2.gz CAPRMNHLNNGRMT-GPNNCHTKSA-N 0 0 459.749 4.686 20 5 JJBDRN Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001463165491 1068307903 /nfs/dbraw/zinc/30/79/03/1068307903.db2.gz WNMPEIAOLKUIFP-CYBMUJFWSA-N 0 0 455.820 4.563 20 5 JJBDRN Cc1c(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001463167142 1068308556 /nfs/dbraw/zinc/30/85/56/1068308556.db2.gz MAQMUAHCDFQSBI-GOSISDBHSA-N 0 0 451.401 4.662 20 5 JJBDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463179763 1068310892 /nfs/dbraw/zinc/31/08/92/1068310892.db2.gz WRTWKIUNSHKFOS-KRWDZBQOSA-N 0 0 455.374 4.698 20 5 JJBDRN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC(c2nc3c(s2)CCC3)CC1 ZINC001463185086 1068313508 /nfs/dbraw/zinc/31/35/08/1068313508.db2.gz WMNZJGJMZLRXLP-UHFFFAOYSA-N 0 0 455.458 4.501 20 5 JJBDRN CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463253701 1068335966 /nfs/dbraw/zinc/33/59/66/1068335966.db2.gz SPQNDHNFZDQCAC-IAGOWNOFSA-N 0 0 453.358 4.704 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)C)CC4)cc2)c(C)c1[N+](=O)[O-] ZINC001463258853 1068337071 /nfs/dbraw/zinc/33/70/71/1068337071.db2.gz WBTFGOYKOFETLJ-SFHVURJKSA-N 0 0 453.568 4.926 20 5 JJBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cc1 ZINC001463310143 1068351620 /nfs/dbraw/zinc/35/16/20/1068351620.db2.gz UBFRBQUCZXJNNF-UHFFFAOYSA-N 0 0 451.342 4.519 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC001463322636 1068355994 /nfs/dbraw/zinc/35/59/94/1068355994.db2.gz PIAUBVVRKJHXFN-LJQANCHMSA-N 0 0 452.319 4.673 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1Cl ZINC001463325903 1068357023 /nfs/dbraw/zinc/35/70/23/1068357023.db2.gz XSJNMXYIDUEJQR-CQSZACIVSA-N 0 0 456.307 4.959 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c1[N+](=O)[O-] ZINC001463335781 1068360390 /nfs/dbraw/zinc/36/03/90/1068360390.db2.gz KZVXAXOWFUZNBI-UHFFFAOYSA-N 0 0 455.266 4.598 20 5 JJBDRN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001463354480 1068368469 /nfs/dbraw/zinc/36/84/69/1068368469.db2.gz AHSNAOFPDIIADH-UQBPGWFLSA-N 0 0 450.560 4.546 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001463364240 1068372413 /nfs/dbraw/zinc/37/24/13/1068372413.db2.gz ZKDCIVLHHIHAIE-BXKMTCNYSA-N 0 0 454.523 4.810 20 5 JJBDRN C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463392072 1068382417 /nfs/dbraw/zinc/38/24/17/1068382417.db2.gz XJVTTZSDZHTPGG-SECBINFHSA-N 0 0 457.257 4.830 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCCCc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC001463424712 1068392471 /nfs/dbraw/zinc/39/24/71/1068392471.db2.gz WCDIWNVSKPCYOF-UHFFFAOYSA-N 0 0 459.749 4.851 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001463427755 1068393592 /nfs/dbraw/zinc/39/35/92/1068393592.db2.gz BNMMZHHKJOPKQX-HZPDHXFCSA-N 0 0 458.458 4.579 20 5 JJBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC001463430228 1068394986 /nfs/dbraw/zinc/39/49/86/1068394986.db2.gz BSSOKQCDRBNBMI-OAHLLOKOSA-N 0 0 452.863 4.703 20 5 JJBDRN Cc1ccc(NC(=O)OC(C)(C)C)c(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC001463462460 1068407544 /nfs/dbraw/zinc/40/75/44/1068407544.db2.gz ZBHVQSHQAQXHCF-UHFFFAOYSA-N 0 0 459.480 4.566 20 5 JJBDRN Cc1cc(S(=O)(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)c(F)cc1[N+](=O)[O-] ZINC001463514556 1068425197 /nfs/dbraw/zinc/42/51/97/1068425197.db2.gz RYUQBKKSHSVLLI-SFHVURJKSA-N 0 0 459.337 4.655 20 5 JJBDRN Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001463532109 1068430184 /nfs/dbraw/zinc/43/01/84/1068430184.db2.gz WFBCLGRVLCZMAU-AWEZNQCLSA-N 0 0 456.364 4.894 20 5 JJBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2N1Cc1ccccc1 ZINC001463533971 1068431514 /nfs/dbraw/zinc/43/15/14/1068431514.db2.gz CIKFXXNPYHRSFY-INIZCTEOSA-N 0 0 457.939 4.852 20 5 JJBDRN Cc1cc(OS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC001463581518 1068455288 /nfs/dbraw/zinc/45/52/88/1068455288.db2.gz UDEUKHFWAMEQNY-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN Cc1ccc(S(=O)(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC001463609563 1068465335 /nfs/dbraw/zinc/46/53/35/1068465335.db2.gz RIIXWTMOVDCXHP-HNNXBMFYSA-N 0 0 450.513 4.565 20 5 JJBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC001463610893 1068465491 /nfs/dbraw/zinc/46/54/91/1068465491.db2.gz PRYUXGLFTRLAAV-QGZVFWFLSA-N 0 0 453.358 4.808 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001463698099 1068497953 /nfs/dbraw/zinc/49/79/53/1068497953.db2.gz YGVBOYLQNDCXTK-SFHVURJKSA-N 0 0 459.351 4.656 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001463703721 1068500378 /nfs/dbraw/zinc/50/03/78/1068500378.db2.gz HSTVOZMHNBVQTK-MRXNPFEDSA-N 0 0 459.749 4.927 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001463710895 1068502138 /nfs/dbraw/zinc/50/21/38/1068502138.db2.gz IRSAKLCNTKNTSX-RDJZCZTQSA-N 0 0 453.358 4.610 20 5 JJBDRN CC(C)=CCOc1cccc(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001463733998 1068507418 /nfs/dbraw/zinc/50/74/18/1068507418.db2.gz WQOHIHKNMHPPQH-UHFFFAOYSA-N 0 0 451.445 4.729 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001463741088 1068509389 /nfs/dbraw/zinc/50/93/89/1068509389.db2.gz NWIBGLDYNIPKGP-UHFFFAOYSA-N 0 0 450.495 4.937 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001463855973 1068548812 /nfs/dbraw/zinc/54/88/12/1068548812.db2.gz XJMQYCSLWXYIQZ-SJLPKXTDSA-N 0 0 453.358 4.623 20 5 JJBDRN CN([C@H]1CCCC[C@@H]1c1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463882065 1068554539 /nfs/dbraw/zinc/55/45/39/1068554539.db2.gz GOLJJAOYBXSBHS-MOPGFXCFSA-N 0 0 453.358 4.704 20 5 JJBDRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC001463997775 1068584433 /nfs/dbraw/zinc/58/44/33/1068584433.db2.gz VTKUSVYIOMYGNK-UHFFFAOYSA-N 0 0 453.882 4.576 20 5 JJBDRN CCOC(=O)c1cc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2Cl)cc([N+](=O)[O-])c1C ZINC001464024817 1068592164 /nfs/dbraw/zinc/59/21/64/1068592164.db2.gz RSNGSTMIUDJUMV-UHFFFAOYSA-N 0 0 455.916 4.799 20 5 JJBDRN Cn1cnnc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC001464063915 1068603545 /nfs/dbraw/zinc/60/35/45/1068603545.db2.gz IRMZXXRIZQFWIF-UHFFFAOYSA-N 0 0 457.943 4.548 20 5 JJBDRN Cc1cc(Br)c(F)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001464089281 1068610835 /nfs/dbraw/zinc/61/08/35/1068610835.db2.gz XPGXJRGRWKPSIF-UHFFFAOYSA-N 0 0 458.183 4.591 20 5 JJBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC001464095964 1068613442 /nfs/dbraw/zinc/61/34/42/1068613442.db2.gz JBISZROUFQLNBN-UHFFFAOYSA-N 0 0 453.930 4.545 20 5 JJBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC001464103128 1068616947 /nfs/dbraw/zinc/61/69/47/1068616947.db2.gz FALYXUWITOQHIE-SFHVURJKSA-N 0 0 452.916 4.785 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1csc2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001464198314 1068652684 /nfs/dbraw/zinc/65/26/84/1068652684.db2.gz ODXZPIIBPUDADE-QHCPKHFHSA-N 0 0 455.536 4.866 20 5 JJBDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464236094 1068668480 /nfs/dbraw/zinc/66/84/80/1068668480.db2.gz IGHHEINHXZVISZ-AAEUAGOBSA-N 0 0 459.749 4.577 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001464240649 1068671336 /nfs/dbraw/zinc/67/13/36/1068671336.db2.gz VGRROUIJGLKMTC-UHFFFAOYSA-N 0 0 457.552 4.875 20 5 JJBDRN CCn1c(C)cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1C ZINC001464246774 1068674669 /nfs/dbraw/zinc/67/46/69/1068674669.db2.gz AYRUHHJECUGCKH-UHFFFAOYSA-N 0 0 452.580 4.720 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC001464290313 1068692813 /nfs/dbraw/zinc/69/28/13/1068692813.db2.gz PDMWMGDFXWMEBG-CQSZACIVSA-N 0 0 456.442 4.917 20 5 JJBDRN Cc1ccc2c(c1)S[C@H](C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001464289070 1068692835 /nfs/dbraw/zinc/69/28/35/1068692835.db2.gz MUIFULKXPNPNBL-UGKGYDQZSA-N 0 0 454.548 4.548 20 5 JJBDRN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001464289044 1068692883 /nfs/dbraw/zinc/69/28/83/1068692883.db2.gz MUIFULKXPNPNBL-DENIHFKCSA-N 0 0 454.548 4.548 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001464292062 1068694381 /nfs/dbraw/zinc/69/43/81/1068694381.db2.gz SKSKGUBVPVYWMK-WIYYLYMNSA-N 0 0 454.548 4.802 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001464292589 1068694964 /nfs/dbraw/zinc/69/49/64/1068694964.db2.gz VUTSILDYGNKXQE-SFHVURJKSA-N 0 0 455.898 4.971 20 5 JJBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1Cl ZINC001464339266 1068712431 /nfs/dbraw/zinc/71/24/31/1068712431.db2.gz YDGJFZYOXZRLQC-MRXNPFEDSA-N 0 0 456.667 4.830 20 5 JJBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc(OC(F)F)c2ncccc12 ZINC001464410470 1068736848 /nfs/dbraw/zinc/73/68/48/1068736848.db2.gz NIAYJPIJLLMZJZ-UHFFFAOYSA-N 0 0 452.211 4.688 20 5 JJBDRN Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001464463879 1068756187 /nfs/dbraw/zinc/75/61/87/1068756187.db2.gz HZRKQGGLELYYFO-LJQANCHMSA-N 0 0 459.344 4.628 20 5 JJBDRN Cc1cc(C)c(S(=O)(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)cc1[N+](=O)[O-] ZINC001464466173 1068756599 /nfs/dbraw/zinc/75/65/99/1068756599.db2.gz RRXAOYLPPORHLF-UHFFFAOYSA-N 0 0 451.614 4.609 20 5 JJBDRN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001464567312 1068784191 /nfs/dbraw/zinc/78/41/91/1068784191.db2.gz XHDMLNUQNIDVRL-LIRRHRJNSA-N 0 0 451.292 4.736 20 5 JJBDRN COc1ccc(COCc2cccc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)c2)cc1 ZINC001464568653 1068785017 /nfs/dbraw/zinc/78/50/17/1068785017.db2.gz GSHAGTXPIGGHMQ-UHFFFAOYSA-N 0 0 450.476 4.577 20 5 JJBDRN CCOCCOc1c(Cl)cccc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001464575729 1068788462 /nfs/dbraw/zinc/78/84/62/1068788462.db2.gz ULMMYJUCEACUQT-UHFFFAOYSA-N 0 0 457.708 4.607 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)Cc2ccc(F)cc2Br)cc1Cl ZINC001464625811 1068802362 /nfs/dbraw/zinc/80/23/62/1068802362.db2.gz QAWGFUYXHOPZQF-UHFFFAOYSA-N 0 0 459.076 4.712 20 5 JJBDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001464648554 1068811077 /nfs/dbraw/zinc/81/10/77/1068811077.db2.gz LGLALKQOZRSHRP-SFHVURJKSA-N 0 0 457.328 4.633 20 5 JJBDRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001464709945 1068833988 /nfs/dbraw/zinc/83/39/88/1068833988.db2.gz QVLNLQMJGKIALM-GOSISDBHSA-N 0 0 457.596 4.998 20 5 JJBDRN Cn1cnc2c1cc(C1CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC1)nc2-c1cccnc1 ZINC001164704349 719881052 /nfs/dbraw/zinc/88/10/52/719881052.db2.gz VQJBNPGXDFGAOQ-UHFFFAOYSA-N 0 0 499.909 4.916 20 5 JJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cnc1Cl ZINC001164822192 720393468 /nfs/dbraw/zinc/39/34/68/720393468.db2.gz KMCANCHECCZSJS-GOSISDBHSA-N 0 0 458.843 4.930 20 5 JJBDRN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164785444 721438349 /nfs/dbraw/zinc/43/83/49/721438349.db2.gz NGXYHLUDDQRQIO-NHCUHLMSSA-N 0 0 487.585 4.747 20 5 JJBDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CCO3)cs1 ZINC001164784961 721443696 /nfs/dbraw/zinc/44/36/96/721443696.db2.gz RBLHFCRVDWHQOF-LIRRHRJNSA-N 0 0 488.944 4.545 20 5 JJBDRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C3)c1 ZINC001164802157 721600935 /nfs/dbraw/zinc/60/09/35/721600935.db2.gz RHUVQYDQIXZJGW-OXQOHEQNSA-N 0 0 452.889 4.715 20 5 JJBDRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C3)c1 ZINC001164798362 721600937 /nfs/dbraw/zinc/60/09/37/721600937.db2.gz FBVJKIWNQSRTPA-JXFKEZNVSA-N 0 0 452.889 4.715 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1CCCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001165051576 721993893 /nfs/dbraw/zinc/99/38/93/721993893.db2.gz JTEYRVRNEUCUBL-AWEZNQCLSA-N 0 0 468.888 4.808 20 5 JJBDRN O=C1CC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)c2ccccc2N1CC1CC1 ZINC001164977128 722160728 /nfs/dbraw/zinc/16/07/28/722160728.db2.gz XHAYXAAKMILUPY-UHFFFAOYSA-N 0 0 476.911 4.873 20 5 JJBDRN CC(C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001359738715 1064303015 /nfs/dbraw/zinc/30/30/15/1064303015.db2.gz BHANSLKCVXQXAU-TZIWHRDSSA-N 0 0 498.628 4.983 20 5 JJBDRN COc1ccccc1Oc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1F ZINC001434869491 1064306987 /nfs/dbraw/zinc/30/69/87/1064306987.db2.gz GQCOLMXLPPELFL-UHFFFAOYSA-N 0 0 454.410 4.948 20 5 JJBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001434896257 1064324261 /nfs/dbraw/zinc/32/42/61/1064324261.db2.gz TXMLLTVOTBZIRQ-UHFFFAOYSA-N 0 0 454.664 4.976 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001434915294 1064341822 /nfs/dbraw/zinc/34/18/22/1064341822.db2.gz IWKJGLSLCUSCCW-UHFFFAOYSA-N 0 0 453.539 4.734 20 5 JJBDRN Cc1cc(Br)cc(C)c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001434931617 1064358308 /nfs/dbraw/zinc/35/83/08/1064358308.db2.gz FSCVIFYEIXNHPF-UHFFFAOYSA-N 0 0 456.134 4.596 20 5 JJBDRN Cc1c([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1-c1ccc(F)cc1 ZINC001434937600 1064362014 /nfs/dbraw/zinc/36/20/14/1064362014.db2.gz GNXQVGLOZSMMHC-ZDUSSCGKSA-N 0 0 451.483 4.843 20 5 JJBDRN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359762647 1064376538 /nfs/dbraw/zinc/37/65/38/1064376538.db2.gz XMASKEYFSROAHM-MCYKXBRJSA-N 0 0 481.519 4.939 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359762650 1064376732 /nfs/dbraw/zinc/37/67/32/1064376732.db2.gz XMASKEYFSROAHM-VUBSUSDNSA-N 0 0 481.519 4.939 20 5 JJBDRN COC(=O)c1cccc(Cc2cnc(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])s2)c1 ZINC001434982239 1064398889 /nfs/dbraw/zinc/39/88/89/1064398889.db2.gz OZANHYCCYRPUJZ-UHFFFAOYSA-N 0 0 459.911 4.653 20 5 JJBDRN CSc1ccc(Cl)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC001435026767 1064444734 /nfs/dbraw/zinc/44/47/34/1064444734.db2.gz LBNZTIMUMDDFAC-UHFFFAOYSA-N 0 0 459.877 4.951 20 5 JJBDRN O=C([C@@H]1CCc2c1cccc2Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001435030553 1064448397 /nfs/dbraw/zinc/44/83/97/1064448397.db2.gz KKBGMKRFUJJQTF-MRXNPFEDSA-N 0 0 453.848 4.646 20 5 JJBDRN CN(C)C(=O)Sc1ccccc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001435041480 1064458030 /nfs/dbraw/zinc/45/80/30/1064458030.db2.gz MRTKFSBWLOHGGV-UHFFFAOYSA-N 0 0 456.446 4.828 20 5 JJBDRN CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC001435042196 1064458991 /nfs/dbraw/zinc/45/89/91/1064458991.db2.gz YJTFGDLQMXTOJB-UHFFFAOYSA-N 0 0 455.511 4.559 20 5 JJBDRN CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001435048524 1064465719 /nfs/dbraw/zinc/46/57/19/1064465719.db2.gz DIXOAVGHIUFILU-VFNWGFHPSA-N 0 0 458.946 4.632 20 5 JJBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2C)cc1OC ZINC001435050626 1064468070 /nfs/dbraw/zinc/46/80/70/1064468070.db2.gz WIRDIKSYLPZCEK-UHFFFAOYSA-N 0 0 452.463 4.982 20 5 JJBDRN CC(C)Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001359811210 1064486628 /nfs/dbraw/zinc/48/66/28/1064486628.db2.gz GXPUPCADJBFGOL-UHFFFAOYSA-N 0 0 473.528 4.583 20 5 JJBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001435067320 1064487643 /nfs/dbraw/zinc/48/76/43/1064487643.db2.gz KGHAGIFZLNSIEA-JOCHJYFZSA-N 0 0 455.898 4.912 20 5 JJBDRN CC(C)c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n(-c2ncccn2)n1 ZINC001435070616 1064492024 /nfs/dbraw/zinc/49/20/24/1064492024.db2.gz JAPZTCCWSNURNI-UHFFFAOYSA-N 0 0 458.478 4.525 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1 ZINC001359817180 1064498915 /nfs/dbraw/zinc/49/89/15/1064498915.db2.gz SAUWZCFMCLTPCW-UHFFFAOYSA-N 0 0 458.522 4.769 20 5 JJBDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1C ZINC001359824181 1064506692 /nfs/dbraw/zinc/50/66/92/1064506692.db2.gz IDBVZBOHVODTGJ-INIZCTEOSA-N 0 0 454.335 4.672 20 5 JJBDRN CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCC1CC(OC(C)(C)C)C1 ZINC001359826984 1064508845 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NPXPNZLOBGESDA-UHFFFAOYSA-N 0 0 455.898 4.731 20 5 JJBDRN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001435297574 1064673638 /nfs/dbraw/zinc/67/36/38/1064673638.db2.gz MYJJFIXCZGLYMN-UHFFFAOYSA-N 0 0 456.401 4.757 20 5 JJBDRN O=C(NCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(F)cc1F ZINC001435301283 1064675930 /nfs/dbraw/zinc/67/59/30/1064675930.db2.gz MCJULLNBIQPWII-UHFFFAOYSA-N 0 0 453.445 4.616 20 5 JJBDRN CS(=O)(=O)c1cc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)c(Cl)cc1Cl ZINC001359934795 1064678523 /nfs/dbraw/zinc/67/85/23/1064678523.db2.gz VZVHOIVZUDKWEX-UHFFFAOYSA-N 0 0 457.335 4.895 20 5 JJBDRN CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC001435308870 1064682606 /nfs/dbraw/zinc/68/26/06/1064682606.db2.gz QYCGLLBIBYXPPQ-HSZRJFAPSA-N 0 0 450.583 4.740 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001435340724 1064709917 /nfs/dbraw/zinc/70/99/17/1064709917.db2.gz SFUOQGLHJPUFCF-YADHBBJMSA-N 0 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CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC001435672375 1064925910 /nfs/dbraw/zinc/92/59/10/1064925910.db2.gz GBKAENFKQTYDCE-ZDUSSCGKSA-N 0 0 456.549 4.820 20 5 JJBDRN COc1ccc(C(=O)N(CC(C)C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)cc1[N+](=O)[O-] ZINC001435674861 1064927867 /nfs/dbraw/zinc/92/78/67/1064927867.db2.gz TUNKUIZLUCSKMG-UHFFFAOYSA-N 0 0 456.480 4.938 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001435675952 1064928622 /nfs/dbraw/zinc/92/86/22/1064928622.db2.gz XPGTZTGCMRXILD-UHFFFAOYSA-N 0 0 450.476 4.886 20 5 JJBDRN Cc1nc(-c2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2Cl)n[nH]1 ZINC001435683733 1064932080 /nfs/dbraw/zinc/93/20/80/1064932080.db2.gz WUFPRADSJLJYMQ-UHFFFAOYSA-N 0 0 455.780 4.535 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC001435684936 1064932755 /nfs/dbraw/zinc/93/27/55/1064932755.db2.gz MHADEEIVQGVLCU-UHFFFAOYSA-N 0 0 455.348 4.667 20 5 JJBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001435692789 1064939414 /nfs/dbraw/zinc/93/94/14/1064939414.db2.gz URBAKNDTHGPQBQ-ORAYPTAESA-N 0 0 451.317 4.651 20 5 JJBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435693284 1064940089 /nfs/dbraw/zinc/94/00/89/1064940089.db2.gz WQZTZJZKFRHIPK-ODXCJYRJSA-N 0 0 458.312 4.599 20 5 JJBDRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001435704719 1064948554 /nfs/dbraw/zinc/94/85/54/1064948554.db2.gz DZPZJPYVJSJFCA-UHFFFAOYSA-N 0 0 457.335 4.726 20 5 JJBDRN CC(C)(C)c1cnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC001435716532 1064952894 /nfs/dbraw/zinc/95/28/94/1064952894.db2.gz BAVGRSHEPKTEFN-UHFFFAOYSA-N 0 0 455.433 4.859 20 5 JJBDRN COC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001360097073 1064973216 /nfs/dbraw/zinc/97/32/16/1064973216.db2.gz UUHLKTVGKWRQNB-SNVBAGLBSA-N 0 0 453.236 4.555 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001435750882 1064975623 /nfs/dbraw/zinc/97/56/23/1064975623.db2.gz KFFYEELTNVPDTJ-JOCHJYFZSA-N 0 0 451.523 4.968 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCCCCC1 ZINC001360115684 1064998502 /nfs/dbraw/zinc/99/85/02/1064998502.db2.gz GMTBXOBILUJIJD-UHFFFAOYSA-N 0 0 452.559 4.682 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2C)cc1[N+](=O)[O-] ZINC001435802018 1064998970 /nfs/dbraw/zinc/99/89/70/1064998970.db2.gz GBKXWWNHJWUVFR-JTQLQIEISA-N 0 0 452.345 4.635 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CSCCS1 ZINC001360116200 1065000102 /nfs/dbraw/zinc/00/01/02/1065000102.db2.gz XSRXTPNRORICCY-WOJBJXKFSA-N 0 0 477.656 4.692 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2cccnc2)n1CC[C@H]1CCCCO1 ZINC001360116712 1065001933 /nfs/dbraw/zinc/00/19/33/1065001933.db2.gz NXNZNFNQSCTINC-HSZRJFAPSA-N 0 0 464.570 4.546 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1 ZINC001360116739 1065001994 /nfs/dbraw/zinc/00/19/94/1065001994.db2.gz OPDUFKSAJUBOCA-JOCHJYFZSA-N 0 0 466.611 4.873 20 5 JJBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001435811326 1065004507 /nfs/dbraw/zinc/00/45/07/1065004507.db2.gz OLFKSSWWBWRXCH-OAHLLOKOSA-N 0 0 458.877 4.504 20 5 JJBDRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccc(C(F)F)n1 ZINC001360118900 1065005349 /nfs/dbraw/zinc/00/53/49/1065005349.db2.gz SDTOSAGARBTKOL-UHFFFAOYSA-N 0 0 469.452 4.637 20 5 JJBDRN CCOc1c(Cl)cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1Cl ZINC001435820653 1065009041 /nfs/dbraw/zinc/00/90/41/1065009041.db2.gz BTSKJDFIUSZJGM-UHFFFAOYSA-N 0 0 454.266 4.627 20 5 JJBDRN COC(=O)c1ccc(OC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1[N+](=O)[O-] ZINC001435825876 1065011275 /nfs/dbraw/zinc/01/12/75/1065011275.db2.gz CKJWHWDXWQGDCS-UHFFFAOYSA-N 0 0 451.357 4.550 20 5 JJBDRN O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001435881410 1065042051 /nfs/dbraw/zinc/04/20/51/1065042051.db2.gz UMLGQXBIQNSSNB-CQSZACIVSA-N 0 0 459.325 4.929 20 5 JJBDRN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC001435884922 1065043775 /nfs/dbraw/zinc/04/37/75/1065043775.db2.gz XYLCSUAULRUTON-UHFFFAOYSA-N 0 0 453.930 4.906 20 5 JJBDRN CCCCN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)cc1 ZINC001435893802 1065049578 /nfs/dbraw/zinc/04/95/78/1065049578.db2.gz DQPRPVPUMXGDRO-UHFFFAOYSA-N 0 0 453.280 4.688 20 5 JJBDRN COc1ccc(OC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001435895187 1065049962 /nfs/dbraw/zinc/04/99/62/1065049962.db2.gz OOTIDTDPAKILBP-MSOLQXFVSA-N 0 0 476.913 4.813 20 5 JJBDRN Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)c1 ZINC001435896087 1065050492 /nfs/dbraw/zinc/05/04/92/1065050492.db2.gz FWNMERZEEJZZRJ-UHFFFAOYSA-N 0 0 454.264 4.532 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)cc(F)c1Br ZINC001435909360 1065058062 /nfs/dbraw/zinc/05/80/62/1065058062.db2.gz OVTNKHYILBOOOB-UHFFFAOYSA-N 0 0 450.033 4.579 20 5 JJBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1cc(F)ccc1-c1ccoc1 ZINC001435921145 1065064278 /nfs/dbraw/zinc/06/42/78/1065064278.db2.gz FYCDUQXQTHUVRN-UHFFFAOYSA-N 0 0 453.163 4.818 20 5 JJBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001360188278 1065073109 /nfs/dbraw/zinc/07/31/09/1065073109.db2.gz PQMAMEQINOMLGK-ZDUSSCGKSA-N 0 0 452.736 4.530 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001360214380 1065083324 /nfs/dbraw/zinc/08/33/24/1065083324.db2.gz IJKCIRURINKTTA-KRWDZBQOSA-N 0 0 455.511 4.764 20 5 JJBDRN O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001435971739 1065087299 /nfs/dbraw/zinc/08/72/99/1065087299.db2.gz YSOGZSDLOSDFQW-UHFFFAOYSA-N 0 0 455.580 4.832 20 5 JJBDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001360225651 1065088508 /nfs/dbraw/zinc/08/85/08/1065088508.db2.gz YZPZCBFWKHAPQX-UHFFFAOYSA-N 0 0 453.539 4.877 20 5 JJBDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)CC2 ZINC001435992141 1065096619 /nfs/dbraw/zinc/09/66/19/1065096619.db2.gz QSQKEDLIAYLVJZ-GOSISDBHSA-N 0 0 450.276 4.740 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cc(Br)ncc1Br ZINC001360261647 1065105576 /nfs/dbraw/zinc/10/55/76/1065105576.db2.gz DKXCAGLORUBVGV-UHFFFAOYSA-N 0 0 450.470 4.696 20 5 JJBDRN CCOC(=O)c1ccccc1N(CC)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001360261937 1065105753 /nfs/dbraw/zinc/10/57/53/1065105753.db2.gz LBFKRCXWMJTSQP-UHFFFAOYSA-N 0 0 456.442 4.936 20 5 JJBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001360267556 1065110835 /nfs/dbraw/zinc/11/08/35/1065110835.db2.gz WZSQGPTUJHBXSP-UHFFFAOYSA-N 0 0 453.882 4.586 20 5 JJBDRN CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001436013953 1065112245 /nfs/dbraw/zinc/11/22/45/1065112245.db2.gz BRXONLXEJWDJNO-WMZHIEFXSA-N 0 0 451.567 4.693 20 5 JJBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1cnc2c(Br)cccc2c1 ZINC001436022264 1065119493 /nfs/dbraw/zinc/11/94/93/1065119493.db2.gz MFKGQKVSJMEKKO-SNVBAGLBSA-N 0 0 451.660 4.932 20 5 JJBDRN Cc1ccc(CN(Cc2ccco2)C(=O)COc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC001436023153 1065120189 /nfs/dbraw/zinc/12/01/89/1065120189.db2.gz PGSJUSTUKGFYSQ-UHFFFAOYSA-N 0 0 459.296 4.867 20 5 JJBDRN COC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(C(F)(F)F)c1 ZINC001360289925 1065126835 /nfs/dbraw/zinc/12/68/35/1065126835.db2.gz YWILMVPRXHOFDJ-MRXNPFEDSA-N 0 0 451.426 4.855 20 5 JJBDRN CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC001436030836 1065127353 /nfs/dbraw/zinc/12/73/53/1065127353.db2.gz XXYPHLVKVSEBJY-JOCHJYFZSA-N 0 0 453.539 4.900 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC001360297046 1065130252 /nfs/dbraw/zinc/13/02/52/1065130252.db2.gz JAARFQBAPRIGQR-UHFFFAOYSA-N 0 0 452.532 4.887 20 5 JJBDRN COc1ccc(-c2nccnc2NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1 ZINC001436038796 1065133414 /nfs/dbraw/zinc/13/34/14/1065133414.db2.gz XTGMQYNMHHJCKB-UHFFFAOYSA-N 0 0 456.458 4.892 20 5 JJBDRN O=C(Nc1ccc(Cl)c2ccncc12)c1cc(I)cc([N+](=O)[O-])c1 ZINC001436054514 1065147538 /nfs/dbraw/zinc/14/75/38/1065147538.db2.gz TYJFZVGKDMAORJ-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC001436059559 1065151269 /nfs/dbraw/zinc/15/12/69/1065151269.db2.gz YWLGXBOYTKIDOY-UHFFFAOYSA-N 0 0 452.555 4.872 20 5 JJBDRN Cc1cc(OCC(=O)O[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC001436063425 1065155046 /nfs/dbraw/zinc/15/50/46/1065155046.db2.gz APCNZKADPALMED-GOSISDBHSA-N 0 0 450.285 4.890 20 5 JJBDRN Cc1cc([C@H]2CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)ccc1Br ZINC001436078310 1065165969 /nfs/dbraw/zinc/16/59/69/1065165969.db2.gz OYNSGPUXDIFFSJ-HXUWFJFHSA-N 0 0 455.312 4.829 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N(C)c3ccc(C(F)(F)F)nn3)cc2[N+](=O)[O-])n1 ZINC001436089245 1065172853 /nfs/dbraw/zinc/17/28/53/1065172853.db2.gz ZQKYMLSDNADVHG-UHFFFAOYSA-N 0 0 455.443 4.596 20 5 JJBDRN Cc1c(NC(=O)c2cc(-c3cnc4[nH]ccc4c3)ccn2)cc(Br)cc1[N+](=O)[O-] ZINC001436104535 1065182886 /nfs/dbraw/zinc/18/28/86/1065182886.db2.gz LJUFWKHTDAQJNW-UHFFFAOYSA-N 0 0 452.268 4.808 20 5 JJBDRN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC001436114417 1065189611 /nfs/dbraw/zinc/18/96/11/1065189611.db2.gz GALHIFUIMIIPLV-UHFFFAOYSA-N 0 0 453.417 4.568 20 5 JJBDRN CSc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001436115367 1065189631 /nfs/dbraw/zinc/18/96/31/1065189631.db2.gz IAUQKNWUCDYRRY-UHFFFAOYSA-N 0 0 456.305 4.502 20 5 JJBDRN CC(C)Oc1ccc(Cn2c(-c3cccnc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC001360355993 1065205989 /nfs/dbraw/zinc/20/59/89/1065205989.db2.gz LKRJPSWXXFVFMR-UHFFFAOYSA-N 0 0 487.564 4.894 20 5 JJBDRN CCc1c(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC001436137384 1065208237 /nfs/dbraw/zinc/20/82/37/1065208237.db2.gz ZOGDAFWPADWQPX-UHFFFAOYSA-N 0 0 452.364 4.762 20 5 JJBDRN CC(C)OCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001360377116 1065238061 /nfs/dbraw/zinc/23/80/61/1065238061.db2.gz YCDBDLMJORCFIE-UHFFFAOYSA-N 0 0 453.465 4.757 20 5 JJBDRN C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001436190418 1065240336 /nfs/dbraw/zinc/24/03/36/1065240336.db2.gz GXNRTBFGLQAJMY-GFCCVEGCSA-N 0 0 459.827 4.858 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)s2)cc1 ZINC001360383963 1065247025 /nfs/dbraw/zinc/24/70/25/1065247025.db2.gz JDGTXUGRYLPCSJ-GFCCVEGCSA-N 0 0 458.515 4.731 20 5 JJBDRN O=C(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001436200942 1065247236 /nfs/dbraw/zinc/24/72/36/1065247236.db2.gz OWYAZBDXBMTCBU-GJZGRUSLSA-N 0 0 450.398 4.754 20 5 JJBDRN CC(C)OCCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001360397469 1065261813 /nfs/dbraw/zinc/26/18/13/1065261813.db2.gz MEEZWLFFRWSVQZ-UHFFFAOYSA-N 0 0 492.399 4.665 20 5 JJBDRN CCc1nc2ccccc2c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1C ZINC001436221364 1065261982 /nfs/dbraw/zinc/26/19/82/1065261982.db2.gz DGNDXQLQFYHQMC-UHFFFAOYSA-N 0 0 454.324 4.975 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001436311100 1065294610 /nfs/dbraw/zinc/29/46/10/1065294610.db2.gz XJELQGGBSAZNRD-HRAATJIYSA-N 0 0 456.564 4.729 20 5 JJBDRN CCN1CCc2nc(NC(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)sc2C1 ZINC000021294402 1065295118 /nfs/dbraw/zinc/29/51/18/1065295118.db2.gz QKZZWOXXHUAFCO-UHFFFAOYSA-N 0 0 461.594 4.598 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(C)nn4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC001360426455 1065296309 /nfs/dbraw/zinc/29/63/09/1065296309.db2.gz PGIYDCDQXCXBSE-UHFFFAOYSA-N 0 0 458.478 4.599 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)c(I)cn1 ZINC001436369330 1065304520 /nfs/dbraw/zinc/30/45/20/1065304520.db2.gz VGLWPJKFXGSKJV-UHFFFAOYSA-N 0 0 457.293 4.657 20 5 JJBDRN CN(Cc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)c1cc2ccccc2o1 ZINC001360433448 1065311976 /nfs/dbraw/zinc/31/19/76/1065311976.db2.gz ZVUVJNMLGZVRSF-UHFFFAOYSA-N 0 0 459.458 4.631 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001436466945 1065325649 /nfs/dbraw/zinc/32/56/49/1065325649.db2.gz KDFCNAANJKEBBC-INIZCTEOSA-N 0 0 455.761 4.946 20 5 JJBDRN O=C(OCc1cc(Br)cnc1Cl)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436496583 1065335428 /nfs/dbraw/zinc/33/54/28/1065335428.db2.gz BBNCQIZVACOKKG-UHFFFAOYSA-N 0 0 454.689 4.886 20 5 JJBDRN Cc1noc(C)c1COc1ccc(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC001360447203 1065336844 /nfs/dbraw/zinc/33/68/44/1065336844.db2.gz OIPSJUBMCBAGGT-QHCPKHFHSA-N 0 0 453.520 4.595 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)cc1[N+](=O)[O-])c1ccccn1 ZINC001436514705 1065339633 /nfs/dbraw/zinc/33/96/33/1065339633.db2.gz DNVVXZVIDPVCDV-LLVKDONJSA-N 0 0 451.430 4.977 20 5 JJBDRN CC(=O)N(c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC001436529589 1065346542 /nfs/dbraw/zinc/34/65/42/1065346542.db2.gz UTBIVQROEUJWHS-CALCHBBNSA-N 0 0 450.539 4.845 20 5 JJBDRN C[C@@H]1CN(c2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCO1 ZINC001360453554 1065348573 /nfs/dbraw/zinc/34/85/73/1065348573.db2.gz MISRZHZDFSVBIU-CYBMUJFWSA-N 0 0 455.458 4.570 20 5 JJBDRN CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001360501819 1065426714 /nfs/dbraw/zinc/42/67/14/1065426714.db2.gz MMJNWILTSLEBRT-UHFFFAOYSA-N 0 0 451.910 4.840 20 5 JJBDRN COc1cc2c(c(OC)c1)N(C(=O)c1ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c1)CCC2 ZINC001436781895 1065440134 /nfs/dbraw/zinc/44/01/34/1065440134.db2.gz GKIJXHQMIHYUEF-IAGOWNOFSA-N 0 0 453.539 4.687 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360506105 1065443129 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/nfs/dbraw/zinc/48/46/77/1065484677.db2.gz VKYNZCXBZAFLFE-UHFFFAOYSA-N 0 0 451.845 4.946 20 5 JJBDRN O=C(OCc1cc(Cl)ccc1I)c1ccc([N+](=O)[O-])cc1Cl ZINC001437020597 1065496813 /nfs/dbraw/zinc/49/68/13/1065496813.db2.gz FQCPEBWCLBLPFJ-UHFFFAOYSA-N 0 0 452.031 4.863 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001437155439 1065516178 /nfs/dbraw/zinc/51/61/78/1065516178.db2.gz WXJQVLOZJALXTD-FFZOFVMBSA-N 0 0 459.587 4.707 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)c1 ZINC001437215006 1065520799 /nfs/dbraw/zinc/52/07/99/1065520799.db2.gz PJWXAFPPVIPIGF-UHFFFAOYSA-N 0 0 458.522 4.769 20 5 JJBDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001360537264 1065521379 /nfs/dbraw/zinc/52/13/79/1065521379.db2.gz ADRFJRZQKXHUDA-XIKOKIGWSA-N 0 0 455.342 4.658 20 5 JJBDRN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccc(-c2sccc2Br)n1 ZINC001437301582 1065534528 /nfs/dbraw/zinc/53/45/28/1065534528.db2.gz KAWMRROFXHLDAF-UHFFFAOYSA-N 0 0 453.705 4.806 20 5 JJBDRN Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001437322209 1065537694 /nfs/dbraw/zinc/53/76/94/1065537694.db2.gz KOJSCDUHRDJJIF-HSZRJFAPSA-N 0 0 456.502 4.621 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001437457788 1065554878 /nfs/dbraw/zinc/55/48/78/1065554878.db2.gz YWOWHKGICBDMPX-SESVDKBCSA-N 0 0 451.523 4.571 20 5 JJBDRN C[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C(=O)OC(C)(C)C ZINC001360566484 1065557383 /nfs/dbraw/zinc/55/73/83/1065557383.db2.gz REZHVXWEZGCMMN-LBPRGKRZSA-N 0 0 452.866 4.774 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc([N+](=O)[O-])c1 ZINC001360572478 1065566337 /nfs/dbraw/zinc/56/63/37/1065566337.db2.gz JTEZAKIUIXBNHS-UHFFFAOYSA-N 0 0 457.442 4.858 20 5 JJBDRN CN1C(=O)C[C@H](C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001437529703 1065568076 /nfs/dbraw/zinc/56/80/76/1065568076.db2.gz XTSZDDRITZCJJX-IFXJQAMLSA-N 0 0 459.289 4.608 20 5 JJBDRN O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001437548155 1065570822 /nfs/dbraw/zinc/57/08/22/1065570822.db2.gz VDBMTVABXYOXRL-LJQANCHMSA-N 0 0 453.720 4.532 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001437548064 1065570878 /nfs/dbraw/zinc/57/08/78/1065570878.db2.gz IJLLSXPLTOAQSM-IEBWSBKVSA-N 0 0 459.930 4.771 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001437547907 1065570975 /nfs/dbraw/zinc/57/09/75/1065570975.db2.gz HRKAFWSPWSLNRM-IEBWSBKVSA-N 0 0 477.920 4.910 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001360585285 1065585272 /nfs/dbraw/zinc/58/52/72/1065585272.db2.gz YWHAIDHQKPUJTP-LJQANCHMSA-N 0 0 459.955 4.818 20 5 JJBDRN C[C@H](Cn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1C(C)(C)C)Sc1ccccc1 ZINC001360588577 1065592854 /nfs/dbraw/zinc/59/28/54/1065592854.db2.gz ZETBFYLKVPAVAV-QGZVFWFLSA-N 0 0 469.615 4.703 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)Oc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC001437714623 1065595163 /nfs/dbraw/zinc/59/51/63/1065595163.db2.gz YDZPVHBWJUTJIY-UHFFFAOYSA-N 0 0 459.483 4.953 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(Br)cc1F ZINC001437809111 1065612743 /nfs/dbraw/zinc/61/27/43/1065612743.db2.gz CCQFCNNSIWRVAG-ZETCQYMHSA-N 0 0 451.170 4.728 20 5 JJBDRN O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001437879631 1065624255 /nfs/dbraw/zinc/62/42/55/1065624255.db2.gz XJMPBHVMFGGEQM-UHFFFAOYSA-N 0 0 459.275 4.665 20 5 JJBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001437945095 1065633476 /nfs/dbraw/zinc/63/34/76/1065633476.db2.gz FOUKPPOLSKOVCK-CQSZACIVSA-N 0 0 453.358 4.839 20 5 JJBDRN CCOc1cc(C(=O)N[C@@H](CC)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC001437953941 1065635410 /nfs/dbraw/zinc/63/54/10/1065635410.db2.gz XFIVQSCFQITLMP-HNNXBMFYSA-N 0 0 451.317 4.516 20 5 JJBDRN Cn1ccnc1C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001437967896 1065638936 /nfs/dbraw/zinc/63/89/36/1065638936.db2.gz NMJWHPWCRMNSKZ-HSZRJFAPSA-N 0 0 456.502 4.621 20 5 JJBDRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001437986308 1065641316 /nfs/dbraw/zinc/64/13/16/1065641316.db2.gz KDGGAWBVIHJGQW-APPDUMDISA-N 0 0 457.335 4.755 20 5 JJBDRN CO[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001438020535 1065652437 /nfs/dbraw/zinc/65/24/37/1065652437.db2.gz FFRGXYUYEZFAQG-NRFANRHFSA-N 0 0 456.564 4.873 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1[N+](=O)[O-])c1ccccn1 ZINC001438167177 1065684068 /nfs/dbraw/zinc/68/40/68/1065684068.db2.gz WDWQWNBUTCZCBC-HZPDHXFCSA-N 0 0 459.506 4.885 20 5 JJBDRN COC(=O)[C@](C)(NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001438222381 1065700139 /nfs/dbraw/zinc/70/01/39/1065700139.db2.gz IISBDNGJNGSIMH-RUZDIDTESA-N 0 0 450.491 4.971 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C1 ZINC001360638818 1065704585 /nfs/dbraw/zinc/70/45/85/1065704585.db2.gz JGVOHUSZNHDYAK-IEBWSBKVSA-N 0 0 484.601 4.783 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C1 ZINC001360638819 1065704707 /nfs/dbraw/zinc/70/47/07/1065704707.db2.gz JGVOHUSZNHDYAK-MJGOQNOKSA-N 0 0 484.601 4.783 20 5 JJBDRN COC[C@H](C)N(C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)c1cc(Cl)ccc1C ZINC001438306299 1065707115 /nfs/dbraw/zinc/70/71/15/1065707115.db2.gz HRRLUROMIRWEJM-KRWDZBQOSA-N 0 0 456.930 4.792 20 5 JJBDRN O=C(Oc1ccc(-c2cccnc2)cc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001438340720 1065712824 /nfs/dbraw/zinc/71/28/24/1065712824.db2.gz APEBZCFWDZADLH-MRXNPFEDSA-N 0 0 457.895 4.582 20 5 JJBDRN O=C(NCc1cc(F)c(Br)cc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001438488212 1065725356 /nfs/dbraw/zinc/72/53/56/1065725356.db2.gz MSDZYFLUIMZGDM-UHFFFAOYSA-N 0 0 454.252 4.689 20 5 JJBDRN COc1cc(C(=O)N[C@H](CCc2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC001438502292 1065726756 /nfs/dbraw/zinc/72/67/56/1065726756.db2.gz PNYBOZYYNSPTCZ-GOSISDBHSA-N 0 0 457.433 4.704 20 5 JJBDRN O=C(OCc1ccc(Br)c(F)c1F)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001438517164 1065728075 /nfs/dbraw/zinc/72/80/75/1065728075.db2.gz FTEOMLJZXRCLPS-UHFFFAOYSA-N 0 0 451.017 4.755 20 5 JJBDRN CN(CC(=O)OCc1csc(C(F)(F)F)c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001438528871 1065728917 /nfs/dbraw/zinc/72/89/17/1065728917.db2.gz NVWMJSPPGDYHLK-UHFFFAOYSA-N 0 0 453.236 4.617 20 5 JJBDRN Cc1cc(=O)c(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC001360659942 1065729025 /nfs/dbraw/zinc/72/90/25/1065729025.db2.gz QOGSVLOEFPIJDH-SFHVURJKSA-N 0 0 454.914 4.620 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC001438599685 1065735633 /nfs/dbraw/zinc/73/56/33/1065735633.db2.gz YHBLCZQJMTVUJU-IBGZPJMESA-N 0 0 451.306 4.866 20 5 JJBDRN O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001360703817 1065741354 /nfs/dbraw/zinc/74/13/54/1065741354.db2.gz LMUVOVMFBSCBCX-UHFFFAOYSA-N 0 0 454.118 4.581 20 5 JJBDRN CCCCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001360705890 1065741862 /nfs/dbraw/zinc/74/18/62/1065741862.db2.gz NNXJCTOFRUIHPX-UHFFFAOYSA-N 0 0 456.255 4.781 20 5 JJBDRN O=C(Nc1ccc(CC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1I ZINC001360729908 1065757276 /nfs/dbraw/zinc/75/72/76/1065757276.db2.gz PMDDBSQYIQTXFP-UHFFFAOYSA-N 0 0 450.154 4.557 20 5 JJBDRN CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001438863545 1065759552 /nfs/dbraw/zinc/75/95/52/1065759552.db2.gz PWVJOLIZLMJEAI-IBGZPJMESA-N 0 0 455.530 4.594 20 5 JJBDRN COc1cc(/C=C\C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1OCc1c(C)noc1C ZINC001439032708 1065778665 /nfs/dbraw/zinc/77/86/65/1065778665.db2.gz PYLJVZGKDRFTAY-KUGGDMIFSA-N 0 0 451.479 4.678 20 5 JJBDRN COc1ccccc1[C@@H]1CSCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001439092745 1065784054 /nfs/dbraw/zinc/78/40/54/1065784054.db2.gz GPNNUWRONDUMCJ-KRWDZBQOSA-N 0 0 451.342 4.686 20 5 JJBDRN O=C(NCc1ccc2oc(=O)[nH]c2c1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001439119901 1065790138 /nfs/dbraw/zinc/79/01/38/1065790138.db2.gz XFNPMTYLUFECOX-UHFFFAOYSA-N 0 0 452.854 4.637 20 5 JJBDRN CC(C)[C@@H]1CCC[C@@](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)(C(F)(F)F)CC1 ZINC001439133034 1065791192 /nfs/dbraw/zinc/79/11/92/1065791192.db2.gz STAJHTDGRYNZFA-IERDGZPVSA-N 0 0 457.493 4.699 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001439397060 1065823544 /nfs/dbraw/zinc/82/35/44/1065823544.db2.gz CGOFHPXBUCMSMI-CQSZACIVSA-N 0 0 459.222 4.534 20 5 JJBDRN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001439392507 1065823673 /nfs/dbraw/zinc/82/36/73/1065823673.db2.gz VWAFLQFMUVULHP-UHFFFAOYSA-N 0 0 454.460 4.524 20 5 JJBDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)[C@@H]2C ZINC001439551248 1065840288 /nfs/dbraw/zinc/84/02/88/1065840288.db2.gz FTBHGKUDLLACTF-CQSZACIVSA-N 0 0 455.902 4.972 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ccc(C)cc2)n1 ZINC001439590383 1065846230 /nfs/dbraw/zinc/84/62/30/1065846230.db2.gz GKFDETPYSMNZRH-UHFFFAOYSA-N 0 0 451.504 4.873 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439638624 1065851790 /nfs/dbraw/zinc/85/17/90/1065851790.db2.gz OWZKAUFJXNWSOB-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN COc1c(C(=O)N(c2ccc(CNC(=O)OC(C)(C)C)cc2C)C2CC2)cccc1[N+](=O)[O-] ZINC001360766433 1065853491 /nfs/dbraw/zinc/85/34/91/1065853491.db2.gz SNAXCMGASCMPBA-UHFFFAOYSA-N 0 0 455.511 4.746 20 5 JJBDRN COc1ccc(-c2cc(C(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])nn2-c2ccccc2)cc1 ZINC001439720373 1065864754 /nfs/dbraw/zinc/86/47/54/1065864754.db2.gz QKOFJSWVMPWPIL-GOSISDBHSA-N 0 0 456.502 4.990 20 5 JJBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)n1 ZINC001439773010 1065873800 /nfs/dbraw/zinc/87/38/00/1065873800.db2.gz PIMABSNLSVJSRG-UHFFFAOYSA-N 0 0 451.321 4.785 20 5 JJBDRN Cc1ccc(-c2noc(CCC(=O)Nc3cc([N+](=O)[O-])cc(C(F)(F)F)c3C)n2)cc1F ZINC001439803887 1065880447 /nfs/dbraw/zinc/88/04/47/1065880447.db2.gz SUAGGCRRMVIDHT-UHFFFAOYSA-N 0 0 452.364 4.991 20 5 JJBDRN Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3c(Br)cccc3[N+](=O)[O-])cc12 ZINC001440007380 1065901893 /nfs/dbraw/zinc/90/18/93/1065901893.db2.gz QDNNFJCQAVXYDF-UHFFFAOYSA-N 0 0 452.268 4.652 20 5 JJBDRN COc1cc(Br)cc2sc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc21 ZINC001440052906 1065907604 /nfs/dbraw/zinc/90/76/04/1065907604.db2.gz REBMFTQRCJOWKE-UHFFFAOYSA-N 0 0 454.327 4.950 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001360793620 1065908326 /nfs/dbraw/zinc/90/83/26/1065908326.db2.gz MEYGKRFSZMSPIW-ZWKOTPCHSA-N 0 0 459.930 4.900 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCCc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC001440082902 1065910772 /nfs/dbraw/zinc/91/07/72/1065910772.db2.gz WGLZUEIJFGALSZ-UHFFFAOYSA-N 0 0 451.342 4.579 20 5 JJBDRN CC1(C)Cc2occc2CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC(F)(F)F)C1 ZINC001360803044 1065914908 /nfs/dbraw/zinc/91/49/08/1065914908.db2.gz SLUUPJJHOJKOHU-UHFFFAOYSA-N 0 0 479.459 4.962 20 5 JJBDRN CN(CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001440231079 1065925665 /nfs/dbraw/zinc/92/56/65/1065925665.db2.gz WXIPOPNFIFMVDZ-MRXNPFEDSA-N 0 0 459.465 4.865 20 5 JJBDRN Cc1c(Cl)ccc2c1N(C(=O)c1cc(I)cc([N+](=O)[O-])c1)CCC2 ZINC001360831669 1065943517 /nfs/dbraw/zinc/94/35/17/1065943517.db2.gz FWOYYCSQOLWPOG-UHFFFAOYSA-N 0 0 456.667 4.754 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)n1 ZINC001360840684 1065949965 /nfs/dbraw/zinc/94/99/65/1065949965.db2.gz BPFDBRGYKUOYIC-JOCHJYFZSA-N 0 0 454.324 4.949 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC001440648011 1065958016 /nfs/dbraw/zinc/95/80/16/1065958016.db2.gz SYFXXPIFUICSMH-UHFFFAOYSA-N 0 0 455.580 4.656 20 5 JJBDRN O=C(Nc1ccc(OC(=O)[C@H]2CCc3cccc(O)c32)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001440665202 1065960730 /nfs/dbraw/zinc/96/07/30/1065960730.db2.gz JGVWXUDLBXDZGC-KRWDZBQOSA-N 0 0 452.850 4.842 20 5 JJBDRN O=C(C[C@@H]1CSc2ccccc2O1)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001440668272 1065961304 /nfs/dbraw/zinc/96/13/04/1065961304.db2.gz WCFVXZDFVPDHKS-LJQANCHMSA-N 0 0 450.472 4.696 20 5 JJBDRN Cc1nc(-c2ccc(CCNC(=O)c3cc(Br)cc([N+](=O)[O-])c3)s2)cs1 ZINC001440713179 1065970153 /nfs/dbraw/zinc/97/01/53/1065970153.db2.gz OYSLSCPSJKINDP-UHFFFAOYSA-N 0 0 452.355 4.823 20 5 JJBDRN C[C@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC001440729050 1065971548 /nfs/dbraw/zinc/97/15/48/1065971548.db2.gz SUNCNVHOJAISKG-LURJTMIESA-N 0 0 451.079 4.876 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001441048253 1066003956 /nfs/dbraw/zinc/00/39/56/1066003956.db2.gz KOFKKWXTJFTWSR-MRXNPFEDSA-N 0 0 456.667 4.830 20 5 JJBDRN Cn1cnnc1[C@H]1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 ZINC001441241686 1066018980 /nfs/dbraw/zinc/01/89/80/1066018980.db2.gz VIALZZYAYNYHDN-AWEZNQCLSA-N 0 0 457.943 4.548 20 5 JJBDRN O=C(Nc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1)c1cccs1 ZINC001360901834 1066055833 /nfs/dbraw/zinc/05/58/33/1066055833.db2.gz CFHFUZNKULNEGG-UHFFFAOYSA-N 0 0 451.504 4.592 20 5 JJBDRN C[C@H](SCc1ccccc1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441741699 1066066452 /nfs/dbraw/zinc/06/64/52/1066066452.db2.gz WKMXKUXRXLTKHU-GHTZIAJQSA-N 0 0 456.564 4.845 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC001441741732 1066066525 /nfs/dbraw/zinc/06/65/25/1066066525.db2.gz WLLVRLJAEJIBGV-HSZRJFAPSA-N 0 0 459.502 4.899 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1snc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001441742373 1066067011 /nfs/dbraw/zinc/06/70/11/1066067011.db2.gz YVLJYSFHYXSZPP-LBPRGKRZSA-N 0 0 458.323 4.600 20 5 JJBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC001360913631 1066070197 /nfs/dbraw/zinc/07/01/97/1066070197.db2.gz DPOIRTWPKLSGPX-FCHUYYIVSA-N 0 0 455.942 4.507 20 5 JJBDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3)C2)cc1 ZINC001360925495 1066081605 /nfs/dbraw/zinc/08/16/05/1066081605.db2.gz HWIJXZDMHJOXFM-QHCPKHFHSA-N 0 0 457.530 4.989 20 5 JJBDRN CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC001360925708 1066081853 /nfs/dbraw/zinc/08/18/53/1066081853.db2.gz OPFZDKQSOUOHCQ-UHFFFAOYSA-N 0 0 452.532 4.553 20 5 JJBDRN O=C(Cc1csc(-c2sccc2Br)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001360945982 1066100615 /nfs/dbraw/zinc/10/06/15/1066100615.db2.gz ICWXBTLGDWOESS-UHFFFAOYSA-N 0 0 450.339 4.674 20 5 JJBDRN Cc1ccsc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001360959790 1066117600 /nfs/dbraw/zinc/11/76/00/1066117600.db2.gz PMPSHMUPLPERGM-GOSISDBHSA-N 0 0 496.637 4.649 20 5 JJBDRN Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C(C)C)C2)cnn1CC(C)C ZINC001360959746 1066117617 /nfs/dbraw/zinc/11/76/17/1066117617.db2.gz OQCYCJAYEMBTCK-QFIPXVFZSA-N 0 0 483.642 4.640 20 5 JJBDRN Cc1cc(C)cc(C[C@H](C)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c1 ZINC001360966042 1066123947 /nfs/dbraw/zinc/12/39/47/1066123947.db2.gz VLHARRXEMAZLII-AVRWGWEMSA-N 0 0 455.555 4.699 20 5 JJBDRN CC(C)(C)c1cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(O)c(C(C)(C)C)c1 ZINC001442404059 1066125142 /nfs/dbraw/zinc/12/51/42/1066125142.db2.gz DXAVGBMHKGCZLH-UHFFFAOYSA-N 0 0 453.583 4.853 20 5 JJBDRN O=C(NCC1(c2ccccc2Br)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001360968424 1066125683 /nfs/dbraw/zinc/12/56/83/1066125683.db2.gz VBHDCKYBWJTHFB-UHFFFAOYSA-N 0 0 454.118 4.581 20 5 JJBDRN CN(CC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001442572371 1066139396 /nfs/dbraw/zinc/13/93/96/1066139396.db2.gz VQFWIOBWNQRHNP-UHFFFAOYSA-N 0 0 458.316 4.576 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001442682345 1066151269 /nfs/dbraw/zinc/15/12/69/1066151269.db2.gz ZJRHIFCEDPRRJJ-IBGZPJMESA-N 0 0 456.564 4.653 20 5 JJBDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001360987853 1066158753 /nfs/dbraw/zinc/15/87/53/1066158753.db2.gz MPFMICFAOZESMT-UHFFFAOYSA-N 0 0 451.504 4.709 20 5 JJBDRN Cc1cc([C@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C2CCC(C)CC2)c(C)o1 ZINC001360997980 1066177012 /nfs/dbraw/zinc/17/70/12/1066177012.db2.gz RUYHBAOZGKQZBX-ZJPVZLNISA-N 0 0 467.570 4.986 20 5 JJBDRN COc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c(Cl)cc1Br ZINC001453980549 1066229028 /nfs/dbraw/zinc/22/90/28/1066229028.db2.gz FVQPKZQMBRKDEI-UHFFFAOYSA-N 0 0 452.648 4.525 20 5 JJBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC001442940460 1066244379 /nfs/dbraw/zinc/24/43/79/1066244379.db2.gz OGOFCCPSXBKWEG-NRFANRHFSA-N 0 0 459.502 4.536 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1F ZINC001361032477 1066246418 /nfs/dbraw/zinc/24/64/18/1066246418.db2.gz BMPWQUFCOTWPJM-JOCHJYFZSA-N 0 0 456.857 4.986 20 5 JJBDRN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001454266535 1066260611 /nfs/dbraw/zinc/26/06/11/1066260611.db2.gz DJJPCRQLBZMCMR-OAQYLSRUSA-N 0 0 454.885 4.928 20 5 JJBDRN CCc1[nH]nc(C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)c1[N+](=O)[O-] ZINC001443098975 1066267390 /nfs/dbraw/zinc/26/73/90/1066267390.db2.gz XXEGQXNGCKJMQD-UHFFFAOYSA-N 0 0 452.902 4.769 20 5 JJBDRN C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Cc1cccs1 ZINC001361062674 1066301802 /nfs/dbraw/zinc/30/18/02/1066301802.db2.gz BSXDXCPXBQNNLX-CQSZACIVSA-N 0 0 455.502 4.887 20 5 JJBDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC001361063127 1066302382 /nfs/dbraw/zinc/30/23/82/1066302382.db2.gz KSPUEHDEUWWCOE-UHFFFAOYSA-N 0 0 455.518 4.872 20 5 JJBDRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001454653414 1066314709 /nfs/dbraw/zinc/31/47/09/1066314709.db2.gz AYBUXRBXSATYAN-GXTWGEPZSA-N 0 0 456.296 4.629 20 5 JJBDRN CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001545959244 1066319059 /nfs/dbraw/zinc/31/90/59/1066319059.db2.gz SEYVLSHXDIPTKI-SFHVURJKSA-N 0 0 489.374 4.538 20 5 JJBDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001443531121 1066324024 /nfs/dbraw/zinc/32/40/24/1066324024.db2.gz JSQYDKCQNFIPCW-UHFFFAOYSA-N 0 0 455.518 4.762 20 5 JJBDRN CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc21 ZINC001454710284 1066324142 /nfs/dbraw/zinc/32/41/42/1066324142.db2.gz HPQJDCJXYHIUKP-MRXNPFEDSA-N 0 0 450.495 4.735 20 5 JJBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C ZINC001454728462 1066327298 /nfs/dbraw/zinc/32/72/98/1066327298.db2.gz DNWNXQKZWPPNQG-INIZCTEOSA-N 0 0 451.589 4.862 20 5 JJBDRN CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H]1CC)NC(=O)OC(C)(C)C ZINC001545960897 1066346224 /nfs/dbraw/zinc/34/62/24/1066346224.db2.gz LQUYTJKRTFZIER-HQRMLTQVSA-N 0 0 472.590 4.781 20 5 JJBDRN Cc1ccc2nc(-c3cccc(NC(=O)CCOc4ccc(Cl)cc4[N+](=O)[O-])c3)[nH]c2n1 ZINC001454998166 1066350513 /nfs/dbraw/zinc/35/05/13/1066350513.db2.gz AQIGQPWCRKZDCP-UHFFFAOYSA-N 0 0 451.870 4.903 20 5 JJBDRN COc1cc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)c([N+](=O)[O-])cc1F ZINC001361102537 1066351970 /nfs/dbraw/zinc/35/19/70/1066351970.db2.gz VVWHOSDGQMAVAU-UHFFFAOYSA-N 0 0 457.321 4.806 20 5 JJBDRN CO[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC001455209519 1066370671 /nfs/dbraw/zinc/37/06/71/1066370671.db2.gz PBGCLARUWPRTNS-IBGZPJMESA-N 0 0 457.836 4.654 20 5 JJBDRN Nc1c(C(=O)NCc2ccc3ccc(Br)cc3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001455254430 1066375840 /nfs/dbraw/zinc/37/58/40/1066375840.db2.gz NNYLMVSVFCJRDF-UHFFFAOYSA-N 0 0 452.667 4.815 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001443869803 1066378819 /nfs/dbraw/zinc/37/88/19/1066378819.db2.gz ISBQDQWOZYKJAS-HBMCJLEFSA-N 0 0 453.495 4.829 20 5 JJBDRN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001443993982 1066391945 /nfs/dbraw/zinc/39/19/45/1066391945.db2.gz YAKRBGYTKLKVGC-UHFFFAOYSA-N 0 0 453.421 4.586 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C[S@@](C)=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC001444003137 1066393360 /nfs/dbraw/zinc/39/33/60/1066393360.db2.gz TVDSIQIEYKQCLG-PKHCJMHPSA-N 0 0 454.573 4.904 20 5 JJBDRN Cc1cccc(Oc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3N)cn2)c1C ZINC001444141029 1066414851 /nfs/dbraw/zinc/41/48/51/1066414851.db2.gz SMCFHBYEYPWEJW-UHFFFAOYSA-N 0 0 457.284 4.996 20 5 JJBDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n2)c1 ZINC001361141722 1066421965 /nfs/dbraw/zinc/42/19/65/1066421965.db2.gz REAFWGAKAXSNAG-OAHLLOKOSA-N 0 0 459.462 4.888 20 5 JJBDRN O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001444179693 1066427031 /nfs/dbraw/zinc/42/70/31/1066427031.db2.gz SBANZRPQUNMEGD-SFHVURJKSA-N 0 0 451.292 4.711 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC001455790196 1066431749 /nfs/dbraw/zinc/43/17/49/1066431749.db2.gz OGVGGNJRFZQEPI-DJJJIMSYSA-N 0 0 452.408 4.670 20 5 JJBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(I)c1 ZINC001361147084 1066432829 /nfs/dbraw/zinc/43/28/29/1066432829.db2.gz UZUDGWGDLCONEP-UHFFFAOYSA-N 0 0 458.683 4.606 20 5 JJBDRN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1(C)C ZINC001455800036 1066433793 /nfs/dbraw/zinc/43/37/93/1066433793.db2.gz HGODYCYTTQSNDL-FQEVSTJZSA-N 0 0 454.527 4.714 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC001455820515 1066437565 /nfs/dbraw/zinc/43/75/65/1066437565.db2.gz CKGUMMJASRAXDI-XMMPIXPASA-N 0 0 457.571 4.656 20 5 JJBDRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001444272226 1066441094 /nfs/dbraw/zinc/44/10/94/1066441094.db2.gz XVLJHNQEJFSNMZ-JXFKEZNVSA-N 0 0 451.589 4.746 20 5 JJBDRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001444272230 1066441190 /nfs/dbraw/zinc/44/11/90/1066441190.db2.gz XVLJHNQEJFSNMZ-OXJNMPFZSA-N 0 0 451.589 4.746 20 5 JJBDRN CCCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001444325712 1066449206 /nfs/dbraw/zinc/44/92/06/1066449206.db2.gz KEJQTZXHXBDOJC-SJORKVTESA-N 0 0 454.365 4.530 20 5 JJBDRN CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001361158525 1066461106 /nfs/dbraw/zinc/46/11/06/1066461106.db2.gz STMCYBFAVAGIPA-MRXNPFEDSA-N 0 0 457.552 4.827 20 5 JJBDRN CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001361161278 1066467123 /nfs/dbraw/zinc/46/71/23/1066467123.db2.gz KJVCMHIJQOSCJH-UHFFFAOYSA-N 0 0 450.495 4.626 20 5 JJBDRN C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161702 1066467792 /nfs/dbraw/zinc/46/77/92/1066467792.db2.gz VVQSQMIRPIPZAQ-RBBKRZOGSA-N 0 0 459.340 4.705 20 5 JJBDRN CN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001455988149 1066467912 /nfs/dbraw/zinc/46/79/12/1066467912.db2.gz YOCCGCFYNFZYQY-RDTXWAMCSA-N 0 0 455.820 4.815 20 5 JJBDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001361161761 1066467851 /nfs/dbraw/zinc/46/78/51/1066467851.db2.gz XFVMXSCOSHZWHS-UHFFFAOYSA-N 0 0 453.539 4.541 20 5 JJBDRN CCOc1cc(Br)c(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1OCC ZINC001455993751 1066469020 /nfs/dbraw/zinc/46/90/20/1066469020.db2.gz TULIRIPRAJPFAX-UHFFFAOYSA-N 0 0 457.708 4.989 20 5 JJBDRN COC(=O)[C@](C)(NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001455992109 1066469221 /nfs/dbraw/zinc/46/92/21/1066469221.db2.gz CZFFPTZOBYKHFT-XMMPIXPASA-N 0 0 450.516 4.873 20 5 JJBDRN O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001456012609 1066472683 /nfs/dbraw/zinc/47/26/83/1066472683.db2.gz BBZFZYVYDKBMLL-UHFFFAOYSA-N 0 0 455.264 4.967 20 5 JJBDRN Cc1occc1C(=O)Nc1nc(CC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cs1 ZINC001456017009 1066474773 /nfs/dbraw/zinc/47/47/73/1066474773.db2.gz LCNHBDLCVXIOLG-UHFFFAOYSA-N 0 0 454.508 4.723 20 5 JJBDRN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001444636101 1066486780 /nfs/dbraw/zinc/48/67/80/1066486780.db2.gz HQXYDTUEAXXUDC-IBGZPJMESA-N 0 0 452.898 4.549 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001444764750 1066502198 /nfs/dbraw/zinc/50/21/98/1066502198.db2.gz FWZSNMRHLUNURR-UHFFFAOYSA-N 0 0 455.308 4.860 20 5 JJBDRN CCc1c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC001444801536 1066505510 /nfs/dbraw/zinc/50/55/10/1066505510.db2.gz OEFROWUVBXAMQH-UHFFFAOYSA-N 0 0 454.914 4.680 20 5 JJBDRN CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1F ZINC001444806214 1066506486 /nfs/dbraw/zinc/50/64/86/1066506486.db2.gz UALLKPQIFXVOGJ-UHFFFAOYSA-N 0 0 459.474 4.765 20 5 JJBDRN Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CCCN2CCCCC2=O)o1 ZINC001361191291 1066517833 /nfs/dbraw/zinc/51/78/33/1066517833.db2.gz NNYAZKYBEDVBCR-UHFFFAOYSA-N 0 0 480.569 4.572 20 5 JJBDRN CCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001456147401 1066522006 /nfs/dbraw/zinc/52/20/06/1066522006.db2.gz VJDBNSNYPBRXNR-XMMPIXPASA-N 0 0 459.481 4.875 20 5 JJBDRN O=C(N[C@@H](CO)c1ccccc1C(F)(F)F)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001456171652 1066528343 /nfs/dbraw/zinc/52/83/43/1066528343.db2.gz JGHFHAVPXQBLMY-FQEVSTJZSA-N 0 0 459.424 4.689 20 5 JJBDRN CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001456174394 1066529131 /nfs/dbraw/zinc/52/91/31/1066529131.db2.gz PJSIEFYYVQTRQN-UHFFFAOYSA-N 0 0 452.292 4.888 20 5 JJBDRN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(=O)N1c1ccccc1 ZINC001361203745 1066533591 /nfs/dbraw/zinc/53/35/91/1066533591.db2.gz ZWTXNNKCQJIMKY-HRAATJIYSA-N 0 0 453.564 4.801 20 5 JJBDRN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(=O)N1c1ccccc1 ZINC001361203747 1066533774 /nfs/dbraw/zinc/53/37/74/1066533774.db2.gz ZWTXNNKCQJIMKY-IIBYNOLFSA-N 0 0 453.564 4.801 20 5 JJBDRN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC001456239512 1066542864 /nfs/dbraw/zinc/54/28/64/1066542864.db2.gz ALSSWGROSOOINX-UHFFFAOYSA-N 0 0 450.426 4.976 20 5 JJBDRN CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC001456262917 1066549418 /nfs/dbraw/zinc/54/94/18/1066549418.db2.gz GICJLEVLHDELMI-QFIPXVFZSA-N 0 0 454.504 4.544 20 5 JJBDRN COc1cc(C(=O)N[C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001456303799 1066559556 /nfs/dbraw/zinc/55/95/56/1066559556.db2.gz VYVDYJODQSQPMR-QFIPXVFZSA-N 0 0 453.520 4.828 20 5 JJBDRN Cc1cc(OCC(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001361221770 1066560463 /nfs/dbraw/zinc/56/04/63/1066560463.db2.gz JAIGDMBKAPFYID-LJQANCHMSA-N 0 0 459.502 4.641 20 5 JJBDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001456332507 1066564386 /nfs/dbraw/zinc/56/43/86/1066564386.db2.gz FEDICQPVSDCOBL-NRFANRHFSA-N 0 0 454.477 4.518 20 5 JJBDRN O=C(Nc1cccc(Cl)c1SCC(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001456357189 1066569037 /nfs/dbraw/zinc/56/90/37/1066569037.db2.gz DUQPQUPTTUEDFV-UHFFFAOYSA-N 0 0 457.886 4.694 20 5 JJBDRN COc1ccc(OC(F)F)c(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001456370335 1066573156 /nfs/dbraw/zinc/57/31/56/1066573156.db2.gz WYBHFVBNQFDKBR-UHFFFAOYSA-N 0 0 451.300 4.503 20 5 JJBDRN COc1ccc(NC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001546082070 1066578249 /nfs/dbraw/zinc/57/82/49/1066578249.db2.gz FEUUIAZAXZWODO-UHFFFAOYSA-N 0 0 455.511 4.511 20 5 JJBDRN Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOCC(F)F)o1 ZINC001361238609 1066579367 /nfs/dbraw/zinc/57/93/67/1066579367.db2.gz WKSLGWPNOKNOCS-GOSISDBHSA-N 0 0 461.469 4.768 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001361246176 1066588468 /nfs/dbraw/zinc/58/84/68/1066588468.db2.gz MJRRZVIRKLXPDJ-AREMUKBSSA-N 0 0 451.220 4.545 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001361246180 1066588582 /nfs/dbraw/zinc/58/85/82/1066588582.db2.gz MJRRZVIRKLXPDJ-SANMLTNESA-N 0 0 451.220 4.545 20 5 JJBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]1c1ccccc1Br ZINC001445603402 1066594674 /nfs/dbraw/zinc/59/46/74/1066594674.db2.gz UWNVZQBFSBWTSF-KRWDZBQOSA-N 0 0 456.296 4.648 20 5 JJBDRN Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)c2ncc(C)s2)o1 ZINC001361250486 1066597343 /nfs/dbraw/zinc/59/73/43/1066597343.db2.gz XRCZTWPXDRJQOR-CQSZACIVSA-N 0 0 452.540 4.960 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001456497581 1066600299 /nfs/dbraw/zinc/60/02/99/1066600299.db2.gz WQYDRENTIMPGLD-UHFFFAOYSA-N 0 0 450.495 4.551 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)[C@@]2(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001361257946 1066606875 /nfs/dbraw/zinc/60/68/75/1066606875.db2.gz QGKUASNVMZIMSY-BVZFJXPGSA-N 0 0 453.539 4.659 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(N(C)c4ccccc4)CC3)cc2[N+](=O)[O-])C1 ZINC001361270167 1066623665 /nfs/dbraw/zinc/62/36/65/1066623665.db2.gz RHCJBUMQHKXGEP-BGYRXZFFSA-N 0 0 450.583 4.818 20 5 JJBDRN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001456583982 1066633004 /nfs/dbraw/zinc/63/30/04/1066633004.db2.gz FRDKGLQBEDDVNI-WNJALKNKSA-N 0 0 451.523 4.646 20 5 JJBDRN CN(CC(=O)N1CC(C)(C)c2c1cccc2Cl)c1cc(Br)ccc1[N+](=O)[O-] ZINC001361283418 1066641457 /nfs/dbraw/zinc/64/14/57/1066641457.db2.gz MTGSGBIQDCVEAH-UHFFFAOYSA-N 0 0 452.736 4.771 20 5 JJBDRN O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001446030451 1066648569 /nfs/dbraw/zinc/64/85/69/1066648569.db2.gz GRMJPVIKIPNGJC-VWLOTQADSA-N 0 0 456.502 4.758 20 5 JJBDRN CCOc1cccc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)c1OC(F)F ZINC001446062237 1066654063 /nfs/dbraw/zinc/65/40/63/1066654063.db2.gz QCHRIPJSMGLVOD-UHFFFAOYSA-N 0 0 453.200 4.971 20 5 JJBDRN Cc1cccnc1Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001492605558 1066663134 /nfs/dbraw/zinc/66/31/34/1066663134.db2.gz FKHWBWAWKAAOEZ-QFIPXVFZSA-N 0 0 450.543 4.595 20 5 JJBDRN CN(C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC001446245886 1066678671 /nfs/dbraw/zinc/67/86/71/1066678671.db2.gz VVHPMEIQKWNTKX-UHFFFAOYSA-N 0 0 453.838 4.506 20 5 JJBDRN CC[C@@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001456751551 1066681359 /nfs/dbraw/zinc/68/13/59/1066681359.db2.gz UVOCSLHQZPGAJK-QGZVFWFLSA-N 0 0 452.292 4.686 20 5 JJBDRN CCc1nn(C)c(CC)c1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001446303717 1066688952 /nfs/dbraw/zinc/68/89/52/1066688952.db2.gz ZFQAMJNSXLHMEV-UHFFFAOYSA-N 0 0 455.946 4.649 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C[C@H](C)N1CC(F)(F)F ZINC001456829754 1066702287 /nfs/dbraw/zinc/70/22/87/1066702287.db2.gz ONMWHNDPCAUFAI-GASCZTMLSA-N 0 0 459.534 4.974 20 5 JJBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC001545985656 1066703108 /nfs/dbraw/zinc/70/31/08/1066703108.db2.gz JTDJZMMSCXWUJG-UHFFFAOYSA-N 0 0 452.923 4.996 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC001446423872 1066703586 /nfs/dbraw/zinc/70/35/86/1066703586.db2.gz CVHIBNWMKWGOKK-INIZCTEOSA-N 0 0 451.910 4.790 20 5 JJBDRN CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(Br)cs2)CCO1 ZINC001546085675 1066725965 /nfs/dbraw/zinc/72/59/65/1066725965.db2.gz PVDRJJHPJISHRB-FQEVSTJZSA-N 0 0 492.399 4.731 20 5 JJBDRN CN(C)C(=O)CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC001456944246 1066727476 /nfs/dbraw/zinc/72/74/76/1066727476.db2.gz VOKHOVPPJNOQCI-UHFFFAOYSA-N 0 0 453.882 4.776 20 5 JJBDRN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001446712748 1066733476 /nfs/dbraw/zinc/73/34/76/1066733476.db2.gz IWYXBSSCBAKNQP-UHFFFAOYSA-N 0 0 454.895 4.911 20 5 JJBDRN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cnc1N1CCCC[C@H]1C ZINC001446790524 1066740710 /nfs/dbraw/zinc/74/07/10/1066740710.db2.gz FABKMCIXHLPRBB-GFCCVEGCSA-N 0 0 451.296 4.831 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1[N+](=O)[O-] ZINC001457022037 1066746091 /nfs/dbraw/zinc/74/60/91/1066746091.db2.gz NWBOUFLZKHSELC-HNNXBMFYSA-N 0 0 450.944 4.521 20 5 JJBDRN C[C@](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)(C1CC1)C(F)(F)F ZINC001457085168 1066757661 /nfs/dbraw/zinc/75/76/61/1066757661.db2.gz FLWXBHQECCKFLB-QFIPXVFZSA-N 0 0 458.440 4.837 20 5 JJBDRN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001457117411 1066766531 /nfs/dbraw/zinc/76/65/31/1066766531.db2.gz ZQIVGOCWKBWVKO-UHFFFAOYSA-N 0 0 453.705 4.705 20 5 JJBDRN Cc1nc(C)c(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCCc2ccccn2)s1 ZINC001492655677 1066767346 /nfs/dbraw/zinc/76/73/46/1066767346.db2.gz WMRKOARAGZZVJY-UHFFFAOYSA-N 0 0 477.594 4.633 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001447085181 1066772088 /nfs/dbraw/zinc/77/20/88/1066772088.db2.gz WPZMAQHRRAVSTM-MRVPVSSYSA-N 0 0 450.656 4.842 20 5 JJBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001457205278 1066789454 /nfs/dbraw/zinc/78/94/54/1066789454.db2.gz SXJJBBNQXOMORA-LJQANCHMSA-N 0 0 456.564 4.936 20 5 JJBDRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n1C ZINC001457214984 1066792129 /nfs/dbraw/zinc/79/21/29/1066792129.db2.gz JAAMUIHBAZBJQC-ZDUSSCGKSA-N 0 0 458.273 4.533 20 5 JJBDRN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC001457222070 1066793714 /nfs/dbraw/zinc/79/37/14/1066793714.db2.gz RJKOQMJRZGRHOO-UHFFFAOYSA-N 0 0 456.252 4.501 20 5 JJBDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc2C)ccn1 ZINC001457268737 1066800249 /nfs/dbraw/zinc/80/02/49/1066800249.db2.gz OEFNWWCAODHZEF-UHFFFAOYSA-N 0 0 454.870 4.664 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)NCCn3cc(-c4ccccc4)nn3)cc2[N+](=O)[O-])cc1 ZINC001457270517 1066800876 /nfs/dbraw/zinc/80/08/76/1066800876.db2.gz BPRXRNFJANSEKU-UHFFFAOYSA-N 0 0 459.531 4.743 20 5 JJBDRN O=C(OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001457282492 1066803210 /nfs/dbraw/zinc/80/32/10/1066803210.db2.gz APRGEDCUMZSIRG-UHFFFAOYSA-N 0 0 458.352 4.806 20 5 JJBDRN COc1ccc(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1SC(F)(F)F ZINC001457293511 1066805269 /nfs/dbraw/zinc/80/52/69/1066805269.db2.gz PFNMOUHJXQNEOZ-UHFFFAOYSA-N 0 0 453.398 4.758 20 5 JJBDRN Nc1c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001447568770 1066823102 /nfs/dbraw/zinc/82/31/02/1066823102.db2.gz AIGJGSCQXKCFHI-FQEVSTJZSA-N 0 0 459.424 4.572 20 5 JJBDRN Nc1c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC001447568772 1066823272 /nfs/dbraw/zinc/82/32/72/1066823272.db2.gz AIGJGSCQXKCFHI-HXUWFJFHSA-N 0 0 459.424 4.572 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC001457448436 1066832953 /nfs/dbraw/zinc/83/29/53/1066832953.db2.gz WMVPTYCFPZDBCS-UHFFFAOYSA-N 0 0 459.256 4.546 20 5 JJBDRN CCOC(=O)C[C@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447692886 1066843344 /nfs/dbraw/zinc/84/33/44/1066843344.db2.gz WZSJLTJVHLWCJK-XOAFGZPJSA-N 0 0 453.520 4.593 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001447743059 1066851352 /nfs/dbraw/zinc/85/13/52/1066851352.db2.gz MOGZDVZFMOEWTJ-HXUWFJFHSA-N 0 0 459.587 4.803 20 5 JJBDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001447777924 1066856331 /nfs/dbraw/zinc/85/63/31/1066856331.db2.gz HDVLTVIFASBMQR-KZULUSFZSA-N 0 0 453.720 4.542 20 5 JJBDRN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001447799372 1066860896 /nfs/dbraw/zinc/86/08/96/1066860896.db2.gz KOLDXRKBWBQVPM-VBKZILBWSA-N 0 0 454.470 4.959 20 5 JJBDRN O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001447799365 1066860935 /nfs/dbraw/zinc/86/09/35/1066860935.db2.gz KOLDXRKBWBQVPM-JLTOFOAXSA-N 0 0 454.470 4.959 20 5 JJBDRN Cc1nccn1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001492705495 1066865415 /nfs/dbraw/zinc/86/54/15/1066865415.db2.gz HRFFOSNGSWSDLB-HXUWFJFHSA-N 0 0 451.575 4.711 20 5 JJBDRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001457579209 1066870335 /nfs/dbraw/zinc/87/03/35/1066870335.db2.gz AOAVOJYBWQPCLU-LBPRGKRZSA-N 0 0 457.284 4.595 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)n3)cc2[N+](=O)[O-])C1 ZINC001457588662 1066872869 /nfs/dbraw/zinc/87/28/69/1066872869.db2.gz XBHLCMVKZSZCSB-OKILXGFUSA-N 0 0 454.918 4.768 20 5 JJBDRN O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001457636519 1066888644 /nfs/dbraw/zinc/88/86/44/1066888644.db2.gz LBJCBBKOMJJHIK-UHFFFAOYSA-N 0 0 454.486 4.669 20 5 JJBDRN Cc1c(Br)cc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC001457743202 1066908910 /nfs/dbraw/zinc/90/89/10/1066908910.db2.gz SBMXHQIZKIDXSS-UHFFFAOYSA-N 0 0 452.648 4.726 20 5 JJBDRN Cc1ccc(Sc2nsc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC001457769833 1066915270 /nfs/dbraw/zinc/91/52/70/1066915270.db2.gz YWPHYVVNDVDJPO-UHFFFAOYSA-N 0 0 451.327 4.921 20 5 JJBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001457771570 1066915584 /nfs/dbraw/zinc/91/55/84/1066915584.db2.gz CHCAHFAIJGWHKO-MRXNPFEDSA-N 0 0 450.322 4.795 20 5 JJBDRN Cc1cc(C)n(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CC=CCC2)n1 ZINC001492741183 1066916564 /nfs/dbraw/zinc/91/65/64/1066916564.db2.gz VBFYZGCQUFVAQL-OAQYLSRUSA-N 0 0 463.586 4.819 20 5 JJBDRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001457779436 1066917858 /nfs/dbraw/zinc/91/78/58/1066917858.db2.gz BQNAHKAHOYJPMN-HNNXBMFYSA-N 0 0 457.335 4.528 20 5 JJBDRN O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001448435378 1066927267 /nfs/dbraw/zinc/92/72/67/1066927267.db2.gz UPIAFUCKZXTFOO-CQSZACIVSA-N 0 0 456.726 4.749 20 5 JJBDRN Cc1cc(C)n(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC001492760807 1066933564 /nfs/dbraw/zinc/93/35/64/1066933564.db2.gz SHYPUMCZCZVYCP-UTKZUKDTSA-N 0 0 451.575 4.772 20 5 JJBDRN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)no1 ZINC001457881770 1066935391 /nfs/dbraw/zinc/93/53/91/1066935391.db2.gz AEIXXUSXVZNHSQ-SECBINFHSA-N 0 0 451.664 4.552 20 5 JJBDRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001448521445 1066936073 /nfs/dbraw/zinc/93/60/73/1066936073.db2.gz RPIIIHCJGAISCV-JTQLQIEISA-N 0 0 456.699 4.709 20 5 JJBDRN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457956710 1066948390 /nfs/dbraw/zinc/94/83/90/1066948390.db2.gz YCXZCISYVRHINO-ARJAWSKDSA-N 0 0 455.677 4.878 20 5 JJBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC001457965262 1066949171 /nfs/dbraw/zinc/94/91/71/1066949171.db2.gz AASADRKOGCKZRS-MDRZDLKXSA-N 0 0 459.768 4.803 20 5 JJBDRN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001448676589 1066949507 /nfs/dbraw/zinc/94/95/07/1066949507.db2.gz UYXNBCLCEKSSSX-UHFFFAOYSA-N 0 0 458.820 4.511 20 5 JJBDRN COc1cccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)c1 ZINC001457966146 1066949555 /nfs/dbraw/zinc/94/95/55/1066949555.db2.gz IDSLMFBSADXJPG-UHFFFAOYSA-N 0 0 451.567 4.935 20 5 JJBDRN CC(C)c1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 ZINC001458003478 1066955636 /nfs/dbraw/zinc/95/56/36/1066955636.db2.gz SWBFAIWJKOXJKC-CYBMUJFWSA-N 0 0 452.292 4.684 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001458020898 1066957596 /nfs/dbraw/zinc/95/75/96/1066957596.db2.gz GYAJKXNWPJTCGL-LBEPJEHYSA-N 0 0 459.930 4.603 20 5 JJBDRN CC[C@@H](NC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1cccc([N+](=O)[O-])c1 ZINC001458043649 1066959863 /nfs/dbraw/zinc/95/98/63/1066959863.db2.gz SGHHENRGRZYCSV-LJQANCHMSA-N 0 0 453.568 4.700 20 5 JJBDRN C[C@H](C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001448889432 1066967267 /nfs/dbraw/zinc/96/72/67/1066967267.db2.gz KGOMHEUYXDMGFX-BBRMVZONSA-N 0 0 450.308 4.703 20 5 JJBDRN COc1ccc(Oc2ccc(CCNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 ZINC001458075227 1066968152 /nfs/dbraw/zinc/96/81/52/1066968152.db2.gz ZZZKIGNVWKMQAY-UHFFFAOYSA-N 0 0 458.474 4.554 20 5 JJBDRN COC(=O)[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001458075678 1066968166 /nfs/dbraw/zinc/96/81/66/1066968166.db2.gz KPPUZKWXAWFNPV-HXUWFJFHSA-N 0 0 457.845 4.775 20 5 JJBDRN Cn1c(COc2ccccc2Cl)nnc1Sc1c(Br)cccc1[N+](=O)[O-] ZINC001458088603 1066970981 /nfs/dbraw/zinc/97/09/81/1066970981.db2.gz DLVQRBRDERMLBF-UHFFFAOYSA-N 0 0 455.721 4.869 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cccc(CO)c1 ZINC001545716351 1066971054 /nfs/dbraw/zinc/97/10/54/1066971054.db2.gz NYTABQFGTUFWSZ-MOSHPQCFSA-N 0 0 459.527 4.944 20 5 JJBDRN COc1cc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(Cl)cc1[N+](=O)[O-] ZINC001458094305 1066973184 /nfs/dbraw/zinc/97/31/84/1066973184.db2.gz IOMVHYXZQNURDO-NSHDSACASA-N 0 0 455.824 4.702 20 5 JJBDRN CCNC(=O)Nc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1C ZINC001448990951 1066975739 /nfs/dbraw/zinc/97/57/39/1066975739.db2.gz IUPGKQINLFXDGQ-UHFFFAOYSA-N 0 0 450.445 4.662 20 5 JJBDRN Cc1c(Br)c(NCc2ccc(N3CCc4ccccc4C3)nc2)ncc1[N+](=O)[O-] ZINC001458105750 1066977272 /nfs/dbraw/zinc/97/72/72/1066977272.db2.gz MQOODSIAKXKFDN-UHFFFAOYSA-N 0 0 454.328 4.631 20 5 JJBDRN C[C@H](c1cc(F)ccc1F)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC001458114936 1066980022 /nfs/dbraw/zinc/98/00/22/1066980022.db2.gz WBHSNLNKDMHXKA-OAHLLOKOSA-N 0 0 453.511 4.635 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1c(O)cc(Br)cc1Cl ZINC001449118429 1066983653 /nfs/dbraw/zinc/98/36/53/1066983653.db2.gz KVGFXXNQBCEWMH-UHFFFAOYSA-N 0 0 450.072 4.777 20 5 JJBDRN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc1C ZINC001458143794 1066987126 /nfs/dbraw/zinc/98/71/26/1066987126.db2.gz FSVIPUNCSPKRPT-HXUWFJFHSA-N 0 0 453.539 4.677 20 5 JJBDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001458145091 1066987566 /nfs/dbraw/zinc/98/75/66/1066987566.db2.gz SDMCGUBWRMFDEG-GOSISDBHSA-N 0 0 456.724 4.692 20 5 JJBDRN O=[N+]([O-])c1ccc(Nc2cccc(C[S@](=O)C3CCOCC3)c2)nc1-c1ccc(F)cc1 ZINC001458177795 1066997981 /nfs/dbraw/zinc/99/79/81/1066997981.db2.gz AYQLQHQGQOBOAN-YTTGMZPUSA-N 0 0 455.511 4.967 20 5 JJBDRN Cc1c(Br)c(NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ncc1[N+](=O)[O-] ZINC001458184159 1066999366 /nfs/dbraw/zinc/99/93/66/1066999366.db2.gz GXSOCGMBLXSIEW-AWEZNQCLSA-N 0 0 451.321 4.739 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCCO)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC001449327411 1067000047 /nfs/dbraw/zinc/00/00/47/1067000047.db2.gz BPOMEVZWDPEHPH-UHFFFAOYSA-N 0 0 454.470 4.750 20 5 JJBDRN CCC1(CC)[C@H](N(C)C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1OC ZINC001458190419 1067000921 /nfs/dbraw/zinc/00/09/21/1067000921.db2.gz JZELSBYBDDPZPB-SJORKVTESA-N 0 0 455.342 4.753 20 5 JJBDRN O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001458193152 1067001272 /nfs/dbraw/zinc/00/12/72/1067001272.db2.gz CYTJFBBMLVXXDR-UHFFFAOYSA-N 0 0 452.438 4.660 20 5 JJBDRN Cc1cccc(-c2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)n2C)c1 ZINC001449386622 1067005942 /nfs/dbraw/zinc/00/59/42/1067005942.db2.gz GHJNWNMFGCVSSO-UHFFFAOYSA-N 0 0 454.324 4.870 20 5 JJBDRN CC[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC001458226738 1067007384 /nfs/dbraw/zinc/00/73/84/1067007384.db2.gz ANTRYQNXXAYWGP-SIKLNZKXSA-N 0 0 457.596 4.790 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N(Cc1ccco1)Cc1ccccc1 ZINC001458227929 1067007748 /nfs/dbraw/zinc/00/77/48/1067007748.db2.gz DBLACEYOTZNELH-UHFFFAOYSA-N 0 0 455.536 4.569 20 5 JJBDRN CCOC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c(F)cc1C ZINC001449407801 1067007811 /nfs/dbraw/zinc/00/78/11/1067007811.db2.gz VXQRUFLRUJFVRJ-UHFFFAOYSA-N 0 0 454.404 4.836 20 5 JJBDRN COC(=O)/C=C\c1ccc(NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC001458239479 1067009742 /nfs/dbraw/zinc/00/97/42/1067009742.db2.gz QZFFVBQJWIBFRR-OVHOFWQVSA-N 0 0 455.511 4.979 20 5 JJBDRN Cc1nn(C)c(Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)c1[N+](=O)[O-] ZINC001458243433 1067010376 /nfs/dbraw/zinc/01/03/76/1067010376.db2.gz NBIRSRDBQIOBLO-UHFFFAOYSA-N 0 0 456.256 4.909 20 5 JJBDRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001458247276 1067011745 /nfs/dbraw/zinc/01/17/45/1067011745.db2.gz YYZPDOURLDPOLD-UHFFFAOYSA-N 0 0 453.539 4.965 20 5 JJBDRN Nc1c(C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc2ccccc2c1[N+](=O)[O-] ZINC001458255839 1067014011 /nfs/dbraw/zinc/01/40/11/1067014011.db2.gz QQGMIKROHPMEED-UHFFFAOYSA-N 0 0 458.261 4.575 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NCCc3cc4ccccc4[nH]3)c([N+](=O)[O-])c2)CC1 ZINC001458261573 1067015778 /nfs/dbraw/zinc/01/57/78/1067015778.db2.gz KMVQPLVZBIANGL-UHFFFAOYSA-N 0 0 456.568 4.588 20 5 JJBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001458263510 1067016029 /nfs/dbraw/zinc/01/60/29/1067016029.db2.gz PULZDAPTCBPZEX-KRWDZBQOSA-N 0 0 456.543 4.970 20 5 JJBDRN CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001458263974 1067016264 /nfs/dbraw/zinc/01/62/64/1067016264.db2.gz FGYKXYBCDDAUKF-DOTOQJQBSA-N 0 0 457.474 4.612 20 5 JJBDRN CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001458263975 1067016278 /nfs/dbraw/zinc/01/62/78/1067016278.db2.gz FGYKXYBCDDAUKF-NVXWUHKLSA-N 0 0 457.474 4.612 20 5 JJBDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001458273097 1067018039 /nfs/dbraw/zinc/01/80/39/1067018039.db2.gz BWNQTMLUZZPXJS-ZDUSSCGKSA-N 0 0 457.533 4.649 20 5 JJBDRN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(Br)c1 ZINC001458273834 1067018623 /nfs/dbraw/zinc/01/86/23/1067018623.db2.gz DQUYBSCODALVQT-SECBINFHSA-N 0 0 458.106 4.619 20 5 JJBDRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001458284133 1067021131 /nfs/dbraw/zinc/02/11/31/1067021131.db2.gz XCXHQJLWKGSPJU-CQSZACIVSA-N 0 0 454.918 4.621 20 5 JJBDRN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001458294937 1067023555 /nfs/dbraw/zinc/02/35/55/1067023555.db2.gz JSPMQFPUJVPSRG-UHFFFAOYSA-N 0 0 456.427 4.565 20 5 JJBDRN CC(=O)c1ccc(C(F)(F)F)nc1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001458326713 1067031699 /nfs/dbraw/zinc/03/16/99/1067031699.db2.gz IGRCFHNMRHLDGL-UHFFFAOYSA-N 0 0 452.126 4.608 20 5 JJBDRN COc1cc(I)c(Cl)cc1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC001458348576 1067038490 /nfs/dbraw/zinc/03/84/90/1067038490.db2.gz WJTLNNXTFFTULR-UHFFFAOYSA-N 0 0 450.635 4.921 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC001458349162 1067038776 /nfs/dbraw/zinc/03/87/76/1067038776.db2.gz SCNOJYNLIDXUEM-QRWLVFNGSA-N 0 0 457.483 4.741 20 5 JJBDRN C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001449985876 1067040237 /nfs/dbraw/zinc/04/02/37/1067040237.db2.gz VEHSIMZDAATRSY-SNVBAGLBSA-N 0 0 451.708 4.649 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-])c1ccccn1 ZINC001458394679 1067050164 /nfs/dbraw/zinc/05/01/64/1067050164.db2.gz LOYSNDVVETURPV-FOIQADDNSA-N 0 0 450.470 4.946 20 5 JJBDRN CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001458398793 1067051914 /nfs/dbraw/zinc/05/19/14/1067051914.db2.gz ZBHOQXMYMRWMBI-AZUAARDMSA-N 0 0 459.428 4.603 20 5 JJBDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001545768786 1067054921 /nfs/dbraw/zinc/05/49/21/1067054921.db2.gz GFJYWACDOYJLSN-UIAACRFSSA-N 0 0 455.942 4.649 20 5 JJBDRN CCc1ccccc1[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)NC(=O)OC(C)(C)C ZINC001458417966 1067056133 /nfs/dbraw/zinc/05/61/33/1067056133.db2.gz ZJVRLCUSPMDPNJ-HXUWFJFHSA-N 0 0 454.527 4.720 20 5 JJBDRN CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC ZINC001545772840 1067062125 /nfs/dbraw/zinc/06/21/25/1067062125.db2.gz OBHBCWXZOHAUBT-INIZCTEOSA-N 0 0 455.481 4.837 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccc(C(C)=O)c2)c([N+](=O)[O-])c1 ZINC001458463617 1067068805 /nfs/dbraw/zinc/06/88/05/1067068805.db2.gz IKJXBEUTMHLUFN-UHFFFAOYSA-N 0 0 453.520 4.625 20 5 JJBDRN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001458468168 1067069810 /nfs/dbraw/zinc/06/98/10/1067069810.db2.gz UCPIHQAOMWDTNG-UHFFFAOYSA-N 0 0 451.483 4.747 20 5 JJBDRN Nc1c(Cl)cc(C(=O)N2CCCC[C@H]2Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC001450308712 1067070475 /nfs/dbraw/zinc/07/04/75/1067070475.db2.gz MJIVIFWGHFDZCG-AWEZNQCLSA-N 0 0 452.736 4.830 20 5 JJBDRN CCC(CC)(Cn1c(-c2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)SC ZINC001545777751 1067072120 /nfs/dbraw/zinc/07/21/20/1067072120.db2.gz LNYQTCWHDWKUCU-UHFFFAOYSA-N 0 0 452.584 4.733 20 5 JJBDRN CCOC(=O)c1ccnc(N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001458483127 1067073034 /nfs/dbraw/zinc/07/30/34/1067073034.db2.gz PBXIUBNKGYBNMW-FQEVSTJZSA-N 0 0 453.417 4.667 20 5 JJBDRN Cc1ccc(OCCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Br)c1 ZINC001458496968 1067074922 /nfs/dbraw/zinc/07/49/22/1067074922.db2.gz CNENXGISEMVAJD-UHFFFAOYSA-N 0 0 458.106 4.836 20 5 JJBDRN COC1(c2noc(CC3CCN(c4cccc(C(F)(F)F)c4[N+](=O)[O-])CC3)n2)CCCC1 ZINC001458497689 1067075156 /nfs/dbraw/zinc/07/51/56/1067075156.db2.gz CMZLOUFVSSRBET-UHFFFAOYSA-N 0 0 454.449 4.871 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CC4(CCCC4)OC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC001458501327 1067075751 /nfs/dbraw/zinc/07/57/51/1067075751.db2.gz FCKXVGXQQXMBBA-SFHVURJKSA-N 0 0 459.568 4.550 20 5 JJBDRN O=C(COc1ccccc1OCc1ccccc1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001458499676 1067075807 /nfs/dbraw/zinc/07/58/07/1067075807.db2.gz GRVFAZAVKBXAMH-UHFFFAOYSA-N 0 0 457.280 4.954 20 5 JJBDRN COC(=O)c1sc2c(c1Br)CN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001458512876 1067078722 /nfs/dbraw/zinc/07/87/22/1067078722.db2.gz HCXUTXJEUCSYQW-UHFFFAOYSA-N 0 0 451.220 4.744 20 5 JJBDRN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C2 ZINC001458515375 1067078956 /nfs/dbraw/zinc/07/89/56/1067078956.db2.gz JUVQPVJZJKQZLJ-CJAUYULYSA-N 0 0 451.523 4.709 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001450447080 1067080875 /nfs/dbraw/zinc/08/08/75/1067080875.db2.gz XXYWMKGIVMKVOL-QPPBQGQZSA-N 0 0 458.555 4.817 20 5 JJBDRN COc1cc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC001458528665 1067081935 /nfs/dbraw/zinc/08/19/35/1067081935.db2.gz CJCLIOMRBOOWEP-UHFFFAOYSA-N 0 0 452.410 4.721 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC001458552318 1067087041 /nfs/dbraw/zinc/08/70/41/1067087041.db2.gz WPDWTDLGHNPWFR-KRWDZBQOSA-N 0 0 455.536 4.992 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC001458585898 1067090614 /nfs/dbraw/zinc/09/06/14/1067090614.db2.gz ZIBKHWAGPNHSBJ-JQWIXIFHSA-N 0 0 457.371 4.753 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001458585925 1067090868 /nfs/dbraw/zinc/09/08/68/1067090868.db2.gz ZIBKHWAGPNHSBJ-ZYHUDNBSSA-N 0 0 457.371 4.753 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc([N+](=O)[O-])c1 ZINC001458598473 1067092445 /nfs/dbraw/zinc/09/24/45/1067092445.db2.gz CNYHOCZSISCUPZ-OAQYLSRUSA-N 0 0 453.882 4.534 20 5 JJBDRN CC(C)(C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc([N+](=O)[O-])cc1F ZINC001458611400 1067095006 /nfs/dbraw/zinc/09/50/06/1067095006.db2.gz WMVGNKRHVNJQKP-UHFFFAOYSA-N 0 0 453.257 4.642 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NC[C@@H]3C[C@@H]3Cc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001458698509 1067111480 /nfs/dbraw/zinc/11/14/80/1067111480.db2.gz JPKIPOSXLJGFBU-WWFYLNGCSA-N 0 0 457.596 4.743 20 5 JJBDRN CC1CCC(NS(=O)(=O)c2ccc(NC[C@@H]3C[C@H]3Cc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001458698502 1067111506 /nfs/dbraw/zinc/11/15/06/1067111506.db2.gz JPKIPOSXLJGFBU-FPGXKEGCSA-N 0 0 457.596 4.743 20 5 JJBDRN O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001458701132 1067112145 /nfs/dbraw/zinc/11/21/45/1067112145.db2.gz CASXLKMIVSOPNM-UHFFFAOYSA-N 0 0 459.428 4.775 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001450730780 1067112140 /nfs/dbraw/zinc/11/21/40/1067112140.db2.gz UALBSTJBDDYZKK-HDJSIYSDSA-N 0 0 459.465 4.675 20 5 JJBDRN COc1cc(C(=O)NCCCC(=O)OC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001458712794 1067113509 /nfs/dbraw/zinc/11/35/09/1067113509.db2.gz BEPAYUITANXEFP-UHFFFAOYSA-N 0 0 450.875 4.511 20 5 JJBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC001450982411 1067138084 /nfs/dbraw/zinc/13/80/84/1067138084.db2.gz BPJQQTLLPHSHQJ-QGZVFWFLSA-N 0 0 459.325 4.853 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cn1 ZINC001451003016 1067139297 /nfs/dbraw/zinc/13/92/97/1067139297.db2.gz XRGUTUJQFPHJJO-HNNXBMFYSA-N 0 0 454.708 4.538 20 5 JJBDRN COc1cc(CSc2nnc(-c3cccc(C)c3)n2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001458776755 1067141179 /nfs/dbraw/zinc/14/11/79/1067141179.db2.gz HLBRFTBBZBNPCO-UHFFFAOYSA-N 0 0 450.467 4.644 20 5 JJBDRN CN(C)c1ccc(COC(=O)COc2ccc3ccccc3c2Br)cc1[N+](=O)[O-] ZINC001458845892 1067170483 /nfs/dbraw/zinc/17/04/83/1067170483.db2.gz YTBKBCOCHVBPML-UHFFFAOYSA-N 0 0 459.296 4.699 20 5 JJBDRN Cc1ncc([N+](=O)[O-])n1CCSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 ZINC001458855875 1067175028 /nfs/dbraw/zinc/17/50/28/1067175028.db2.gz ZAGZYGYEMMSACV-UHFFFAOYSA-N 0 0 455.927 4.553 20 5 JJBDRN CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001458884606 1067186043 /nfs/dbraw/zinc/18/60/43/1067186043.db2.gz VGCLVHMDRJKZTO-UHFFFAOYSA-N 0 0 451.435 4.510 20 5 JJBDRN Cc1ccc2nnc(CNC(=O)c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)n2c1 ZINC001451795915 1067191442 /nfs/dbraw/zinc/19/14/42/1067191442.db2.gz SEBWOBLDWXMPEC-UHFFFAOYSA-N 0 0 453.911 4.681 20 5 JJBDRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1Cc1nc(C(C)(C)C)cs1 ZINC001545838054 1067191360 /nfs/dbraw/zinc/19/13/60/1067191360.db2.gz ZYHYOSZLPSMDSY-UHFFFAOYSA-N 0 0 499.641 4.543 20 5 JJBDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)C3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001545839748 1067193274 /nfs/dbraw/zinc/19/32/74/1067193274.db2.gz LDHZZWFOQPASEG-UHFFFAOYSA-N 0 0 459.568 4.650 20 5 JJBDRN CC(C)C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)OC(C)(C)C ZINC001451898711 1067196596 /nfs/dbraw/zinc/19/65/96/1067196596.db2.gz CXFNCNZFPVBJLT-AWEZNQCLSA-N 0 0 458.505 4.693 20 5 JJBDRN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC001451992777 1067203112 /nfs/dbraw/zinc/20/31/12/1067203112.db2.gz DBHIHOCJNZGJFJ-DHIUTWEWSA-N 0 0 451.910 4.808 20 5 JJBDRN CCC1(CC)CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc[nH]n3)sc2C1 ZINC001452093599 1067206345 /nfs/dbraw/zinc/20/63/45/1067206345.db2.gz KAPOBKIEUFKMQL-UHFFFAOYSA-N 0 0 458.569 4.868 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)C1(Cc2ccc(Cl)cc2)CC1 ZINC001458981920 1067217666 /nfs/dbraw/zinc/21/76/66/1067217666.db2.gz NXHRWXDDJFENBJ-UHFFFAOYSA-N 0 0 456.667 4.814 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001452375964 1067220805 /nfs/dbraw/zinc/22/08/05/1067220805.db2.gz GKBRRGBNDYEDFO-UHFFFAOYSA-N 0 0 458.204 4.677 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N[C@H](c2cccs2)C(C)(C)CO)cc1[N+](=O)[O-])c1ccccn1 ZINC001452422089 1067223374 /nfs/dbraw/zinc/22/33/74/1067223374.db2.gz KYCHVVFXVSZFTA-YCRPNKLZSA-N 0 0 454.552 4.714 20 5 JJBDRN Cc1cc(Br)c(NC(=O)COc2cccc(C)c2[N+](=O)[O-])c(Br)c1 ZINC001459001424 1067226218 /nfs/dbraw/zinc/22/62/18/1067226218.db2.gz PLXYNGXWKXHLTI-UHFFFAOYSA-N 0 0 458.106 4.754 20 5 JJBDRN COC(=O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1 ZINC001459074754 1067245236 /nfs/dbraw/zinc/24/52/36/1067245236.db2.gz JSFGPFVHIQOKPB-XMMPIXPASA-N 0 0 450.516 4.607 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)c3ccccc32)cc([N+](=O)[O-])c1 ZINC001459112576 1067253121 /nfs/dbraw/zinc/25/31/21/1067253121.db2.gz PHLVTIXZDUIJSZ-GOSISDBHSA-N 0 0 459.502 4.827 20 5 JJBDRN CCOC(=O)c1cc(C(=O)N[C@H](CC)c2cc(F)cc(Br)c2)cc([N+](=O)[O-])c1 ZINC001459147893 1067261092 /nfs/dbraw/zinc/26/10/92/1067261092.db2.gz LABFEHXRDQRQSV-QGZVFWFLSA-N 0 0 453.264 4.554 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001453033408 1067274929 /nfs/dbraw/zinc/27/49/29/1067274929.db2.gz XDDLJJZMANLJDS-LBPRGKRZSA-N 0 0 458.729 4.671 20 5 JJBDRN O=C(COc1cccc(Br)c1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 ZINC001459243525 1067276720 /nfs/dbraw/zinc/27/67/20/1067276720.db2.gz PXVMQLHVNLAAIW-UHFFFAOYSA-N 0 0 451.607 4.630 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC001459259089 1067278925 /nfs/dbraw/zinc/27/89/25/1067278925.db2.gz BFADCPAPVQVLKG-UHFFFAOYSA-N 0 0 459.886 4.745 20 5 JJBDRN C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001459284015 1067282408 /nfs/dbraw/zinc/28/24/08/1067282408.db2.gz QSTXULRQAJHKLS-SNVBAGLBSA-N 0 0 452.307 4.768 20 5 JJBDRN COC(=O)c1ccc(Br)c(COc2ccc(Br)c(C)c2[N+](=O)[O-])c1 ZINC001459283884 1067282553 /nfs/dbraw/zinc/28/25/53/1067282553.db2.gz POTPODGYJXENLY-UHFFFAOYSA-N 0 0 459.090 4.794 20 5 JJBDRN COc1ccc(NC(=O)c2nnc(COc3cc(Cl)c([N+](=O)[O-])cc3Cl)s2)cc1 ZINC001459285249 1067282566 /nfs/dbraw/zinc/28/25/66/1067282566.db2.gz WKNWNCKGIRCKQW-UHFFFAOYSA-N 0 0 455.279 4.593 20 5 JJBDRN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001459299409 1067286377 /nfs/dbraw/zinc/28/63/77/1067286377.db2.gz XHVSHLCDUCGWRA-IBGZPJMESA-N 0 0 454.527 4.938 20 5 JJBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc2ccc(I)cc2s1 ZINC001459303381 1067287770 /nfs/dbraw/zinc/28/77/70/1067287770.db2.gz CVAVYTGJMSVGIB-UHFFFAOYSA-N 0 0 453.261 4.678 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)s1 ZINC001459309360 1067289891 /nfs/dbraw/zinc/28/98/91/1067289891.db2.gz FDUTYYJGQTYDTJ-UHFFFAOYSA-N 0 0 456.499 4.688 20 5 JJBDRN CC1CCN(c2ccc(C(=O)N3CCC(c4ccc(N(C)C)cc4)CC3)cc2[N+](=O)[O-])CC1 ZINC001459324837 1067295411 /nfs/dbraw/zinc/29/54/11/1067295411.db2.gz LUSKWPIQXULTCZ-UHFFFAOYSA-N 0 0 450.583 4.917 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@H](CO)CC1CC1 ZINC001453446418 1067306649 /nfs/dbraw/zinc/30/66/49/1067306649.db2.gz QMHKSUZLGGYGED-GEBKJHSDSA-N 0 0 451.548 4.660 20 5 JJBDRN O=C(/C=C\c1ccccc1)NCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001459374465 1067306803 /nfs/dbraw/zinc/30/68/03/1067306803.db2.gz OEANIYFFWZXECB-KAMYIIQDSA-N 0 0 453.564 4.579 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H](CO)CC1CC1 ZINC001453446423 1067306931 /nfs/dbraw/zinc/30/69/31/1067306931.db2.gz QMHKSUZLGGYGED-IZILLXMLSA-N 0 0 451.548 4.660 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001459414485 1067317320 /nfs/dbraw/zinc/31/73/20/1067317320.db2.gz LPMWUOPQDUCXEY-UHFFFAOYSA-N 0 0 451.435 4.619 20 5 JJBDRN COc1cccc(CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)c1OCc1ccccc1F ZINC001459414489 1067317917 /nfs/dbraw/zinc/31/79/17/1067317917.db2.gz KFKSOWMYPYWCAR-UHFFFAOYSA-N 0 0 452.482 4.913 20 5 JJBDRN CON(C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001453732061 1067324820 /nfs/dbraw/zinc/32/48/20/1067324820.db2.gz DSNJKDBWIFNUFO-JTQLQIEISA-N 0 0 459.808 4.990 20 5 JJBDRN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCCCc4ccc([N+](=O)[O-])cc43)cc2C1 ZINC001453748621 1067327244 /nfs/dbraw/zinc/32/72/44/1067327244.db2.gz IDNANYUZYOBVOL-UHFFFAOYSA-N 0 0 451.523 4.871 20 5 JJBDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001459530548 1067346208 /nfs/dbraw/zinc/34/62/08/1067346208.db2.gz SPVGCYLRXPCOOD-AWEZNQCLSA-N 0 0 452.338 4.803 20 5 JJBDRN CC(C)(C)OC(=O)[C@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC001459564181 1067352735 /nfs/dbraw/zinc/35/27/35/1067352735.db2.gz KZOOJEYXWOGQEV-OXJNMPFZSA-N 0 0 459.930 4.592 20 5 JJBDRN Cc1c(Br)cc(C(=O)Oc2cc(Br)cc(F)c2F)cc1[N+](=O)[O-] ZINC001459567801 1067354039 /nfs/dbraw/zinc/35/40/39/1067354039.db2.gz HRWNFHJMUYCFBY-UHFFFAOYSA-N 0 0 451.017 4.926 20 5 JJBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001459584335 1067357631 /nfs/dbraw/zinc/35/76/31/1067357631.db2.gz GPROXOHQTHYASR-KRWDZBQOSA-N 0 0 452.294 4.544 20 5 JJBDRN COc1ccc(NC(=O)CN2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001459651338 1067372118 /nfs/dbraw/zinc/37/21/18/1067372118.db2.gz DVSHQTALMCWPJD-QFIPXVFZSA-N 0 0 451.910 4.995 20 5 JJBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001459658226 1067373484 /nfs/dbraw/zinc/37/34/84/1067373484.db2.gz WKUFSVYGFYAZOC-MSOLQXFVSA-N 0 0 450.576 4.972 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001459741565 1067402060 /nfs/dbraw/zinc/40/20/60/1067402060.db2.gz GOYZBGHNYAZZGS-UHFFFAOYSA-N 0 0 458.318 4.748 20 5 JJBDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3OC)C2)n1 ZINC001459760606 1067411782 /nfs/dbraw/zinc/41/17/82/1067411782.db2.gz YLQSURHMQOMFIY-HNNXBMFYSA-N 0 0 453.520 4.755 20 5 JJBDRN Cc1c(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cccc1NC(=O)N(C)C ZINC001459766432 1067413891 /nfs/dbraw/zinc/41/38/91/1067413891.db2.gz QZDBEKRZUVTPJL-IYBDPMFKSA-N 0 0 453.543 4.731 20 5 JJBDRN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1ccc(Br)cc1[N+](=O)[O-] ZINC001459783009 1067419485 /nfs/dbraw/zinc/41/94/85/1067419485.db2.gz VNMIOABTHMSEHX-GFCCVEGCSA-N 0 0 458.131 4.697 20 5 JJBDRN COc1ccc(CN(CCc2ccccn2)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001459791694 1067424442 /nfs/dbraw/zinc/42/44/42/1067424442.db2.gz JNUSHIJDFUDJCJ-SFHVURJKSA-N 0 0 451.548 4.751 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)c(C)c([N+](=O)[O-])c1 ZINC001459814870 1067435405 /nfs/dbraw/zinc/43/54/05/1067435405.db2.gz VHAKJIUGPDHDIH-UHFFFAOYSA-N 0 0 456.401 4.896 20 5 JJBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459909710 1067485204 /nfs/dbraw/zinc/48/52/04/1067485204.db2.gz YJHRWHWTGUNTHQ-ZFWWWQNUSA-N 0 0 456.572 4.656 20 5 JJBDRN COc1ccc(Cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cn2)cc1 ZINC001459915692 1067488949 /nfs/dbraw/zinc/48/89/49/1067488949.db2.gz SZXMAUJDHSLMTG-UHFFFAOYSA-N 0 0 457.490 4.713 20 5 JJBDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001459922167 1067492700 /nfs/dbraw/zinc/49/27/00/1067492700.db2.gz UYQLKZUQVMZCEO-UHFFFAOYSA-N 0 0 452.511 4.610 20 5 JJBDRN O=C(CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001459962100 1067508845 /nfs/dbraw/zinc/50/88/45/1067508845.db2.gz CRSNVMPVSJEJEL-KRWDZBQOSA-N 0 0 459.877 4.996 20 5 JJBDRN COc1ccc(CC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC001459977600 1067513232 /nfs/dbraw/zinc/51/32/32/1067513232.db2.gz ZECGWRXAMXKYTM-SFHVURJKSA-N 0 0 456.713 4.855 20 5 JJBDRN O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001459979168 1067513976 /nfs/dbraw/zinc/51/39/76/1067513976.db2.gz QMQUKDMIHUICJI-GOSISDBHSA-N 0 0 453.720 4.908 20 5 JJBDRN Cc1cc(Br)c2c(c1)CN([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001459986052 1067515946 /nfs/dbraw/zinc/51/59/46/1067515946.db2.gz QXDJASGHBBSDFK-LBPRGKRZSA-N 0 0 452.736 4.704 20 5 JJBDRN Cc1cc(Br)c2c(c1)CN([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC001459987724 1067516844 /nfs/dbraw/zinc/51/68/44/1067516844.db2.gz UEOKQHLNBFZHRW-LBPRGKRZSA-N 0 0 452.736 4.704 20 5 JJBDRN CC(C)c1ncc(CN(C)[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC001460003951 1067523254 /nfs/dbraw/zinc/52/32/54/1067523254.db2.gz RBJCJWFBIDKHFZ-NRFANRHFSA-N 0 0 453.930 4.973 20 5 JJBDRN Cc1ccc(CN(CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccco2)c(Br)c1 ZINC001460005374 1067523694 /nfs/dbraw/zinc/52/36/94/1067523694.db2.gz DCLSVWZJAUYHPW-UHFFFAOYSA-N 0 0 458.312 4.900 20 5 JJBDRN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008514 1067525230 /nfs/dbraw/zinc/52/52/30/1067525230.db2.gz WXMPMIDZHJSGKA-GOSISDBHSA-N 0 0 450.564 4.784 20 5 JJBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1OC ZINC001460022704 1067532030 /nfs/dbraw/zinc/53/20/30/1067532030.db2.gz YDQGQOVJLILSQY-UHFFFAOYSA-N 0 0 452.532 4.873 20 5 JJBDRN O=[N+]([O-])c1ccc(Br)c(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC001460058219 1067541447 /nfs/dbraw/zinc/54/14/47/1067541447.db2.gz BZJKRMKHHPINLN-UHFFFAOYSA-N 0 0 459.262 4.860 20 5 JJBDRN COc1cc(C(=O)OCc2cc(F)c(C)cc2F)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001460060482 1067542157 /nfs/dbraw/zinc/54/21/57/1067542157.db2.gz YFRRKOWFFNUBTR-UHFFFAOYSA-N 0 0 450.419 4.583 20 5 JJBDRN Cc1cc(C)n2c(nnc2-c2c(Cl)cccc2NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001460273628 1067595459 /nfs/dbraw/zinc/59/54/59/1067595459.db2.gz YRKMXBXLPYYKLZ-UHFFFAOYSA-N 0 0 450.886 4.839 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC001460294427 1067600500 /nfs/dbraw/zinc/60/05/00/1067600500.db2.gz DCZVFWDAHJRKDF-INIZCTEOSA-N 0 0 458.246 4.685 20 5 JJBDRN O=C(CN1CCC[C@H]1Cc1cc(F)ccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001460294488 1067600602 /nfs/dbraw/zinc/60/06/02/1067600602.db2.gz FEJGFYLQHVONNG-KRWDZBQOSA-N 0 0 458.490 4.642 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001460332012 1067609843 /nfs/dbraw/zinc/60/98/43/1067609843.db2.gz SBTFSEMABZNRNT-GOSISDBHSA-N 0 0 451.447 4.763 20 5 JJBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(Br)cc1Cl ZINC001460348761 1067614284 /nfs/dbraw/zinc/61/42/84/1067614284.db2.gz GFXOLOISGMKVGL-UHFFFAOYSA-N 0 0 454.752 4.784 20 5 JJBDRN NC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC001460429803 1067633202 /nfs/dbraw/zinc/63/32/02/1067633202.db2.gz LVHNUQYLCOCSNF-IBGZPJMESA-N 0 0 455.923 4.746 20 5 JJBDRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001460481778 1067642770 /nfs/dbraw/zinc/64/27/70/1067642770.db2.gz LVVWENYLFUNENM-UHFFFAOYSA-N 0 0 456.300 4.584 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2ccc(Cl)cc2OCC(F)F)c1 ZINC001460570955 1067658106 /nfs/dbraw/zinc/65/81/06/1067658106.db2.gz PMRNZEXRCNUZES-UHFFFAOYSA-N 0 0 450.829 4.698 20 5 JJBDRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001460590164 1067663635 /nfs/dbraw/zinc/66/36/35/1067663635.db2.gz DAAAJICNLWMHOU-FQEVSTJZSA-N 0 0 457.324 4.775 20 5 JJBDRN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(OCc2ccccc2)CCOCC1 ZINC001460591971 1067664420 /nfs/dbraw/zinc/66/44/20/1067664420.db2.gz CVXKAKKWFSBPPV-UHFFFAOYSA-N 0 0 454.504 4.528 20 5 JJBDRN CC(C)(C)CNC(=O)c1ccc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001460601511 1067667436 /nfs/dbraw/zinc/66/74/36/1067667436.db2.gz XZBTXRABWZKODH-UHFFFAOYSA-N 0 0 453.520 4.851 20 5 JJBDRN O=C(Nc1nccn1Cc1ccc(Br)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001460629007 1067677885 /nfs/dbraw/zinc/67/78/85/1067677885.db2.gz AWSXRAHFUFUUPW-UHFFFAOYSA-N 0 0 455.312 4.663 20 5 JJBDRN COc1ccc(CN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C(C)(C)C)cc1 ZINC001460654922 1067689341 /nfs/dbraw/zinc/68/93/41/1067689341.db2.gz VYXJZURAYFGSHE-UHFFFAOYSA-N 0 0 450.539 4.906 20 5 JJBDRN CCSc1cccc(CNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 ZINC001460655827 1067689954 /nfs/dbraw/zinc/68/99/54/1067689954.db2.gz SGUMXRCCMKYKRP-UHFFFAOYSA-N 0 0 459.549 4.681 20 5 JJBDRN CCOC(=O)c1c(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 ZINC001460721548 1067709520 /nfs/dbraw/zinc/70/95/20/1067709520.db2.gz BYTGDEQYPCMDMW-ILXRZTDVSA-N 0 0 459.568 4.636 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c1 ZINC001460735281 1067712221 /nfs/dbraw/zinc/71/22/21/1067712221.db2.gz FUXHILALVNVCFM-FQEVSTJZSA-N 0 0 457.552 4.751 20 5 JJBDRN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460738165 1067712582 /nfs/dbraw/zinc/71/25/82/1067712582.db2.gz NWYRZWCHMGSOLT-VOIUYBSRSA-N 0 0 457.527 4.529 20 5 JJBDRN C[C@@H](c1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1)C(F)(F)F ZINC001460754019 1067716874 /nfs/dbraw/zinc/71/68/74/1067716874.db2.gz APBAVCACAZKTFG-SWLSCSKDSA-N 0 0 456.442 4.670 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001460783424 1067722887 /nfs/dbraw/zinc/72/28/87/1067722887.db2.gz AETZDKKJZPNXEQ-DGCLKSJQSA-N 0 0 458.264 4.789 20 5 JJBDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001460799852 1067726681 /nfs/dbraw/zinc/72/66/81/1067726681.db2.gz XFBGUEXHUDJAEO-GYCJOSAFSA-N 0 0 459.518 4.563 20 5 JJBDRN COc1cc(C(=O)N(CC(C)(C)C)c2ccccn2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001460809536 1067728164 /nfs/dbraw/zinc/72/81/64/1067728164.db2.gz ZPZGRVJJBZQXRK-UHFFFAOYSA-N 0 0 456.524 4.727 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CCC[C@H]1c1ccccc1 ZINC001460810633 1067728216 /nfs/dbraw/zinc/72/82/16/1067728216.db2.gz VTEBDDTYJYEGEN-YJBOKZPZSA-N 0 0 450.276 4.608 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Oc2ccc(Br)c(Cl)c2)c1 ZINC001460813703 1067728779 /nfs/dbraw/zinc/72/87/79/1067728779.db2.gz HKRUNCIKPGKDFR-UHFFFAOYSA-N 0 0 450.676 4.783 20 5 JJBDRN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001460917139 1067747728 /nfs/dbraw/zinc/74/77/28/1067747728.db2.gz VEDQGQSFLBDYLG-CYBMUJFWSA-N 0 0 457.124 4.808 20 5 JJBDRN COc1cc(C(=O)OCc2c(C)cc(C)nc2OCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC001460996888 1067759831 /nfs/dbraw/zinc/75/98/31/1067759831.db2.gz PPVUQBJJNWIAQQ-UHFFFAOYSA-N 0 0 452.463 4.560 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001461007021 1067761306 /nfs/dbraw/zinc/76/13/06/1067761306.db2.gz JLOVOEXIDKNJIJ-FUHWJXTLSA-N 0 0 457.914 4.779 20 5 JJBDRN CCOC(=O)N(C)c1ccc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001461090386 1067780106 /nfs/dbraw/zinc/78/01/06/1067780106.db2.gz DMDSIFGBNQXYMP-UHFFFAOYSA-N 0 0 457.405 4.749 20 5 JJBDRN Cc1cccc(C)c1CN(CC(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001461108561 1067783457 /nfs/dbraw/zinc/78/34/57/1067783457.db2.gz UIZDHYVAIURYHL-XMMPIXPASA-N 0 0 451.567 4.809 20 5 JJBDRN COc1cc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc([N+](=O)[O-])c1C ZINC001461226093 1067804313 /nfs/dbraw/zinc/80/43/13/1067804313.db2.gz WJJRNALEPRFFPV-UHFFFAOYSA-N 0 0 458.729 4.834 20 5 JJBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC001461355292 1067837165 /nfs/dbraw/zinc/83/71/65/1067837165.db2.gz NKHPNOUQSWYABG-UHFFFAOYSA-N 0 0 454.376 4.902 20 5 JJBDRN Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC001461362809 1067838828 /nfs/dbraw/zinc/83/88/28/1067838828.db2.gz WNPINAFLHXVQOE-UHFFFAOYSA-N 0 0 451.410 4.690 20 5 JJBDRN C[C@H](COCC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001461367678 1067839801 /nfs/dbraw/zinc/83/98/01/1067839801.db2.gz UPECPOUTGHFQDH-LJQANCHMSA-N 0 0 451.567 4.599 20 5 JJBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc(C(F)(F)F)c1 ZINC001461408670 1067848592 /nfs/dbraw/zinc/84/85/92/1067848592.db2.gz HAXDSDLQMXWPSW-UHFFFAOYSA-N 0 0 450.154 4.779 20 5 JJBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2[N+](=O)[O-])C1 ZINC001461409623 1067848601 /nfs/dbraw/zinc/84/86/01/1067848601.db2.gz JSLBNUSSIDVGKZ-IYBDPMFKSA-N 0 0 451.552 4.772 20 5 JJBDRN O=C(Nc1ccc2ccn(C(F)F)c2c1)c1ccc(I)c([N+](=O)[O-])c1 ZINC001461410420 1067849084 /nfs/dbraw/zinc/84/90/84/1067849084.db2.gz XRFFPMAQSULUGP-UHFFFAOYSA-N 0 0 457.174 4.802 20 5 JJBDRN O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001461430026 1067853911 /nfs/dbraw/zinc/85/39/11/1067853911.db2.gz ARHKYSGRXBPLQW-FQEVSTJZSA-N 0 0 452.429 4.794 20 5 JJBDRN CN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1)c1nsc2ccccc21 ZINC001461467771 1067864561 /nfs/dbraw/zinc/86/45/61/1067864561.db2.gz DULJJRHNKQFZNI-QFIPXVFZSA-N 0 0 456.524 4.607 20 5 JJBDRN O=C(N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001461473055 1067867035 /nfs/dbraw/zinc/86/70/35/1067867035.db2.gz QZPNGGFHXHVKSN-QFIPXVFZSA-N 0 0 457.939 4.893 20 5 JJBDRN Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001461473916 1067867310 /nfs/dbraw/zinc/86/73/10/1067867310.db2.gz GNJBIFUZLJPYAG-WOJBJXKFSA-N 0 0 457.502 4.565 20 5 JJBDRN O=C(Nc1cccc2c1ccn2C(F)F)c1ccc(I)c([N+](=O)[O-])c1 ZINC001461491535 1067874583 /nfs/dbraw/zinc/87/45/83/1067874583.db2.gz HDJGJAWHODSYKJ-UHFFFAOYSA-N 0 0 457.174 4.802 20 5 JJBDRN O=C(Oc1ccc(OC2CC2)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001461518047 1067880557 /nfs/dbraw/zinc/88/05/57/1067880557.db2.gz CXLALORPAIZQKK-UHFFFAOYSA-N 0 0 450.413 4.977 20 5 JJBDRN Cc1ccc(Sc2ccc(CNc3ccc(C(=O)NCCCO)cc3)cc2[N+](=O)[O-])cc1 ZINC001461563193 1067888848 /nfs/dbraw/zinc/88/88/48/1067888848.db2.gz DTPXCIYBDMCKMP-UHFFFAOYSA-N 0 0 451.548 4.779 20 5 JJBDRN O=[N+]([O-])c1cc(I)cc(CNc2ccc(N3CCCCC3)c(F)c2)c1 ZINC001461702176 1067921590 /nfs/dbraw/zinc/92/15/90/1067921590.db2.gz IUTGKMOODAVOJB-UHFFFAOYSA-N 0 0 455.271 4.941 20 5 JJBDRN CN1C(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001461703198 1067921854 /nfs/dbraw/zinc/92/18/54/1067921854.db2.gz CNGPVEIBQGXGKV-RBZFPXEDSA-N 0 0 459.289 4.608 20 5 JJBDRN CN1C(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001461703212 1067921897 /nfs/dbraw/zinc/92/18/97/1067921897.db2.gz CNGPVEIBQGXGKV-ZUOKHONESA-N 0 0 459.289 4.608 20 5 JJBDRN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001461707428 1067922312 /nfs/dbraw/zinc/92/23/12/1067922312.db2.gz XFKYVGJZRZQBLI-UHFFFAOYSA-N 0 0 455.312 4.835 20 5 JJBDRN CS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccc3ccccc3c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001461720903 1067925149 /nfs/dbraw/zinc/92/51/49/1067925149.db2.gz KTNBJLZFVBEMHR-GOSISDBHSA-N 0 0 453.394 4.612 20 5 JJBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461754344 1067930993 /nfs/dbraw/zinc/93/09/93/1067930993.db2.gz KDXHQNLQXWENPA-BLLLJJGKSA-N 0 0 455.736 4.916 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cccc(-c3nnsc3Cl)c2)c1 ZINC001461872104 1067952111 /nfs/dbraw/zinc/95/21/11/1067952111.db2.gz ZUKKZQKLNBTPPT-UHFFFAOYSA-N 0 0 454.899 4.572 20 5 JJBDRN COc1ccc([C@H]2CCN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cc1F ZINC001461951545 1067967523 /nfs/dbraw/zinc/96/75/23/1067967523.db2.gz DKNWPEGMAKABDP-AWEZNQCLSA-N 0 0 455.408 4.579 20 5 JJBDRN C[C@@H]1[C@@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1C(=O)OC(C)(C)C ZINC001461965374 1067970468 /nfs/dbraw/zinc/97/04/68/1067970468.db2.gz WGVHYCNZBRIHTF-QRWLVFNGSA-N 0 0 457.552 4.874 20 5 JJBDRN Cc1c(C(=O)Oc2cccc3sc(Br)cc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001461977051 1067973546 /nfs/dbraw/zinc/97/35/46/1067973546.db2.gz WARMGSRGBPSIBD-UHFFFAOYSA-N 0 0 459.281 4.680 20 5 JJBDRN COC(=O)[C@](C)(NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)c1cccc([N+](=O)[O-])c1 ZINC001462023607 1067983261 /nfs/dbraw/zinc/98/32/61/1067983261.db2.gz ROTRMAQAAGELMD-LJQANCHMSA-N 0 0 452.410 4.647 20 5 JJBDRN CC[C@@](C)(NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001462097437 1068001677 /nfs/dbraw/zinc/00/16/77/1068001677.db2.gz IZLWTEXQBLCONQ-JOCHJYFZSA-N 0 0 459.499 4.833 20 5 JJBDRN Cc1ccc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C2CCOCC2)cc1F ZINC001462109765 1068005638 /nfs/dbraw/zinc/00/56/38/1068005638.db2.gz MAAXEAOVTUMOOC-UHFFFAOYSA-N 0 0 451.292 4.560 20 5 JJBDRN O=C(Nc1cc(Cl)cc(Cl)c1F)c1ccc(I)c([N+](=O)[O-])c1 ZINC001462331764 1068052440 /nfs/dbraw/zinc/05/24/40/1068052440.db2.gz LYHAKIZFAWDPBH-UHFFFAOYSA-N 0 0 455.010 4.898 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001546130993 1068057195 /nfs/dbraw/zinc/05/71/95/1068057195.db2.gz LQTOWIKLXWSWJP-GOSISDBHSA-N 0 0 470.574 4.537 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CCOCC1 ZINC001546131413 1068067411 /nfs/dbraw/zinc/06/74/11/1068067411.db2.gz ZGJRXXZGIKURRM-IBGZPJMESA-N 0 0 497.518 4.608 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001462512371 1068088676 /nfs/dbraw/zinc/08/86/76/1068088676.db2.gz ADIWLXYHYRVEMO-UHFFFAOYSA-N 0 0 459.465 4.913 20 5 JJBDRN CCCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1OC ZINC001462583812 1068104489 /nfs/dbraw/zinc/10/44/89/1068104489.db2.gz VHHKPSFDQQTKPJ-WSCWJOSJSA-N 0 0 453.539 4.561 20 5 JJBDRN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001462632067 1068118232 /nfs/dbraw/zinc/11/82/32/1068118232.db2.gz XHQJXLZNNXWZAN-QGZVFWFLSA-N 0 0 453.804 4.739 20 5 JJBDRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OC(=O)OC1CCOCC1 ZINC001462693280 1068133410 /nfs/dbraw/zinc/13/34/10/1068133410.db2.gz HMTOXFZPTDFZAE-FQEVSTJZSA-N 0 0 454.479 4.670 20 5 JJBDRN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001462699085 1068135003 /nfs/dbraw/zinc/13/50/03/1068135003.db2.gz IMYWCNMHWKXQNM-UHFFFAOYSA-N 0 0 459.337 4.878 20 5 JJBDRN CCc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001462698473 1068135056 /nfs/dbraw/zinc/13/50/56/1068135056.db2.gz WSDICIIENCJISO-UHFFFAOYSA-N 0 0 451.456 4.698 20 5 JJBDRN COC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001462733673 1068147673 /nfs/dbraw/zinc/14/76/73/1068147673.db2.gz SFONYGDLZIMGCZ-UHFFFAOYSA-N 0 0 456.259 4.609 20 5 JJBDRN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001462743048 1068151913 /nfs/dbraw/zinc/15/19/13/1068151913.db2.gz CRXBVQGJNKVPAS-KRWDZBQOSA-N 0 0 458.458 4.928 20 5 JJBDRN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])oc21 ZINC001462744154 1068152498 /nfs/dbraw/zinc/15/24/98/1068152498.db2.gz SKZVGZNQWFIENS-NSHDSACASA-N 0 0 458.414 4.798 20 5 JJBDRN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])oc21 ZINC001462744152 1068152512 /nfs/dbraw/zinc/15/25/12/1068152512.db2.gz SKZVGZNQWFIENS-LLVKDONJSA-N 0 0 458.414 4.798 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(C(F)(F)F)c1 ZINC001462771886 1068163141 /nfs/dbraw/zinc/16/31/41/1068163141.db2.gz OMAMXYCWGRUYPM-UHFFFAOYSA-N 0 0 453.442 4.663 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCCC2)c(Br)c1 ZINC001462833540 1068183081 /nfs/dbraw/zinc/18/30/81/1068183081.db2.gz UMIFJQUNAJGKFC-IBGZPJMESA-N 0 0 453.358 4.957 20 5 JJBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001462842763 1068186837 /nfs/dbraw/zinc/18/68/37/1068186837.db2.gz LGFZWGPIOHEWJC-IAGOWNOFSA-N 0 0 471.579 4.979 20 5 JJBDRN CC(C)(C)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(F)cc1 ZINC001462853058 1068191019 /nfs/dbraw/zinc/19/10/19/1068191019.db2.gz XSNSQWOQHDMLRO-INIZCTEOSA-N 0 0 459.337 4.952 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCCC2)c1C ZINC001462857249 1068193057 /nfs/dbraw/zinc/19/30/57/1068193057.db2.gz CEKWGIVPSSAPMK-UHFFFAOYSA-N 0 0 453.358 4.722 20 5 JJBDRN COc1cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1 ZINC001462876379 1068199469 /nfs/dbraw/zinc/19/94/69/1068199469.db2.gz VWAQUAUUUGJBDY-KRWDZBQOSA-N 0 0 456.520 4.530 20 5 JJBDRN C[S@@](=O)(=NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(F)cc1 ZINC001462876292 1068199526 /nfs/dbraw/zinc/19/95/26/1068199526.db2.gz UJUKQGOWHFMSLH-LJAQVGFWSA-N 0 0 457.270 4.524 20 5 JJBDRN C[S@](=O)(=NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1cccc(Br)c1 ZINC001462884151 1068202823 /nfs/dbraw/zinc/20/28/23/1068202823.db2.gz RGRKQNHNEOZQNP-AREMUKBSSA-N 0 0 451.220 4.673 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001462954894 1068228738 /nfs/dbraw/zinc/22/87/38/1068228738.db2.gz SDCISAWFQGNGHF-SFHVURJKSA-N 0 0 454.907 4.679 20 5 JJBDRN CC(C)(C)OC(=O)NCC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001462982983 1068239277 /nfs/dbraw/zinc/23/92/77/1068239277.db2.gz ZQEKOVOWPKUYRG-OAHLLOKOSA-N 0 0 459.930 4.982 20 5 JJBDRN Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)cc1[N+](=O)[O-] ZINC001463018202 1068253873 /nfs/dbraw/zinc/25/38/73/1068253873.db2.gz OWUMTIFZSLNQSX-UHFFFAOYSA-N 0 0 457.895 4.878 20 5 JJBDRN C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC001463027155 1068256417 /nfs/dbraw/zinc/25/64/17/1068256417.db2.gz ZDIPGFMBKMRHIH-QGZVFWFLSA-N 0 0 458.511 4.536 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCc2ccccc2Oc2cccc(F)c2)cc1Cl ZINC001463045860 1068263718 /nfs/dbraw/zinc/26/37/18/1068263718.db2.gz ANTGMGIAQXSFAM-UHFFFAOYSA-N 0 0 454.838 4.797 20 5 JJBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1Br ZINC001463052880 1068266915 /nfs/dbraw/zinc/26/69/15/1068266915.db2.gz GHCNJBPKFWZURX-QGZVFWFLSA-N 0 0 459.749 4.830 20 5 JJBDRN CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC001463065737 1068274162 /nfs/dbraw/zinc/27/41/62/1068274162.db2.gz YMSOIOFIZZJTJL-GOSISDBHSA-N 0 0 451.951 4.938 20 5 JJBDRN C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001463083857 1068281197 /nfs/dbraw/zinc/28/11/97/1068281197.db2.gz CAPRMNHLNNGRMT-FDOKIQAASA-N 0 0 459.749 4.686 20 5 JJBDRN Cc1cc(S(=O)(=O)NCc2ccccc2COc2ccccc2Cl)c([N+](=O)[O-])s1 ZINC001463086340 1068282496 /nfs/dbraw/zinc/28/24/96/1068282496.db2.gz CPJMVAFYJAEIKJ-UHFFFAOYSA-N 0 0 452.941 4.676 20 5 JJBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1ccc(Cl)s1 ZINC001463107027 1068289657 /nfs/dbraw/zinc/28/96/57/1068289657.db2.gz BEEFHZUTYLQSHM-SNVBAGLBSA-N 0 0 453.767 4.810 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c1 ZINC001463139021 1068300070 /nfs/dbraw/zinc/30/00/70/1068300070.db2.gz VUZPGFYGNHYVPY-UHFFFAOYSA-N 0 0 459.387 4.599 20 5 JJBDRN Cc1c(NC(=O)CCCCNC(=O)OCc2ccccc2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001463169951 1068308972 /nfs/dbraw/zinc/30/89/72/1068308972.db2.gz QSKHIFPXXYDTGG-UHFFFAOYSA-N 0 0 453.417 4.957 20 5 JJBDRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC001463261858 1068337312 /nfs/dbraw/zinc/33/73/12/1068337312.db2.gz REXRKOAISQNOOO-HSZRJFAPSA-N 0 0 457.527 4.800 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H](C1CCCCC1)C2 ZINC001463294646 1068347412 /nfs/dbraw/zinc/34/74/12/1068347412.db2.gz IVSKFTWMBAJICX-HSZRJFAPSA-N 0 0 458.580 4.916 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CCCSC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC001463363006 1068371999 /nfs/dbraw/zinc/37/19/99/1068371999.db2.gz XNWKUZADLXOAIP-FZKQIMNGSA-N 0 0 454.474 4.673 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001463364247 1068372297 /nfs/dbraw/zinc/37/22/97/1068372297.db2.gz ZKDCIVLHHIHAIE-OSPHWJPCSA-N 0 0 454.523 4.810 20 5 JJBDRN CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001463363200 1068372550 /nfs/dbraw/zinc/37/25/50/1068372550.db2.gz XJVZSTVXZXFSSJ-SFHVURJKSA-N 0 0 451.951 4.746 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001463364243 1068372610 /nfs/dbraw/zinc/37/26/10/1068372610.db2.gz ZKDCIVLHHIHAIE-MZNJEOGPSA-N 0 0 454.523 4.810 20 5 JJBDRN CCOc1ccc([C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 ZINC001463383779 1068379190 /nfs/dbraw/zinc/37/91/90/1068379190.db2.gz SEXGWVDRWMIGAT-IBGZPJMESA-N 0 0 452.941 4.776 20 5 JJBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001463402047 1068385545 /nfs/dbraw/zinc/38/55/45/1068385545.db2.gz XJODTXZXALLESN-OFNKIYASSA-N 0 0 452.532 4.743 20 5 JJBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001463420716 1068392022 /nfs/dbraw/zinc/39/20/22/1068392022.db2.gz BVDUZLICZCYACJ-SFHVURJKSA-N 0 0 453.358 4.876 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC001463446810 1068399782 /nfs/dbraw/zinc/39/97/82/1068399782.db2.gz NFSGAGDFGYBNEX-UHFFFAOYSA-N 0 0 451.957 4.510 20 5 JJBDRN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463454980 1068404309 /nfs/dbraw/zinc/40/43/09/1068404309.db2.gz JCZWZUGXYDEHDV-UHFFFAOYSA-N 0 0 454.348 4.774 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 ZINC001463476986 1068414304 /nfs/dbraw/zinc/41/43/04/1068414304.db2.gz WTLCHLDMTPGRQA-AWEZNQCLSA-N 0 0 456.973 4.824 20 5 JJBDRN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001463533432 1068430951 /nfs/dbraw/zinc/43/09/51/1068430951.db2.gz YCCJXBWIBGFSIH-SNVBAGLBSA-N 0 0 456.364 4.714 20 5 JJBDRN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1Cl ZINC001463564172 1068445751 /nfs/dbraw/zinc/44/57/51/1068445751.db2.gz XXCQXMQZSMECQI-HSZRJFAPSA-N 0 0 452.942 4.893 20 5 JJBDRN CC[C@H]1Cc2c(Br)cccc2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001463608682 1068464704 /nfs/dbraw/zinc/46/47/04/1068464704.db2.gz WWEDLZLSNJPTCH-LBPRGKRZSA-N 0 0 459.749 4.536 20 5 JJBDRN CN(CCOc1ccc(Br)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001463645816 1068479531 /nfs/dbraw/zinc/47/95/31/1068479531.db2.gz VXUPXOHIDHWXHD-UHFFFAOYSA-N 0 0 451.320 4.595 20 5 JJBDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2C)c1 ZINC001463676311 1068490435 /nfs/dbraw/zinc/49/04/35/1068490435.db2.gz SKVYYBGMQVUSDJ-LCYFTJDESA-N 0 0 451.504 4.664 20 5 JJBDRN COc1ccccc1[C@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001463680956 1068491775 /nfs/dbraw/zinc/49/17/75/1068491775.db2.gz OEAAZVRBRJXQNN-SUMWQHHRSA-N 0 0 458.458 4.784 20 5 JJBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 ZINC001463684490 1068493036 /nfs/dbraw/zinc/49/30/36/1068493036.db2.gz RICRRFUEFSLSDT-DYVFJYSZSA-N 0 0 453.358 4.828 20 5 JJBDRN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001463741358 1068509378 /nfs/dbraw/zinc/50/93/78/1068509378.db2.gz CIGXIOVVFFKKCO-OAHLLOKOSA-N 0 0 458.971 4.696 20 5 JJBDRN CC[C@](O)(C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 ZINC001463742510 1068509710 /nfs/dbraw/zinc/50/97/10/1068509710.db2.gz OZPNAZXPOBSGBL-HSZRJFAPSA-N 0 0 454.866 4.704 20 5 JJBDRN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc1C ZINC001463743901 1068510392 /nfs/dbraw/zinc/51/03/92/1068510392.db2.gz OAVZFIPPTSKFKA-UHFFFAOYSA-N 0 0 455.518 4.919 20 5 JJBDRN Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Br)c(F)cc1[N+](=O)[O-] ZINC001463804808 1068531341 /nfs/dbraw/zinc/53/13/41/1068531341.db2.gz GMGPPEHJJVEFFU-UHFFFAOYSA-N 0 0 459.076 4.879 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001463847086 1068546641 /nfs/dbraw/zinc/54/66/41/1068546641.db2.gz SMWATCONSXVSOK-OAHLLOKOSA-N 0 0 455.323 4.694 20 5 JJBDRN COC(=O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1 ZINC001463925069 1068567255 /nfs/dbraw/zinc/56/72/55/1068567255.db2.gz QNZVRBWAJRVWND-UHFFFAOYSA-N 0 0 453.882 4.828 20 5 JJBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cc1F ZINC001464126498 1068624938 /nfs/dbraw/zinc/62/49/38/1068624938.db2.gz ZYUSMBQSAMLWOK-MRXNPFEDSA-N 0 0 457.321 4.551 20 5 JJBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC3(C=Cc4ccccc4O3)CC2)c1Cl ZINC001464175587 1068643625 /nfs/dbraw/zinc/64/36/25/1068643625.db2.gz ZALIBIWYPOKNFD-UHFFFAOYSA-N 0 0 455.319 4.531 20 5 JJBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464236111 1068668370 /nfs/dbraw/zinc/66/83/70/1068668370.db2.gz IGHHEINHXZVISZ-YPMHNXCESA-N 0 0 459.749 4.577 20 5 JJBDRN Cc1cc(Br)ccc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464240329 1068671349 /nfs/dbraw/zinc/67/13/49/1068671349.db2.gz RKOXGHQWRMNEQG-OAHLLOKOSA-N 0 0 459.749 4.845 20 5 JJBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)c1 ZINC001464262216 1068679867 /nfs/dbraw/zinc/67/98/67/1068679867.db2.gz ZBOSSTNEWOHSGU-KRWDZBQOSA-N 0 0 459.749 4.678 20 5 JJBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC001464274292 1068685460 /nfs/dbraw/zinc/68/54/60/1068685460.db2.gz NQOFUJWYVNCCMK-UHFFFAOYSA-N 0 0 454.280 4.791 20 5 JJBDRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1F)Nc1ccccc1F ZINC001464281868 1068690196 /nfs/dbraw/zinc/69/01/96/1068690196.db2.gz QHQHFWXQBJARSB-UHFFFAOYSA-N 0 0 459.836 4.808 20 5 JJBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1ccc(C(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001464294909 1068695650 /nfs/dbraw/zinc/69/56/50/1068695650.db2.gz ZQVQDMFANWQLRE-MRXNPFEDSA-N 0 0 450.413 4.913 20 5 JJBDRN Cc1cc(Oc2cc(Cl)ccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC001464368603 1068720618 /nfs/dbraw/zinc/72/06/18/1068720618.db2.gz AVMHGVBFQMTECE-UHFFFAOYSA-N 0 0 450.875 4.967 20 5 JJBDRN Nc1c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc(Br)cc1[N+](=O)[O-] ZINC001464375486 1068723548 /nfs/dbraw/zinc/72/35/48/1068723548.db2.gz WWHLTSMHPYSBCS-UHFFFAOYSA-N 0 0 453.724 4.836 20 5 JJBDRN CN(C1(Cc2ccccc2)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC001464438034 1068745617 /nfs/dbraw/zinc/74/56/17/1068745617.db2.gz WBGLMVRQJRQNMV-UHFFFAOYSA-N 0 0 453.358 4.533 20 5 JJBDRN COC(=O)CCCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001464582088 1068790769 /nfs/dbraw/zinc/79/07/69/1068790769.db2.gz PMYBVBWDXOHGHG-UHFFFAOYSA-N 0 0 456.442 4.838 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Oc2ccc(OCc3ccccc3F)cc2)c1 ZINC001464586251 1068792112 /nfs/dbraw/zinc/79/21/12/1068792112.db2.gz YDYNKHNCWOLVSE-UHFFFAOYSA-N 0 0 455.822 4.873 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC001464610896 1068798568 /nfs/dbraw/zinc/79/85/68/1068798568.db2.gz AGSSFNYHGKAUHY-MRXNPFEDSA-N 0 0 459.218 4.590 20 5 JJBDRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001464629324 1068803695 /nfs/dbraw/zinc/80/36/95/1068803695.db2.gz XQKANFJWOPFUQC-UHFFFAOYSA-N 0 0 456.259 4.609 20 5 JJBDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001464648466 1068810791 /nfs/dbraw/zinc/81/07/91/1068810791.db2.gz KJDHTJYQPHKATD-LJQANCHMSA-N 0 0 457.328 4.633 20 5 JJBDRN CC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1c1ccccc1 ZINC001464658843 1068814208 /nfs/dbraw/zinc/81/42/08/1068814208.db2.gz ASBMFAWMXOWNDX-INIZCTEOSA-N 0 0 453.358 4.562 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)cc1Br ZINC001464664833 1068816561 /nfs/dbraw/zinc/81/65/61/1068816561.db2.gz HBSFUFSJAVQOFA-CVEARBPZSA-N 0 0 453.358 4.752 20 5 JJBDRN COc1ccc([C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c2ccc(C(F)(F)F)cc2)cc1 ZINC001546148773 1068827359 /nfs/dbraw/zinc/82/73/59/1068827359.db2.gz FZFUHEAZFUJYBY-OAHLLOKOSA-N 0 0 454.792 4.518 20 5 JJBDRN O=C1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]12 ZINC001164405121 718849555 /nfs/dbraw/zinc/84/95/55/718849555.db2.gz KWNAMCNENJEEJL-IRXDYDNUSA-N 0 0 456.836 4.666 20 5 JJBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@H]12 ZINC001164404513 718849680 /nfs/dbraw/zinc/84/96/80/718849680.db2.gz JLRDSQZKJASKQR-SJORKVTESA-N 0 0 456.836 4.666 20 5 JJBDRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]12 ZINC001164407560 718849912 /nfs/dbraw/zinc/84/99/12/718849912.db2.gz PVZSHAIQTSRGSR-HZPDHXFCSA-N 0 0 456.836 4.666 20 5 JJBDRN O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nn2)ccc1Cl ZINC001164679382 719528596 /nfs/dbraw/zinc/52/85/96/719528596.db2.gz ZJIQYWUVKSAGKM-UHFFFAOYSA-N 0 0 497.958 4.716 20 5 JJBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164821719 720394164 /nfs/dbraw/zinc/39/41/64/720394164.db2.gz HUXOVHLLJUBINI-GOSISDBHSA-N 0 0 458.843 4.930 20 5 JJBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)c1 ZINC001164825771 720394503 /nfs/dbraw/zinc/39/45/03/720394503.db2.gz VGZISPHJNAMXGI-GOSISDBHSA-N 0 0 458.843 4.930 20 5 JJBDRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)C2 ZINC001164852156 720829656 /nfs/dbraw/zinc/82/96/56/720829656.db2.gz ZHUCYTJFTHDIHW-PZJWPPBQSA-N 0 0 467.900 4.877 20 5 JJBDRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccsc1 ZINC001164882797 721360078 /nfs/dbraw/zinc/36/00/78/721360078.db2.gz LCCFRCLSZXJNIU-MSOLQXFVSA-N 0 0 491.907 4.696 20 5 JJBDRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CCO3)cs1 ZINC001164786336 721443501 /nfs/dbraw/zinc/44/35/01/721443501.db2.gz UREGMESYAKICBM-LIRRHRJNSA-N 0 0 488.944 4.545 20 5 JJBDRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CCO3)cs1 ZINC001164786333 721443745 /nfs/dbraw/zinc/44/37/45/721443745.db2.gz UREGMESYAKICBM-KUHUBIRLSA-N 0 0 488.944 4.545 20 5 JJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)cnc2Cl)c1 ZINC001164896711 721488291 /nfs/dbraw/zinc/48/82/91/721488291.db2.gz QGSYQSJFAJMDGP-INIZCTEOSA-N 0 0 499.909 4.585 20 5 JJBDRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C3)c1 ZINC001164802154 721600906 /nfs/dbraw/zinc/60/09/06/721600906.db2.gz RHUVQYDQIXZJGW-JXFKEZNVSA-N 0 0 452.889 4.715 20 5 JJBDRN O=C(C1=CC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)c2ccccc21)N1CCCC1 ZINC001164926513 721899403 /nfs/dbraw/zinc/89/94/03/721899403.db2.gz BXBPVEGSTVQFDK-UHFFFAOYSA-N 0 0 488.922 4.746 20 5 JJBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)nc1Cl ZINC001165043723 721939736 /nfs/dbraw/zinc/93/97/36/721939736.db2.gz CXZAUHRMLQQOGS-UHFFFAOYSA-N 0 0 454.264 4.716 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001165050763 721994128 /nfs/dbraw/zinc/99/41/28/721994128.db2.gz AFQMAOSCNCBFDP-CYBMUJFWSA-N 0 0 468.888 4.808 20 5 JJBDRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001165000392 722220813 /nfs/dbraw/zinc/22/08/13/722220813.db2.gz XDKBAXZGEBYCOY-LJQANCHMSA-N 0 0 476.911 4.768 20 5 JJBDRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164999984 722221424 /nfs/dbraw/zinc/22/14/24/722221424.db2.gz UTIMSUYRTGONIP-LJQANCHMSA-N 0 0 476.911 4.768 20 5 JJBDRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)C1 ZINC001359728601 1064276537 /nfs/dbraw/zinc/27/65/37/1064276537.db2.gz GYYAWUUQQGYCIF-OAQYLSRUSA-N 0 0 468.602 4.518 20 5 JJBDRN CC(C)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccc(C(F)F)n2)C1 ZINC001359729363 1064279915 /nfs/dbraw/zinc/27/99/15/1064279915.db2.gz YEOJDANOZCKPJO-MRXNPFEDSA-N 0 0 457.485 4.502 20 5 JJBDRN CCC(CC)NC(=O)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC1=CCCCC1 ZINC001545881670 1064297325 /nfs/dbraw/zinc/29/73/25/1064297325.db2.gz CTGUTJVTJKIVGM-UHFFFAOYSA-N 0 0 496.612 4.653 20 5 JJBDRN CC(C)C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1nccs1 ZINC001545884056 1064300266 /nfs/dbraw/zinc/30/02/66/1064300266.db2.gz ICFRCWIAJSQHIW-GOSISDBHSA-N 0 0 453.524 4.578 20 5 JJBDRN O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001434875192 1064309600 /nfs/dbraw/zinc/30/96/00/1064309600.db2.gz FAEUVGZYUKFFAU-UHFFFAOYSA-N 0 0 450.413 4.974 20 5 JJBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC001434886111 1064318503 /nfs/dbraw/zinc/31/85/03/1064318503.db2.gz OETUHVZOJSKNFS-UHFFFAOYSA-N 0 0 451.910 4.792 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001359762003 1064373761 /nfs/dbraw/zinc/37/37/61/1064373761.db2.gz OTSTZWQOCAGTEC-XJUOHMSHSA-N 0 0 471.602 4.556 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001359762648 1064376640 /nfs/dbraw/zinc/37/66/40/1064376640.db2.gz XMASKEYFSROAHM-QOJCHSLYSA-N 0 0 481.519 4.939 20 5 JJBDRN CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001359762837 1064377252 /nfs/dbraw/zinc/37/72/52/1064377252.db2.gz ZQYWXRQJQSORII-RDPSFJRHSA-N 0 0 484.645 4.553 20 5 JJBDRN CC(C)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001435000214 1064414659 /nfs/dbraw/zinc/41/46/59/1064414659.db2.gz BSEWFAUAAJJUTA-QGZVFWFLSA-N 0 0 458.458 4.534 20 5 JJBDRN Cc1ccccc1CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001435008807 1064424643 /nfs/dbraw/zinc/42/46/43/1064424643.db2.gz MCFYGLMCXRBALW-UHFFFAOYSA-N 0 0 452.292 4.567 20 5 JJBDRN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001435012116 1064428084 /nfs/dbraw/zinc/42/80/84/1064428084.db2.gz GLMXBIWLLOBZLL-UHFFFAOYSA-N 0 0 454.335 4.651 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCCCCc1ccccc1 ZINC001435019420 1064435967 /nfs/dbraw/zinc/43/59/67/1064435967.db2.gz PBSQKDJTSCTDHV-UHFFFAOYSA-N 0 0 452.292 4.651 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(CCc1ccccc1)Cc1ccncc1 ZINC001435020748 1064437871 /nfs/dbraw/zinc/43/78/71/1064437871.db2.gz XJWFLZGYOXVNQO-UHFFFAOYSA-N 0 0 454.324 4.566 20 5 JJBDRN COc1ccc(C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2)cc1OC ZINC001435021173 1064438711 /nfs/dbraw/zinc/43/87/11/1064438711.db2.gz QTLFSVBWROXIQQ-HSZRJFAPSA-N 0 0 459.502 4.736 20 5 JJBDRN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4c(C)c(C)ccc4[N+](=O)[O-])cc32)c1 ZINC001435034170 1064451083 /nfs/dbraw/zinc/45/10/83/1064451083.db2.gz ZBIQCWURVPMWCV-UHFFFAOYSA-N 0 0 459.502 4.604 20 5 JJBDRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001435037735 1064453829 /nfs/dbraw/zinc/45/38/29/1064453829.db2.gz KYUVDRWYXTYSLK-UHFFFAOYSA-N 0 0 455.348 4.667 20 5 JJBDRN COc1ccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Br ZINC001359810081 1064484989 /nfs/dbraw/zinc/48/49/89/1064484989.db2.gz HASRDJONJQOZKI-QFIPXVFZSA-N 0 0 455.308 4.814 20 5 JJBDRN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001435067828 1064488499 /nfs/dbraw/zinc/48/84/99/1064488499.db2.gz MJSPUJMDCSFLTI-QFIPXVFZSA-N 0 0 455.898 4.912 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001435082340 1064503649 /nfs/dbraw/zinc/50/36/49/1064503649.db2.gz AGUCICXXMNJFTB-AWEZNQCLSA-N 0 0 453.264 4.615 20 5 JJBDRN CN(CC(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001435091667 1064509042 /nfs/dbraw/zinc/50/90/42/1064509042.db2.gz OEVTZBUOOUGJNN-UHFFFAOYSA-N 0 0 451.445 4.901 20 5 JJBDRN COC(=O)c1cc(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc([N+](=O)[O-])c1 ZINC001435098483 1064512605 /nfs/dbraw/zinc/51/26/05/1064512605.db2.gz COJGYPMCVTWVFS-LLVKDONJSA-N 0 0 459.911 4.958 20 5 JJBDRN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001359837914 1064524857 /nfs/dbraw/zinc/52/48/57/1064524857.db2.gz PYSIMZQEYREWMR-QRQCRPRQSA-N 0 0 453.967 4.771 20 5 JJBDRN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC ZINC001435120515 1064526784 /nfs/dbraw/zinc/52/67/84/1064526784.db2.gz RMAMEZZGYHFUEC-INIZCTEOSA-N 0 0 450.944 4.655 20 5 JJBDRN CSc1ccc(C(=O)c2ccccc2C(=O)NCCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC001435133863 1064537665 /nfs/dbraw/zinc/53/76/65/1064537665.db2.gz KKUZMZCWVGZHEI-UHFFFAOYSA-N 0 0 456.470 4.798 20 5 JJBDRN CC(C)Cc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359852095 1064539658 /nfs/dbraw/zinc/53/96/58/1064539658.db2.gz KCOCWGZVXQUNNZ-HYBUGGRVSA-N 0 0 484.645 4.553 20 5 JJBDRN CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001359858390 1064545880 /nfs/dbraw/zinc/54/58/80/1064545880.db2.gz LRBQURRXTFPMBA-XMMPIXPASA-N 0 0 459.481 4.875 20 5 JJBDRN COc1ccc(OC(F)F)c(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC001435153018 1064552047 /nfs/dbraw/zinc/55/20/47/1064552047.db2.gz OKTODCBEDZCQFJ-UHFFFAOYSA-N 0 0 450.438 4.798 20 5 JJBDRN CCOC(=O)c1sc(N(C)C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1C ZINC001359868737 1064561141 /nfs/dbraw/zinc/56/11/41/1064561141.db2.gz UCVHULVDCDJKKB-UHFFFAOYSA-N 0 0 457.533 4.964 20 5 JJBDRN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC001435180333 1064571986 /nfs/dbraw/zinc/57/19/86/1064571986.db2.gz JVKFGCLJOZCLIM-JGCGQSQUSA-N 0 0 454.504 4.535 20 5 JJBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001435180958 1064572725 /nfs/dbraw/zinc/57/27/25/1064572725.db2.gz WSSRQBBGRBQGLF-UHFFFAOYSA-N 0 0 454.280 4.540 20 5 JJBDRN O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001435186276 1064575814 /nfs/dbraw/zinc/57/58/14/1064575814.db2.gz RNTSVQSIAXYZTC-FQEVSTJZSA-N 0 0 452.429 4.750 20 5 JJBDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)s2)cc1 ZINC001435189766 1064578873 /nfs/dbraw/zinc/57/88/73/1064578873.db2.gz SHOTUDBZWYAMMH-AWEZNQCLSA-N 0 0 450.520 4.867 20 5 JJBDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2sccc2C1 ZINC001359888465 1064585442 /nfs/dbraw/zinc/58/54/42/1064585442.db2.gz CZKXWNXYOAPOEV-QHCPKHFHSA-N 0 0 455.584 4.665 20 5 JJBDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001359889779 1064588283 /nfs/dbraw/zinc/58/82/83/1064588283.db2.gz PVWUMWWBQSKCJP-SQJMNOBHSA-N 0 0 473.618 4.824 20 5 JJBDRN CC(C)CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001359890086 1064588737 /nfs/dbraw/zinc/58/87/37/1064588737.db2.gz RLZJDKPYIPYLRJ-DYESRHJHSA-N 0 0 469.508 4.819 20 5 JJBDRN COc1cc(Cl)c(Br)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001435203595 1064590237 /nfs/dbraw/zinc/59/02/37/1064590237.db2.gz VLIFMYLXBJQWBR-QGZVFWFLSA-N 0 0 457.733 4.907 20 5 JJBDRN CC(C)CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001359891222 1064591729 /nfs/dbraw/zinc/59/17/29/1064591729.db2.gz YSAZWWRUDSMSDD-NRFANRHFSA-N 0 0 468.385 4.940 20 5 JJBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001359893225 1064594698 /nfs/dbraw/zinc/59/46/98/1064594698.db2.gz JOXVGMOOVLQYOH-UHFFFAOYSA-N 0 0 450.401 4.890 20 5 JJBDRN CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC001435214231 1064595024 /nfs/dbraw/zinc/59/50/24/1064595024.db2.gz VALSUTJNUIERBO-QFIPXVFZSA-N 0 0 452.442 4.987 20 5 JJBDRN COc1ccc(C2(C(=O)OCc3ccc([N+](=O)[O-])cc3Br)CCC2)cc1OC ZINC001435222734 1064603048 /nfs/dbraw/zinc/60/30/48/1064603048.db2.gz TZDGFMZGCQOTLA-UHFFFAOYSA-N 0 0 450.285 4.540 20 5 JJBDRN C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1-c1ccc(Cl)cc1 ZINC001435232666 1064612866 /nfs/dbraw/zinc/61/28/66/1064612866.db2.gz LFMQFNKGWPWROI-AWEZNQCLSA-N 0 0 451.866 4.701 20 5 JJBDRN CC(C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001359904574 1064619572 /nfs/dbraw/zinc/61/95/72/1064619572.db2.gz QQNVNDQPMVOPLO-UHFFFAOYSA-N 0 0 469.977 4.665 20 5 JJBDRN CC(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001359908249 1064624722 /nfs/dbraw/zinc/62/47/22/1064624722.db2.gz XKALFXBXGSZSPJ-UHFFFAOYSA-N 0 0 473.528 4.530 20 5 JJBDRN CC(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001359911563 1064628371 /nfs/dbraw/zinc/62/83/71/1064628371.db2.gz BHWTXEGJBUDUDF-DHIUTWEWSA-N 0 0 484.645 4.868 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC001435262494 1064639500 /nfs/dbraw/zinc/63/95/00/1064639500.db2.gz WTDMLOBPRAJNNV-LJQANCHMSA-N 0 0 459.543 4.750 20 5 JJBDRN Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC001435263903 1064639709 /nfs/dbraw/zinc/63/97/09/1064639709.db2.gz MPCXCAXJJCMONF-UHFFFAOYSA-N 0 0 453.539 4.974 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC001435300432 1064675285 /nfs/dbraw/zinc/67/52/85/1064675285.db2.gz MEXIRYQKOHXXQI-INIZCTEOSA-N 0 0 454.470 4.771 20 5 JJBDRN CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001359938896 1064682695 /nfs/dbraw/zinc/68/26/95/1064682695.db2.gz NZVGYRLVHJYUOH-FQEVSTJZSA-N 0 0 498.628 4.910 20 5 JJBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC001435319821 1064693705 /nfs/dbraw/zinc/69/37/05/1064693705.db2.gz UKMKVDQVJSFKOL-LBPRGKRZSA-N 0 0 456.442 4.760 20 5 JJBDRN Cc1ccc([C@H](C)NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC001435323723 1064696449 /nfs/dbraw/zinc/69/64/49/1064696449.db2.gz OHLXNWDJNLSFSV-INIZCTEOSA-N 0 0 451.454 4.551 20 5 JJBDRN Cc1ccc([C@@H](C)NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC001435323726 1064696598 /nfs/dbraw/zinc/69/65/98/1064696598.db2.gz OHLXNWDJNLSFSV-MRXNPFEDSA-N 0 0 451.454 4.551 20 5 JJBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001435329602 1064700687 /nfs/dbraw/zinc/70/06/87/1064700687.db2.gz GMQRIOXHNCVPSD-QHCPKHFHSA-N 0 0 456.857 4.607 20 5 JJBDRN CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001435340722 1064709946 /nfs/dbraw/zinc/70/99/46/1064709946.db2.gz SFUOQGLHJPUFCF-FGZHOGPDSA-N 0 0 458.534 4.900 20 5 JJBDRN CCc1cnc(CCNC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 ZINC001435341393 1064710590 /nfs/dbraw/zinc/71/05/90/1064710590.db2.gz JHBCXRLRCTVRGU-UHFFFAOYSA-N 0 0 455.561 4.539 20 5 JJBDRN COC[C@@H](C)[C@@H](C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435349348 1064716190 /nfs/dbraw/zinc/71/61/90/1064716190.db2.gz CILSHDQBQKHZPU-VXGBXAGGSA-N 0 0 455.294 4.978 20 5 JJBDRN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001435359280 1064723289 /nfs/dbraw/zinc/72/32/89/1064723289.db2.gz RWDIDWNEEWSIHR-NNWRFLSQSA-N 0 0 459.587 4.992 20 5 JJBDRN CCOC(=O)c1ccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)o1 ZINC001435374860 1064729064 /nfs/dbraw/zinc/72/90/64/1064729064.db2.gz LOZHGBPOHLNAFN-UHFFFAOYSA-N 0 0 457.870 4.560 20 5 JJBDRN O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1I ZINC001435384370 1064732812 /nfs/dbraw/zinc/73/28/12/1064732812.db2.gz RHYSYFVCEJYXNA-UHFFFAOYSA-N 0 0 452.031 4.863 20 5 JJBDRN COc1cccc(C(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1 ZINC001435385456 1064733365 /nfs/dbraw/zinc/73/33/65/1064733365.db2.gz OGGFROBPQNMAGR-MRXNPFEDSA-N 0 0 452.532 4.998 20 5 JJBDRN C[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2N(Cc2ccccc2)C1=O ZINC001435384969 1064733379 /nfs/dbraw/zinc/73/33/79/1064733379.db2.gz LEKIREIJYSZGRB-OAHLLOKOSA-N 0 0 451.429 4.703 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC001435394460 1064737157 /nfs/dbraw/zinc/73/71/57/1064737157.db2.gz CPAWFVPEGAXZKZ-FQEVSTJZSA-N 0 0 459.465 4.526 20 5 JJBDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001435420932 1064749324 /nfs/dbraw/zinc/74/93/24/1064749324.db2.gz BEENUOGEBKRWLI-OAHLLOKOSA-N 0 0 451.232 4.938 20 5 JJBDRN COc1cc(F)cc2sc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 ZINC001359972508 1064749233 /nfs/dbraw/zinc/74/92/33/1064749233.db2.gz XIEGRBJLLFDFQF-UHFFFAOYSA-N 0 0 458.393 4.812 20 5 JJBDRN O=C(Nc1cc2c(cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCCO2)c1cccs1 ZINC001435444625 1064760795 /nfs/dbraw/zinc/76/07/95/1064760795.db2.gz CXXXGNWDZRTHFD-UHFFFAOYSA-N 0 0 459.867 4.586 20 5 JJBDRN COc1cc(C(=O)NCCc2c(F)cccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001435448508 1064763684 /nfs/dbraw/zinc/76/36/84/1064763684.db2.gz DXDZADOWNZZPJK-UHFFFAOYSA-N 0 0 458.873 4.947 20 5 JJBDRN CCCOc1ccc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC001435453167 1064765046 /nfs/dbraw/zinc/76/50/46/1064765046.db2.gz AOVZYEWKIZLEJQ-UHFFFAOYSA-N 0 0 459.243 4.678 20 5 JJBDRN Cc1sc([C@@H](C)NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nc1-c1ccc(Cl)cc1 ZINC001435469659 1064775871 /nfs/dbraw/zinc/77/58/71/1064775871.db2.gz IQXPNLLAVQPRTB-GFCCVEGCSA-N 0 0 455.927 4.907 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCC(N4CCCCC4=O)CC3)cc2[N+](=O)[O-])cc1 ZINC001435474729 1064779089 /nfs/dbraw/zinc/77/90/89/1064779089.db2.gz AEXKEAAIIBDJSU-UHFFFAOYSA-N 0 0 453.564 4.672 20 5 JJBDRN Cc1coc(-c2cc(NC(=O)CN(C)c3cc(Br)ccc3[N+](=O)[O-])ccc2C)n1 ZINC001435475614 1064779570 /nfs/dbraw/zinc/77/95/70/1064779570.db2.gz ODFIBYNOGYLZGC-UHFFFAOYSA-N 0 0 459.300 4.704 20 5 JJBDRN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1csc(Br)c1 ZINC001359995583 1064781159 /nfs/dbraw/zinc/78/11/59/1064781159.db2.gz ZQASNLHBZZJQRZ-UHFFFAOYSA-N 0 0 450.362 4.970 20 5 JJBDRN CO[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001435486221 1064785401 /nfs/dbraw/zinc/78/54/01/1064785401.db2.gz YBTCILXINYNYKN-IVZQSRNASA-N 0 0 454.914 4.934 20 5 JJBDRN COc1ccc(CSCC(=O)N2CCSc3ccc(C(F)(F)F)cc32)cc1[N+](=O)[O-] ZINC001435517932 1064801105 /nfs/dbraw/zinc/80/11/05/1064801105.db2.gz GYRKOICSKMRCQU-UHFFFAOYSA-N 0 0 458.483 4.994 20 5 JJBDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001435523042 1064805715 /nfs/dbraw/zinc/80/57/15/1064805715.db2.gz BMWYPRKYGXVFLY-CYBMUJFWSA-N 0 0 456.134 4.871 20 5 JJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC001435530167 1064811220 /nfs/dbraw/zinc/81/12/20/1064811220.db2.gz OJBCMGHCZSHWGV-OAHLLOKOSA-N 0 0 453.495 4.783 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1 ZINC001435538413 1064816017 /nfs/dbraw/zinc/81/60/17/1064816017.db2.gz BROIDGOWGINJNX-UHFFFAOYSA-N 0 0 450.514 4.915 20 5 JJBDRN Cc1ccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c(O[C@@H](C)CC(C)C)c1 ZINC001435553572 1064827050 /nfs/dbraw/zinc/82/70/50/1064827050.db2.gz URKJPZNLUIZAAO-KRWDZBQOSA-N 0 0 454.502 4.971 20 5 JJBDRN O=C(Nc1ccc2cccc(Br)c2n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001435555276 1064828310 /nfs/dbraw/zinc/82/83/10/1064828310.db2.gz BASLHSOIPQSZSF-UHFFFAOYSA-N 0 0 455.312 4.761 20 5 JJBDRN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC001435556806 1064829182 /nfs/dbraw/zinc/82/91/82/1064829182.db2.gz ILVHYWMENKJLJF-UHFFFAOYSA-N 0 0 455.518 4.939 20 5 JJBDRN CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(C)(C)C2)CC1 ZINC001360038970 1064851415 /nfs/dbraw/zinc/85/14/15/1064851415.db2.gz KDDKCQKXUDMLLA-UHFFFAOYSA-N 0 0 484.601 4.594 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC001435591699 1064857418 /nfs/dbraw/zinc/85/74/18/1064857418.db2.gz HOUVNKPQJHMFJZ-KRWDZBQOSA-N 0 0 454.939 4.803 20 5 JJBDRN Cc1ccccc1[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001360043224 1064860286 /nfs/dbraw/zinc/86/02/86/1064860286.db2.gz FAXGBNLQIFNUGX-XSSDXNQZSA-N 0 0 455.580 4.778 20 5 JJBDRN COC(=O)c1cc(Br)cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1Cl ZINC001435621860 1064883490 /nfs/dbraw/zinc/88/34/90/1064883490.db2.gz PLWAVEJMHAKAFJ-UHFFFAOYSA-N 0 0 459.705 4.772 20 5 JJBDRN CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C(C)C)cs2)C1 ZINC001360057735 1064891639 /nfs/dbraw/zinc/89/16/39/1064891639.db2.gz NFJHUOZTHMWQRH-IBGZPJMESA-N 0 0 470.599 4.733 20 5 JJBDRN CCC1(CC)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c2ccccc21 ZINC001435630457 1064891772 /nfs/dbraw/zinc/89/17/72/1064891772.db2.gz OPQXYUHBZUFYCD-UHFFFAOYSA-N 0 0 450.276 4.918 20 5 JJBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(OCc2cn3ccccc3n2)c1 ZINC001360059580 1064898337 /nfs/dbraw/zinc/89/83/37/1064898337.db2.gz GZCOCDJWGHDDDT-UHFFFAOYSA-N 0 0 454.845 4.795 20 5 JJBDRN CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001435659408 1064914138 /nfs/dbraw/zinc/91/41/38/1064914138.db2.gz OWUIMYOMMIHDFP-QWHCGFSZSA-N 0 0 459.549 4.673 20 5 JJBDRN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001435663824 1064918037 /nfs/dbraw/zinc/91/80/37/1064918037.db2.gz VSANFAAKTKXKFP-WOJBJXKFSA-N 0 0 451.523 4.791 20 5 JJBDRN CC(C)CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001360076529 1064926415 /nfs/dbraw/zinc/92/64/15/1064926415.db2.gz RAIOXDAZUAMJDS-FQEVSTJZSA-N 0 0 483.642 4.750 20 5 JJBDRN CN(C(=O)[C@H](OC1CCOCC1)c1ccccc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435675400 1064927951 /nfs/dbraw/zinc/92/79/51/1064927951.db2.gz VLVVVTYGTIOXMN-OAQYLSRUSA-N 0 0 453.520 4.618 20 5 JJBDRN CN(C(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001435676230 1064928636 /nfs/dbraw/zinc/92/86/36/1064928636.db2.gz ZPLUKFFGJUMAMN-ZRDIBKRKSA-N 0 0 455.492 4.943 20 5 JJBDRN Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)cc2)c(C)c1[N+](=O)[O-] ZINC001435685437 1064933275 /nfs/dbraw/zinc/93/32/75/1064933275.db2.gz RPVVPEMVSSOIKP-FQEVSTJZSA-N 0 0 454.914 4.754 20 5 JJBDRN CC(C)CSCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001360080057 1064936463 /nfs/dbraw/zinc/93/64/63/1064936463.db2.gz UGKDZBYTXQRMHB-UHFFFAOYSA-N 0 0 474.675 4.881 20 5 JJBDRN CN(C)c1cc(Br)cc(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])c1 ZINC001435691121 1064937334 /nfs/dbraw/zinc/93/73/34/1064937334.db2.gz JOFWOQOIQPTWLE-FQEVSTJZSA-N 0 0 456.296 4.765 20 5 JJBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001435692787 1064939357 /nfs/dbraw/zinc/93/93/57/1064939357.db2.gz URBAKNDTHGPQBQ-BFUOFWGJSA-N 0 0 451.317 4.651 20 5 JJBDRN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1ccc(-c2noc(C(F)F)n2)cc1 ZINC001435692674 1064939614 /nfs/dbraw/zinc/93/96/14/1064939614.db2.gz ZQBMIZANXYQODB-SFHVURJKSA-N 0 0 452.373 4.924 20 5 JJBDRN COCCOc1c(Cl)cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1Cl ZINC001435693165 1064940276 /nfs/dbraw/zinc/94/02/76/1064940276.db2.gz DPIVSQYORTUZHC-UHFFFAOYSA-N 0 0 451.209 4.781 20 5 JJBDRN CCOc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)c([N+](=O)[O-])cc1OC ZINC001360082363 1064941432 /nfs/dbraw/zinc/94/14/32/1064941432.db2.gz XQWYKCRLZRZYQD-UHFFFAOYSA-N 0 0 456.495 4.706 20 5 JJBDRN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001435698957 1064945089 /nfs/dbraw/zinc/94/50/89/1064945089.db2.gz FNMHCGIZTXSJPB-HXUWFJFHSA-N 0 0 459.930 4.789 20 5 JJBDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001435701137 1064946986 /nfs/dbraw/zinc/94/69/86/1064946986.db2.gz PWJHZKRVNRELIU-NSHDSACASA-N 0 0 459.127 4.673 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001360088404 1064953738 /nfs/dbraw/zinc/95/37/38/1064953738.db2.gz LXZLUGPCFKAQTL-HXUWFJFHSA-N 0 0 457.502 4.776 20 5 JJBDRN Cc1nc(Br)ccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001435718817 1064954008 /nfs/dbraw/zinc/95/40/08/1064954008.db2.gz IKHAKBYFNIXPEF-UHFFFAOYSA-N 0 0 450.236 4.810 20 5 JJBDRN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(C)C)CC1 ZINC001360089696 1064956488 /nfs/dbraw/zinc/95/64/88/1064956488.db2.gz XCTOHCXJJGHHBM-UHFFFAOYSA-N 0 0 470.618 4.619 20 5 JJBDRN Cc1c(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001435725044 1064956867 /nfs/dbraw/zinc/95/68/67/1064956867.db2.gz HQPSLORPTWYBRH-UHFFFAOYSA-N 0 0 450.405 4.758 20 5 JJBDRN CCn1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc2ccc(Br)cc21 ZINC001435730974 1064961714 /nfs/dbraw/zinc/96/17/14/1064961714.db2.gz ZTJAWGLWTCTCRF-UHFFFAOYSA-N 0 0 455.215 4.581 20 5 JJBDRN COC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(C(F)(F)F)c1 ZINC001360097209 1064973165 /nfs/dbraw/zinc/97/31/65/1064973165.db2.gz ZWOGTFLBVUKKDG-MRXNPFEDSA-N 0 0 451.426 4.855 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cccc(-c2ncco2)c1)c1cccc([N+](=O)[O-])c1 ZINC001435753135 1064977543 /nfs/dbraw/zinc/97/75/43/1064977543.db2.gz LZKVGULOKSZVAN-HSZRJFAPSA-N 0 0 452.467 4.628 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001360115897 1064999004 /nfs/dbraw/zinc/99/90/04/1064999004.db2.gz NNBNDCWWUFWRJD-UHFFFAOYSA-N 0 0 468.602 4.517 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1 ZINC001360116262 1065000049 /nfs/dbraw/zinc/00/00/49/1065000049.db2.gz ZINFUTJSDPXWMB-UHFFFAOYSA-N 0 0 473.528 4.827 20 5 JJBDRN CC(=O)N[C@@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1F ZINC001360117281 1065002910 /nfs/dbraw/zinc/00/29/10/1065002910.db2.gz HHMUAEGRPFDTKD-QFIPXVFZSA-N 0 0 455.417 4.871 20 5 JJBDRN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001360117330 1065002947 /nfs/dbraw/zinc/00/29/47/1065002947.db2.gz JCJQSXPBDOJMOP-HXUWFJFHSA-N 0 0 459.502 4.807 20 5 JJBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC=C(c2cccc(Br)c2)CC1 ZINC001435832456 1065014811 /nfs/dbraw/zinc/01/48/11/1065014811.db2.gz QRKALAMRTWUZBQ-UHFFFAOYSA-N 0 0 456.340 4.887 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC001435835204 1065016078 /nfs/dbraw/zinc/01/60/78/1065016078.db2.gz CEFPKRXZNIWYSI-UHFFFAOYSA-N 0 0 451.273 4.574 20 5 JJBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001360124130 1065016368 /nfs/dbraw/zinc/01/63/68/1065016368.db2.gz QXLUWTZUAWRACW-AWEZNQCLSA-N 0 0 451.495 4.707 20 5 JJBDRN Cc1c(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001435863060 1065030577 /nfs/dbraw/zinc/03/05/77/1065030577.db2.gz JDMQHVCBMALSTC-AWEZNQCLSA-N 0 0 451.279 4.864 20 5 JJBDRN Cc1nn(CCC(=O)N(C)[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC001435864834 1065032301 /nfs/dbraw/zinc/03/23/01/1065032301.db2.gz RTZAYQZASNRJMR-INIZCTEOSA-N 0 0 452.355 4.579 20 5 JJBDRN 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ZINC001360202030 1065078579 /nfs/dbraw/zinc/07/85/79/1065078579.db2.gz LYXRXECYCGCGLJ-WFASDCNBSA-N 0 0 450.276 4.526 20 5 JJBDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001360202126 1065078752 /nfs/dbraw/zinc/07/87/52/1065078752.db2.gz NVRZBELMLJMVAB-UHFFFAOYSA-N 0 0 454.527 4.810 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360214596 1065083986 /nfs/dbraw/zinc/08/39/86/1065083986.db2.gz NIJNXFXSTXVDOK-MRXNPFEDSA-N 0 0 451.589 4.864 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1F ZINC001360233302 1065093071 /nfs/dbraw/zinc/09/30/71/1065093071.db2.gz ICBNQNALAPKWLW-KRWDZBQOSA-N 0 0 454.285 4.983 20 5 JJBDRN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001436002758 1065103447 /nfs/dbraw/zinc/10/34/47/1065103447.db2.gz SEOUDHLWMDUDGP-LJQANCHMSA-N 0 0 459.275 4.563 20 5 JJBDRN O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001360267527 1065110802 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MRSCHMODEYCBDY-UHFFFAOYSA-N 0 0 451.170 4.998 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cccc(N2CCCC2=O)c1 ZINC001436130388 1065203159 /nfs/dbraw/zinc/20/31/59/1065203159.db2.gz OJFQYKSVIORRFN-UHFFFAOYSA-N 0 0 454.426 4.576 20 5 JJBDRN CCc1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cnn1-c1ccccc1C ZINC001436139134 1065209234 /nfs/dbraw/zinc/20/92/34/1065209234.db2.gz QQXRHQDQJRAWJT-UHFFFAOYSA-N 0 0 458.522 4.765 20 5 JJBDRN COC(=O)c1cc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)c(C)c([N+](=O)[O-])c1 ZINC001436140873 1065210790 /nfs/dbraw/zinc/21/07/90/1065210790.db2.gz KDYGOUQPEQKFDD-UHFFFAOYSA-N 0 0 452.385 4.649 20 5 JJBDRN Cc1c(Br)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1[N+](=O)[O-] ZINC001360359186 1065210850 /nfs/dbraw/zinc/21/08/50/1065210850.db2.gz ZOIQPYYHPPEAEH-UHFFFAOYSA-N 0 0 456.300 4.513 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001436146446 1065213286 /nfs/dbraw/zinc/21/32/86/1065213286.db2.gz ZRFCXOUHVFFJHW-YKSBVNFPSA-N 0 0 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COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC001439358513 1065820203 /nfs/dbraw/zinc/82/02/03/1065820203.db2.gz LKFPCKGFZQJGCS-UHFFFAOYSA-N 0 0 452.511 4.566 20 5 JJBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001360758947 1065826897 /nfs/dbraw/zinc/82/68/97/1065826897.db2.gz JHGYRLJJJOLYHF-OAQYLSRUSA-N 0 0 451.866 4.751 20 5 JJBDRN Cc1cc(F)ccc1[C@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001439460719 1065831711 /nfs/dbraw/zinc/83/17/11/1065831711.db2.gz SJRQQYHIFCTNCH-HNNXBMFYSA-N 0 0 459.451 4.728 20 5 JJBDRN CC1(C)CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c2cc(C(F)(F)F)ccc2O1 ZINC001439537986 1065838950 /nfs/dbraw/zinc/83/89/50/1065838950.db2.gz RRGOIUXXGUBQPR-UHFFFAOYSA-N 0 0 452.385 4.593 20 5 JJBDRN COC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)C ZINC001439611747 1065847732 /nfs/dbraw/zinc/84/77/32/1065847732.db2.gz OQCVVXZILPULHV-JOCHJYFZSA-N 0 0 453.583 4.702 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cccc(-c2ccon2)c1)c1cccc([N+](=O)[O-])c1 ZINC001439610367 1065847775 /nfs/dbraw/zinc/84/77/75/1065847775.db2.gz LPHXUNXNNPLMHA-HSZRJFAPSA-N 0 0 452.467 4.628 20 5 JJBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nc(-c2ccc(Cl)cc2)no1 ZINC001439638625 1065851801 /nfs/dbraw/zinc/85/18/01/1065851801.db2.gz OWZKAUFJXNWSOB-VIFPVBQESA-N 0 0 451.664 4.552 20 5 JJBDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)cc1 ZINC001439800899 1065879927 /nfs/dbraw/zinc/87/99/27/1065879927.db2.gz KLXAAETXMBIUFV-UHFFFAOYSA-N 0 0 451.430 4.542 20 5 JJBDRN O=C(N[C@@H]1CCSC2(CCC2)C1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001439838749 1065884943 /nfs/dbraw/zinc/88/49/43/1065884943.db2.gz FGMVIECEZPLKJN-MRXNPFEDSA-N 0 0 457.518 4.765 20 5 JJBDRN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c1)CC2 ZINC001440069917 1065908829 /nfs/dbraw/zinc/90/88/29/1065908829.db2.gz PPCUCGUKIWEBQE-UHFFFAOYSA-N 0 0 455.517 4.500 20 5 JJBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360800722 1065911743 /nfs/dbraw/zinc/91/17/43/1065911743.db2.gz KETWLHCYBQKGIW-VQIMIIECSA-N 0 0 454.527 4.565 20 5 JJBDRN O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001360809533 1065923349 /nfs/dbraw/zinc/92/33/49/1065923349.db2.gz IXCCZLLQIUGHGA-VWLOTQADSA-N 0 0 456.502 4.528 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)Nc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-])c1ccccn1 ZINC001440288299 1065928368 /nfs/dbraw/zinc/92/83/68/1065928368.db2.gz QZIXNJDAAKAQIU-CYBMUJFWSA-N 0 0 454.870 4.840 20 5 JJBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cc(C2(C)CCCC2)on1)c1cccc([N+](=O)[O-])c1 ZINC001440297467 1065929331 /nfs/dbraw/zinc/92/93/31/1065929331.db2.gz WZXXMGZLQKGKCL-QHCPKHFHSA-N 0 0 458.515 4.793 20 5 JJBDRN COc1ccc2cc([C@H](C)OC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 ZINC001360820059 1065933092 /nfs/dbraw/zinc/93/30/92/1065933092.db2.gz PXJKBHXHRSJVGG-IFXJQAMLSA-N 0 0 454.504 4.727 20 5 JJBDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001440561429 1065949579 /nfs/dbraw/zinc/94/95/79/1065949579.db2.gz VOVRQNAJUCXTON-UHFFFAOYSA-N 0 0 454.313 4.699 20 5 JJBDRN CNc1ccc(C(F)(F)F)cc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001440635125 1065956180 /nfs/dbraw/zinc/95/61/80/1065956180.db2.gz GJAULRAIVYFWBO-UHFFFAOYSA-N 0 0 450.339 4.516 20 5 JJBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](Cc1cccnc1)C1CCCC1 ZINC001440639744 1065956861 /nfs/dbraw/zinc/95/68/61/1065956861.db2.gz OXUCEMJTJCUZHR-SFHVURJKSA-N 0 0 450.461 4.586 20 5 JJBDRN COc1cc(CCNC(=O)c2c(F)cccc2Sc2ccccc2)c([N+](=O)[O-])cc1OC ZINC001440661988 1065960032 /nfs/dbraw/zinc/96/00/32/1065960032.db2.gz KTJLRWREXUHESM-UHFFFAOYSA-N 0 0 456.495 4.875 20 5 JJBDRN Cc1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC001440684636 1065966304 /nfs/dbraw/zinc/96/63/04/1065966304.db2.gz ZYZDQSHQMYXZJV-UHFFFAOYSA-N 0 0 451.473 4.729 20 5 JJBDRN COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)cc([N+](=O)[O-])c1 ZINC001360852714 1065967821 /nfs/dbraw/zinc/96/78/21/1065967821.db2.gz MFFQVUWLPCHRLY-UHFFFAOYSA-N 0 0 454.870 4.659 20 5 JJBDRN C[C@@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC001440709552 1065969071 /nfs/dbraw/zinc/96/90/71/1065969071.db2.gz NFVNPINEQVESDU-CQSZACIVSA-N 0 0 454.324 4.890 20 5 JJBDRN C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC001441023803 1066001729 /nfs/dbraw/zinc/00/17/29/1066001729.db2.gz CEURSTHIZRPSMO-NSHDSACASA-N 0 0 454.936 4.563 20 5 JJBDRN Nc1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC001441054558 1066004275 /nfs/dbraw/zinc/00/42/75/1066004275.db2.gz LLTDWDVXUDQVNR-UHFFFAOYSA-N 0 0 458.234 4.763 20 5 JJBDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001441614170 1066054287 /nfs/dbraw/zinc/05/42/87/1066054287.db2.gz OZJHACQCMMZCKH-SGNDLWITSA-N 0 0 450.535 4.674 20 5 JJBDRN CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001441617735 1066054698 /nfs/dbraw/zinc/05/46/98/1066054698.db2.gz YSRUXUJNWZKJRP-VGOFRKELSA-N 0 0 456.514 4.813 20 5 JJBDRN CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1 ZINC001441671409 1066059819 /nfs/dbraw/zinc/05/98/19/1066059819.db2.gz PPGCIUWMTLHOSD-UHFFFAOYSA-N 0 0 452.898 4.862 20 5 JJBDRN CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001360906671 1066060975 /nfs/dbraw/zinc/06/09/75/1066060975.db2.gz IYAFIMKUXMWNQK-KRWDZBQOSA-N 0 0 457.550 4.577 20 5 JJBDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441735628 1066065154 /nfs/dbraw/zinc/06/51/54/1066065154.db2.gz JCMZTPDLGMTKLQ-NKKJXINNSA-N 0 0 450.535 4.889 20 5 JJBDRN Cc1cccc(C)c1OCCC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441741872 1066066443 /nfs/dbraw/zinc/06/64/43/1066066443.db2.gz WZEHEYYIPHNPMR-OAQYLSRUSA-N 0 0 454.523 4.609 20 5 JJBDRN C[C@@H](SCc1ccccc1)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001441741706 1066066560 /nfs/dbraw/zinc/06/65/60/1066066560.db2.gz WKMXKUXRXLTKHU-NQIIRXRSSA-N 0 0 456.564 4.845 20 5 JJBDRN Nc1c(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc(F)cc1[N+](=O)[O-] ZINC001441766051 1066068663 /nfs/dbraw/zinc/06/86/63/1066068663.db2.gz QFAHETMVEHJSFR-UHFFFAOYSA-N 0 0 456.377 4.514 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC001360915681 1066071411 /nfs/dbraw/zinc/07/14/11/1066071411.db2.gz OBKHPXMXPXKPCD-BRWVUGGUSA-N 0 0 455.559 4.999 20 5 JJBDRN C[C@@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC001360915682 1066071519 /nfs/dbraw/zinc/07/15/19/1066071519.db2.gz OBKHPXMXPXKPCD-IXDOHACOSA-N 0 0 455.559 4.999 20 5 JJBDRN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCC[C@H]1c1cccc(Br)c1 ZINC001441820306 1066073484 /nfs/dbraw/zinc/07/34/84/1066073484.db2.gz OPUHTFQHGDMFMK-FQEVSTJZSA-N 0 0 455.312 4.579 20 5 JJBDRN Cc1ccsc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001360920172 1066076300 /nfs/dbraw/zinc/07/63/00/1066076300.db2.gz QBUXKAHINUZLNA-GOSISDBHSA-N 0 0 498.609 4.569 20 5 JJBDRN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360931344 1066088608 /nfs/dbraw/zinc/08/86/08/1066088608.db2.gz PIIYLZDQQGYGBT-XMMPIXPASA-N 0 0 456.543 4.716 20 5 JJBDRN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001360931343 1066088647 /nfs/dbraw/zinc/08/86/47/1066088647.db2.gz PIIYLZDQQGYGBT-DEOSSOPVSA-N 0 0 456.543 4.716 20 5 JJBDRN Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)c1c(C)noc1C ZINC001360933227 1066091183 /nfs/dbraw/zinc/09/11/83/1066091183.db2.gz ZUPKOPLBXDNPGB-CYBMUJFWSA-N 0 0 467.555 4.663 20 5 JJBDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC001442244139 1066107358 /nfs/dbraw/zinc/10/73/58/1066107358.db2.gz HBBMEKXBLYRCSD-IBGZPJMESA-N 0 0 458.515 4.706 20 5 JJBDRN Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)CC(C)(C)C2)cnn1CC(C)C ZINC001360960030 1066118247 /nfs/dbraw/zinc/11/82/47/1066118247.db2.gz WQPSPXXVIHYHPR-GOSISDBHSA-N 0 0 465.602 4.935 20 5 JJBDRN CCOC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)Cc1ccccc1 ZINC001442368564 1066120872 /nfs/dbraw/zinc/12/08/72/1066120872.db2.gz QNNDSCGZHFNOQN-SFHVURJKSA-N 0 0 456.564 4.781 20 5 JJBDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC001360964432 1066123427 /nfs/dbraw/zinc/12/34/27/1066123427.db2.gz QMGMTRUCKGQKIK-KBPBESRZSA-N 0 0 450.276 4.526 20 5 JJBDRN Cc1c(Cn2c([C@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnn1CC(C)C ZINC001360971813 1066128109 /nfs/dbraw/zinc/12/81/09/1066128109.db2.gz XSICLGJAXMTALT-QFIPXVFZSA-N 0 0 495.628 4.705 20 5 JJBDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1(C)C ZINC001360980305 1066138667 /nfs/dbraw/zinc/13/86/67/1066138667.db2.gz UQUPADCNXMJDFG-RTWAWAEBSA-N 0 0 456.564 4.823 20 5 JJBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC(C(F)(F)F)CC1 ZINC001360981093 1066139506 /nfs/dbraw/zinc/13/95/06/1066139506.db2.gz HGBGTLYHIKSNRZ-UHFFFAOYSA-N 0 0 453.383 4.631 20 5 JJBDRN Cc1cc([C@@](C)(O)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C2CCC(C)CC2)c(C)o1 ZINC001360997979 1066177053 /nfs/dbraw/zinc/17/70/53/1066177053.db2.gz RUYHBAOZGKQZBX-CNPZASKASA-N 0 0 467.570 4.986 20 5 JJBDRN Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001361001450 1066179063 /nfs/dbraw/zinc/17/90/63/1066179063.db2.gz RGTDVGOTOXGXFX-UHFFFAOYSA-N 0 0 450.474 4.865 20 5 JJBDRN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCC1CCOCC1 ZINC001361019877 1066209942 /nfs/dbraw/zinc/20/99/42/1066209942.db2.gz KDTMSAQRJMXJHR-UHFFFAOYSA-N 0 0 453.539 4.564 20 5 JJBDRN CC(C)(CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1F ZINC001361021408 1066214515 /nfs/dbraw/zinc/21/45/15/1066214515.db2.gz JCPJJZFEUZZCQB-UHFFFAOYSA-N 0 0 451.285 4.934 20 5 JJBDRN CC[C@@]1(C)CC[C@@H](Cn2c(CC3CCCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC001546056059 1066222084 /nfs/dbraw/zinc/22/20/84/1066222084.db2.gz ACMWHULCMCLOEX-DHLKQENFSA-N 0 0 455.603 4.946 20 5 JJBDRN Cc1cc([C@H]2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C2)c(O)cc1Cl ZINC001453943171 1066223990 /nfs/dbraw/zinc/22/39/90/1066223990.db2.gz ITNBPZDSLOSGOJ-LBPRGKRZSA-N 0 0 458.820 4.833 20 5 JJBDRN C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001442808364 1066225406 /nfs/dbraw/zinc/22/54/06/1066225406.db2.gz HQQXQOLOFMRNLU-HIFRSBDPSA-N 0 0 458.877 4.947 20 5 JJBDRN C[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001442808380 1066225528 /nfs/dbraw/zinc/22/55/28/1066225528.db2.gz HQQXQOLOFMRNLU-UKRRQHHQSA-N 0 0 458.877 4.947 20 5 JJBDRN CCCS(=O)(=O)Nc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(F)cc1F ZINC001442836877 1066229769 /nfs/dbraw/zinc/22/97/69/1066229769.db2.gz IMYRUOULQLRIGZ-UHFFFAOYSA-N 0 0 455.483 4.575 20 5 JJBDRN C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC001454220134 1066255370 /nfs/dbraw/zinc/25/53/70/1066255370.db2.gz NFOVCXRYXIZTQW-SNVBAGLBSA-N 0 0 455.824 4.823 20 5 JJBDRN CNc1c(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC001443103110 1066268981 /nfs/dbraw/zinc/26/89/81/1066268981.db2.gz WMNRCSKWMGJDFS-UHFFFAOYSA-N 0 0 455.898 4.678 20 5 JJBDRN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)no1 ZINC001454438122 1066282122 /nfs/dbraw/zinc/28/21/22/1066282122.db2.gz FUDZDDBYCDLYPM-UHFFFAOYSA-N 0 0 454.639 4.735 20 5 JJBDRN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC001443242072 1066283465 /nfs/dbraw/zinc/28/34/65/1066283465.db2.gz MRQYBDKBNUINCC-UHFFFAOYSA-N 0 0 453.886 4.621 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N2CCC(Cc3nccs3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC001454556745 1066300806 /nfs/dbraw/zinc/30/08/06/1066300806.db2.gz RMIBLLVIGZYDLW-INIZCTEOSA-N 0 0 451.552 4.714 20 5 JJBDRN COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001361065038 1066304841 /nfs/dbraw/zinc/30/48/41/1066304841.db2.gz BYNUNLIRWOLGFY-NRFANRHFSA-N 0 0 455.854 4.993 20 5 JJBDRN CC(C)CCSc1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001454591808 1066306243 /nfs/dbraw/zinc/30/62/43/1066306243.db2.gz YOMYPMIJAPCEEU-NVXWUHKLSA-N 0 0 451.589 4.861 20 5 JJBDRN Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cs1 ZINC001361071500 1066312046 /nfs/dbraw/zinc/31/20/46/1066312046.db2.gz KWYQMVOOGRAQLD-UHFFFAOYSA-N 0 0 479.484 4.619 20 5 JJBDRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001454653424 1066315459 /nfs/dbraw/zinc/31/54/59/1066315459.db2.gz AYBUXRBXSATYAN-TZMCWYRMSA-N 0 0 456.296 4.629 20 5 JJBDRN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC001361078586 1066318347 /nfs/dbraw/zinc/31/83/47/1066318347.db2.gz GBWCCFPWFWEQJL-KRWDZBQOSA-N 0 0 450.491 4.877 20 5 JJBDRN CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc21 ZINC001454710282 1066324163 /nfs/dbraw/zinc/32/41/63/1066324163.db2.gz HPQJDCJXYHIUKP-INIZCTEOSA-N 0 0 450.495 4.735 20 5 JJBDRN Cc1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC001443585846 1066332954 /nfs/dbraw/zinc/33/29/54/1066332954.db2.gz PDBZPUYKJOTKOC-LJQANCHMSA-N 0 0 456.543 4.605 20 5 JJBDRN COc1cccc(OC(F)(F)F)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001454980186 1066349586 /nfs/dbraw/zinc/34/95/86/1066349586.db2.gz VUVMKINANPLCIG-UHFFFAOYSA-N 0 0 453.142 4.656 20 5 JJBDRN Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)cc1C(=O)c1ccccc1 ZINC001455008295 1066352281 /nfs/dbraw/zinc/35/22/81/1066352281.db2.gz SQSNAXMVSPUQNC-UHFFFAOYSA-N 0 0 454.280 4.731 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc(C)c(C(=O)c2ccccc2)c1 ZINC001455007194 1066352387 /nfs/dbraw/zinc/35/23/87/1066352387.db2.gz QPWYCEXVJZTCAP-UHFFFAOYSA-N 0 0 451.866 4.998 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001443864770 1066378129 /nfs/dbraw/zinc/37/81/29/1066378129.db2.gz JHWOVSFKNRMGJB-QGZVFWFLSA-N 0 0 459.955 4.626 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001443869807 1066378596 /nfs/dbraw/zinc/37/85/96/1066378596.db2.gz ISBQDQWOZYKJAS-PWRODBHTSA-N 0 0 453.495 4.829 20 5 JJBDRN C[C@@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC001455441710 1066390110 /nfs/dbraw/zinc/39/01/10/1066390110.db2.gz SPLCJFVTKDNSKH-CYBMUJFWSA-N 0 0 450.442 4.769 20 5 JJBDRN CC(C)(O)[C@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC001455448162 1066391244 /nfs/dbraw/zinc/39/12/44/1066391244.db2.gz QCOANJFVCRMOQU-FDWYHIAWSA-N 0 0 451.548 4.755 20 5 JJBDRN CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Sc4ccc(Cl)cc4)c3)C[C@@H]21 ZINC001455809058 1066435101 /nfs/dbraw/zinc/43/51/01/1066435101.db2.gz SWOINTXHWJMTAF-FUHIMQAGSA-N 0 0 460.939 4.671 20 5 JJBDRN Cn1ccc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3Cl)C2)n1 ZINC001455913685 1066450371 /nfs/dbraw/zinc/45/03/71/1066450371.db2.gz QEHZTCOGKCOBDQ-KRWDZBQOSA-N 0 0 453.930 4.614 20 5 JJBDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001444367182 1066456028 /nfs/dbraw/zinc/45/60/28/1066456028.db2.gz SKYIYUYGOHHQRS-UHFFFAOYSA-N 0 0 458.902 4.814 20 5 JJBDRN O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1ccc2oc(=O)[nH]c2c1 ZINC001444386295 1066456628 /nfs/dbraw/zinc/45/66/28/1066456628.db2.gz NBTNBWCPXMCADP-UHFFFAOYSA-N 0 0 457.801 4.956 20 5 JJBDRN Cn1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1-c1ccccc1 ZINC001455940350 1066456813 /nfs/dbraw/zinc/45/68/13/1066456813.db2.gz OJRWABGIZFSZNW-UHFFFAOYSA-N 0 0 458.440 4.582 20 5 JJBDRN O=C(CSc1ccc(Br)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001361161195 1066467202 /nfs/dbraw/zinc/46/72/02/1066467202.db2.gz IDJFLWIKTOGGII-UHFFFAOYSA-N 0 0 451.342 4.519 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](COCc4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC001361161588 1066467861 /nfs/dbraw/zinc/46/78/61/1066467861.db2.gz RDXLEJGPECCIDP-KCZVDYSFSA-N 0 0 451.567 4.756 20 5 JJBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccnn3Cc3ccccc3F)cc2[N+](=O)[O-])C1 ZINC001456011287 1066471646 /nfs/dbraw/zinc/47/16/46/1066471646.db2.gz SCJZZBYHRPQOOU-IAGOWNOFSA-N 0 0 451.502 4.713 20 5 JJBDRN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NC[C@@H]1CCC[C@@H](O)C1 ZINC001444558701 1066475599 /nfs/dbraw/zinc/47/55/99/1066475599.db2.gz SWNWFLOMGNSVSS-BMLWKQLDSA-N 0 0 451.548 4.803 20 5 JJBDRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001456038419 1066487242 /nfs/dbraw/zinc/48/72/42/1066487242.db2.gz OZGKTDRJOWNDPJ-GFCCVEGCSA-N 0 0 459.127 4.673 20 5 JJBDRN Nc1c(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC001444666858 1066490315 /nfs/dbraw/zinc/49/03/15/1066490315.db2.gz JUIHMBUSFYUGEZ-UHFFFAOYSA-N 0 0 450.308 4.711 20 5 JJBDRN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001456067133 1066500518 /nfs/dbraw/zinc/50/05/18/1066500518.db2.gz MGANRQMMTRTBPY-UHFFFAOYSA-N 0 0 459.911 4.679 20 5 JJBDRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC001456185262 1066532456 /nfs/dbraw/zinc/53/24/56/1066532456.db2.gz NNDPXINKNINPFB-UHFFFAOYSA-N 0 0 456.502 4.838 20 5 JJBDRN CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001456196298 1066534724 /nfs/dbraw/zinc/53/47/24/1066534724.db2.gz QFBXLSCYUZOVLE-MHECFPHRSA-N 0 0 451.567 4.529 20 5 JJBDRN Cc1ccc(-c2nnc(N3CCC(n4cc([N+](=O)[O-])cn4)CC3)n2CC(C)C)cc1Br ZINC001361207096 1066539238 /nfs/dbraw/zinc/53/92/38/1066539238.db2.gz IQNAZXDWVKOSJZ-UHFFFAOYSA-N 0 0 488.390 4.618 20 5 JJBDRN Cc1ccc(Cc2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)s2)cc1 ZINC001456217154 1066539537 /nfs/dbraw/zinc/53/95/37/1066539537.db2.gz GCFDUANOQVXFKY-UHFFFAOYSA-N 0 0 451.552 4.834 20 5 JJBDRN Cc1ccc(-c2nnc(N3CCc4ccc([N+](=O)[O-])cc4C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)o1 ZINC001361210107 1066543185 /nfs/dbraw/zinc/54/31/85/1066543185.db2.gz ATKVCNGHGUAXSQ-INIZCTEOSA-N 0 0 496.568 4.573 20 5 JJBDRN COc1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1OC1CCCC1 ZINC001456248867 1066545640 /nfs/dbraw/zinc/54/56/40/1066545640.db2.gz XKAJVYBDWBFWSR-UHFFFAOYSA-N 0 0 455.330 4.679 20 5 JJBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001456262795 1066548854 /nfs/dbraw/zinc/54/88/54/1066548854.db2.gz FEJCJPUSXIMGAB-CQSZACIVSA-N 0 0 453.401 4.657 20 5 JJBDRN O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001456264211 1066549309 /nfs/dbraw/zinc/54/93/09/1066549309.db2.gz KYOQWHFVYHQRHN-PKTZIBPZSA-N 0 0 451.910 4.639 20 5 JJBDRN O=C(C[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001445277443 1066551817 /nfs/dbraw/zinc/55/18/17/1066551817.db2.gz SOAHHGQWVBXISS-SFHVURJKSA-N 0 0 459.340 4.944 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC001456280053 1066554461 /nfs/dbraw/zinc/55/44/61/1066554461.db2.gz QECLRLFKTZUKLH-KRWDZBQOSA-N 0 0 459.465 4.817 20 5 JJBDRN COC(=O)c1cc(C(=O)NC[C@@H](Cc2ccc(Cl)cc2Cl)C(C)C)cc([N+](=O)[O-])c1 ZINC001456296588 1066557384 /nfs/dbraw/zinc/55/73/84/1066557384.db2.gz CQPKXEZOPRHHQV-MRXNPFEDSA-N 0 0 453.322 4.933 20 5 JJBDRN Cc1cc(OCC(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001361221769 1066560629 /nfs/dbraw/zinc/56/06/29/1066560629.db2.gz JAIGDMBKAPFYID-IBGZPJMESA-N 0 0 459.502 4.641 20 5 JJBDRN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc2ccccc2c2cccnc12 ZINC001445427723 1066570498 /nfs/dbraw/zinc/57/04/98/1066570498.db2.gz SPXWPXVDEAVOHL-GOSISDBHSA-N 0 0 454.448 4.919 20 5 JJBDRN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCc2c(F)cccc21 ZINC001361236973 1066577620 /nfs/dbraw/zinc/57/76/20/1066577620.db2.gz IYTAVSRACDJWFQ-UHFFFAOYSA-N 0 0 451.420 4.949 20 5 JJBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CCOCC1 ZINC001456395851 1066578297 /nfs/dbraw/zinc/57/82/97/1066578297.db2.gz QEVDKFFABDFDJE-OAQYLSRUSA-N 0 0 451.445 4.700 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC001456397089 1066578321 /nfs/dbraw/zinc/57/83/21/1066578321.db2.gz UBVONVOROOIQAZ-HHHXNRCGSA-N 0 0 453.358 4.965 20 5 JJBDRN Cc1nc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC001445535461 1066584387 /nfs/dbraw/zinc/58/43/87/1066584387.db2.gz CHCBQUMNISWRJO-UHFFFAOYSA-N 0 0 454.914 4.744 20 5 JJBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC001456440168 1066587059 /nfs/dbraw/zinc/58/70/59/1066587059.db2.gz KIRNHKVJBMSSCY-IWAYBZMOSA-N 0 0 458.923 4.962 20 5 JJBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001456457891 1066591916 /nfs/dbraw/zinc/59/19/16/1066591916.db2.gz STPJYVGUNWDMPP-UHFFFAOYSA-N 0 0 454.280 4.540 20 5 JJBDRN Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccnc(OC(F)F)c2)s1 ZINC001361250124 1066596264 /nfs/dbraw/zinc/59/62/64/1066596264.db2.gz RORFCPZXKMZQBK-UHFFFAOYSA-N 0 0 486.504 4.904 20 5 JJBDRN CN(CC(=O)Nc1ccc(Oc2ccccn2)cc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001456516626 1066609750 /nfs/dbraw/zinc/60/97/50/1066609750.db2.gz GFRCAYBTPBZWLW-UHFFFAOYSA-N 0 0 457.284 4.620 20 5 JJBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001456518799 1066610504 /nfs/dbraw/zinc/61/05/04/1066610504.db2.gz RAXLBEXELIGBTI-UHFFFAOYSA-N 0 0 453.539 4.602 20 5 JJBDRN C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC001445717769 1066610462 /nfs/dbraw/zinc/61/04/62/1066610462.db2.gz FCEXKXIOEGHTNY-LBPRGKRZSA-N 0 0 451.292 4.705 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC001446036441 1066649154 /nfs/dbraw/zinc/64/91/54/1066649154.db2.gz SPEOIQMCUXSHTR-HSZRJFAPSA-N 0 0 451.454 4.611 20 5 JJBDRN O=C(Nc1ccccc1-c1cn[nH]c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001546084462 1066671487 /nfs/dbraw/zinc/67/14/87/1066671487.db2.gz IRTPJAARPUXCOT-UHFFFAOYSA-N 0 0 459.428 4.859 20 5 JJBDRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)cc1 ZINC001456738793 1066678785 /nfs/dbraw/zinc/67/87/85/1066678785.db2.gz CZZYSVRYXGOPLT-UHFFFAOYSA-N 0 0 457.490 4.528 20 5 JJBDRN CC[C@@H](Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)OC(C)(C)C ZINC001545984964 1066696424 /nfs/dbraw/zinc/69/64/24/1066696424.db2.gz SRRAUVBZNFZNQO-IBGZPJMESA-N 0 0 484.601 4.926 20 5 JJBDRN COc1cc(OCC(=O)O[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001456868396 1066710257 /nfs/dbraw/zinc/71/02/57/1066710257.db2.gz WRODWEGMFDPVNU-INIZCTEOSA-N 0 0 453.291 4.848 20 5 JJBDRN COc1ccnc(CNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 ZINC001446583622 1066723444 /nfs/dbraw/zinc/72/34/44/1066723444.db2.gz OROCWYJEHFIAOB-UHFFFAOYSA-N 0 0 452.517 4.689 20 5 JJBDRN Cc1csc([C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCCC(F)(F)F)CCO2)n1 ZINC001492641129 1066733842 /nfs/dbraw/zinc/73/38/42/1066733842.db2.gz JTKZAJQCLGYSLJ-INIZCTEOSA-N 0 0 482.488 4.539 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(F)(F)CC2)n1 ZINC001492643775 1066740146 /nfs/dbraw/zinc/74/01/46/1066740146.db2.gz CPMKAMUJCRZHLO-UHFFFAOYSA-N 0 0 462.526 4.877 20 5 JJBDRN Cc1csc(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS[C@H](C)C2)n1 ZINC001492644447 1066742800 /nfs/dbraw/zinc/74/28/00/1066742800.db2.gz OKSMUNBSLAVMOK-MRXNPFEDSA-N 0 0 458.613 4.583 20 5 JJBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001446877089 1066751370 /nfs/dbraw/zinc/75/13/70/1066751370.db2.gz BSYMLDZVCUZBHG-UHFFFAOYSA-N 0 0 454.792 4.509 20 5 JJBDRN Cc1ccc(Sc2ccc(C(=O)N3CCN([C@@H](C)C(F)(F)F)CC3)cc2[N+](=O)[O-])cc1 ZINC001457075944 1066756156 /nfs/dbraw/zinc/75/61/56/1066756156.db2.gz NYXHQACJXSDFDC-HNNXBMFYSA-N 0 0 453.486 4.763 20 5 JJBDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C3)cs1 ZINC001446959602 1066758674 /nfs/dbraw/zinc/75/86/74/1066758674.db2.gz PXPBSUAGUXGVQT-UHFFFAOYSA-N 0 0 452.920 4.661 20 5 JJBDRN CC(C)(C)OC(=O)CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc2c(c1)OCO2 ZINC001457176388 1066780773 /nfs/dbraw/zinc/78/07/73/1066780773.db2.gz CWDPEZZENYMSCY-UHFFFAOYSA-N 0 0 456.476 4.527 20 5 JJBDRN C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4cc(Cl)c(F)c([N+](=O)[O-])c4N)cc3)ccc2O1 ZINC001447307810 1066790055 /nfs/dbraw/zinc/79/00/55/1066790055.db2.gz NOSSVHNGOSEQFJ-LBPRGKRZSA-N 0 0 455.873 4.890 20 5 JJBDRN Cc1cc(C)c2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001457267508 1066799741 /nfs/dbraw/zinc/79/97/41/1066799741.db2.gz FGGPNOCWARFWSK-UHFFFAOYSA-N 0 0 450.276 4.718 20 5 JJBDRN CCOC(=O)c1sc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nc1C ZINC001457294219 1066805898 /nfs/dbraw/zinc/80/58/98/1066805898.db2.gz RTWVQKUUOAQQCW-UHFFFAOYSA-N 0 0 457.533 4.618 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])CC2 ZINC001457304854 1066807649 /nfs/dbraw/zinc/80/76/49/1066807649.db2.gz CLAKLFCPYLHHGS-OAHLLOKOSA-N 0 0 451.951 4.795 20 5 JJBDRN Cc1ccccc1C(NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1C ZINC001447428775 1066808791 /nfs/dbraw/zinc/80/87/91/1066808791.db2.gz TYSXCHZTMMXEEU-UHFFFAOYSA-N 0 0 451.910 4.501 20 5 JJBDRN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001447488946 1066814595 /nfs/dbraw/zinc/81/45/95/1066814595.db2.gz VDSHKOQYZXAKCV-UHFFFAOYSA-N 0 0 451.552 4.635 20 5 JJBDRN Cc1cc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n(-c2cc(C)nc(C)n2)n1 ZINC001457405860 1066823680 /nfs/dbraw/zinc/82/36/80/1066823680.db2.gz HERGLZYQECSLQM-UHFFFAOYSA-N 0 0 454.556 4.886 20 5 JJBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC001457457338 1066834091 /nfs/dbraw/zinc/83/40/91/1066834091.db2.gz LEIZRPOCHZMQQX-GOSISDBHSA-N 0 0 450.804 4.919 20 5 JJBDRN Cn1cc(C[C@H]2CCN(C(=O)c3cccc(Sc4ccc(Cl)cc4)c3[N+](=O)[O-])C2)cn1 ZINC001457469594 1066837346 /nfs/dbraw/zinc/83/73/46/1066837346.db2.gz ATDBMAXEEPBWQU-OAHLLOKOSA-N 0 0 456.955 4.838 20 5 JJBDRN CC(C)[C@](C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC001447722050 1066847664 /nfs/dbraw/zinc/84/76/64/1066847664.db2.gz GYZYKPXEOPKZMB-NRFANRHFSA-N 0 0 458.312 4.912 20 5 JJBDRN CCOCCC1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCCC1 ZINC001457535352 1066854327 /nfs/dbraw/zinc/85/43/27/1066854327.db2.gz HPBSIHGVBVISQA-UHFFFAOYSA-N 0 0 455.342 4.804 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2[N+](=O)[O-])n1 ZINC001457573349 1066867898 /nfs/dbraw/zinc/86/78/98/1066867898.db2.gz JZBOSHOJLAZQRY-UHFFFAOYSA-N 0 0 456.505 4.618 20 5 JJBDRN CC(C)OC[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCO1 ZINC001447964238 1066883892 /nfs/dbraw/zinc/88/38/92/1066883892.db2.gz CIOAAMQJJGQCLA-INIZCTEOSA-N 0 0 450.944 4.665 20 5 JJBDRN C[C@H](C1CC1)n1cc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC001448161160 1066905224 /nfs/dbraw/zinc/90/52/24/1066905224.db2.gz KPCFLFGEVKFZRX-CYBMUJFWSA-N 0 0 453.886 4.920 20 5 JJBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccccc1OCc1ccccc1 ZINC001457730367 1066905838 /nfs/dbraw/zinc/90/58/38/1066905838.db2.gz GFMMLISDWCRPJT-CQSZACIVSA-N 0 0 456.296 4.822 20 5 JJBDRN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC2(CC(C)C)CC2)n1 ZINC001492736275 1066911060 /nfs/dbraw/zinc/91/10/60/1066911060.db2.gz AXAGRGIPXHFBGG-UHFFFAOYSA-N 0 0 451.575 4.511 20 5 JJBDRN Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)C2)cc1C ZINC001448257522 1066915321 /nfs/dbraw/zinc/91/53/21/1066915321.db2.gz POALKDBEICDMRX-QFIPXVFZSA-N 0 0 458.518 4.747 20 5 JJBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c(F)cc(Br)cc2C1 ZINC001457788777 1066920196 /nfs/dbraw/zinc/92/01/96/1066920196.db2.gz ILDTZZMCKXELGL-UHFFFAOYSA-N 0 0 459.724 4.827 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001457824557 1066928359 /nfs/dbraw/zinc/92/83/59/1066928359.db2.gz MMGITPWPCJALDZ-UHFFFAOYSA-N 0 0 456.699 4.593 20 5 JJBDRN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC001457849788 1066932032 /nfs/dbraw/zinc/93/20/32/1066932032.db2.gz JGRKSFGTRDDLPJ-AULYBMBSSA-N 0 0 454.118 4.796 20 5 JJBDRN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001457884770 1066935998 /nfs/dbraw/zinc/93/59/98/1066935998.db2.gz HJYSMHYBTVCWLD-UHFFFAOYSA-N 0 0 457.220 4.619 20 5 JJBDRN Cc1cc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1Br ZINC001448540797 1066937486 /nfs/dbraw/zinc/93/74/86/1066937486.db2.gz LSSLZLLTCLPTKY-GOSISDBHSA-N 0 0 455.312 4.829 20 5 JJBDRN C[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001457892947 1066937585 /nfs/dbraw/zinc/93/75/85/1066937585.db2.gz GWBZKNQZIMPRHV-FOIQADDNSA-N 0 0 450.495 4.984 20 5 JJBDRN O=C(COc1ccc(C2SCCCS2)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001457898081 1066938387 /nfs/dbraw/zinc/93/83/87/1066938387.db2.gz SIVYXOQEBLIKTR-UHFFFAOYSA-N 0 0 456.549 4.871 20 5 JJBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Cl)cc1Nc1ccccc1 ZINC001448672053 1066948107 /nfs/dbraw/zinc/94/81/07/1066948107.db2.gz IXTJCWVTMCLFFI-UHFFFAOYSA-N 0 0 455.854 4.830 20 5 JJBDRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001448721778 1066953455 /nfs/dbraw/zinc/95/34/55/1066953455.db2.gz IYNXZAGLYXMBSF-QGZVFWFLSA-N 0 0 450.543 4.535 20 5 JJBDRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001457993985 1066954049 /nfs/dbraw/zinc/95/40/49/1066954049.db2.gz JUMPMEGGCRATQN-BFUOFWGJSA-N 0 0 452.338 4.924 20 5 JJBDRN C/C(=C/C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC001448728189 1066954234 /nfs/dbraw/zinc/95/42/34/1066954234.db2.gz VOQMABDDQGQDLP-KAMYIIQDSA-N 0 0 459.428 4.579 20 5 JJBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001448770792 1066956272 /nfs/dbraw/zinc/95/62/72/1066956272.db2.gz GZIYGWLFTSWBJU-CQSZACIVSA-N 0 0 458.729 4.719 20 5 JJBDRN O=C(Nc1cccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1)c1ccccc1 ZINC001458010318 1066956208 /nfs/dbraw/zinc/95/62/08/1066956208.db2.gz IXMUOCJIMRMBAA-UHFFFAOYSA-N 0 0 452.470 4.839 20 5 JJBDRN CCC(=O)N1CCc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc21 ZINC001458029066 1066958406 /nfs/dbraw/zinc/95/84/06/1066958406.db2.gz UGSYGAOLUYVNBW-UHFFFAOYSA-N 0 0 452.692 4.562 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001448805878 1066959112 /nfs/dbraw/zinc/95/91/12/1066959112.db2.gz ISJUPKIVPRBZDQ-UHFFFAOYSA-N 0 0 459.465 4.657 20 5 JJBDRN CN(c1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC001458054768 1066962508 /nfs/dbraw/zinc/96/25/08/1066962508.db2.gz RRICHJWGEGNFIN-UHFFFAOYSA-N 0 0 453.451 4.900 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)Nc3cccnc3OCC(F)F)cc2[N+](=O)[O-])n1 ZINC001458086472 1066970923 /nfs/dbraw/zinc/97/09/23/1066970923.db2.gz XPBMVHDIRSEGLP-UHFFFAOYSA-N 0 0 452.464 4.802 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])c1 ZINC001458104306 1066977057 /nfs/dbraw/zinc/97/70/57/1066977057.db2.gz FACLERQGYUOUMB-UHFFFAOYSA-N 0 0 455.536 4.880 20 5 JJBDRN Cc1cc([C@H](CC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)NC(=O)OC(C)(C)C)cc(Cl)n1 ZINC001458122908 1066982001 /nfs/dbraw/zinc/98/20/01/1066982001.db2.gz ZQOGCRNNTDTOCI-INIZCTEOSA-N 0 0 453.854 4.652 20 5 JJBDRN CC(C)(CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1ccccc1Br ZINC001458126292 1066983601 /nfs/dbraw/zinc/98/36/01/1066983601.db2.gz ZBAPDJNORRPHER-UHFFFAOYSA-N 0 0 456.134 4.827 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC001458138424 1066986073 /nfs/dbraw/zinc/98/60/73/1066986073.db2.gz QYWULJCBLJSVRI-QGZVFWFLSA-N 0 0 455.536 4.992 20 5 JJBDRN CCN(CC)S(=O)(=O)c1ccc(N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC001458140287 1066986340 /nfs/dbraw/zinc/98/63/40/1066986340.db2.gz WWPFOXMXEVDLFU-AWEZNQCLSA-N 0 0 459.490 4.842 20 5 JJBDRN C[C@@H](CNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001458140083 1066986403 /nfs/dbraw/zinc/98/64/03/1066986403.db2.gz BLMJFSJSEXINBH-HNNXBMFYSA-N 0 0 454.483 4.536 20 5 JJBDRN CCOc1c(OC)cc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1OC ZINC001458145956 1066987622 /nfs/dbraw/zinc/98/76/22/1066987622.db2.gz SJGBBQQXNUPQBT-UHFFFAOYSA-N 0 0 451.348 4.672 20 5 JJBDRN O=[N+]([O-])c1ccc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)nc1-c1ccc(F)cc1 ZINC001458146821 1066987918 /nfs/dbraw/zinc/98/79/18/1066987918.db2.gz YVPJKGNMAOZKLT-OAQYLSRUSA-N 0 0 456.905 4.935 20 5 JJBDRN O=C(OCc1cn(-c2ccccc2Cl)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001458152116 1066989167 /nfs/dbraw/zinc/98/91/67/1066989167.db2.gz YETQEYNETQTCTK-UHFFFAOYSA-N 0 0 450.838 4.978 20 5 JJBDRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155807 1066991154 /nfs/dbraw/zinc/99/11/54/1066991154.db2.gz RXNOSHHRGUAXGN-UZUQRXQVSA-N 0 0 458.990 4.643 20 5 JJBDRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001458155804 1066991217 /nfs/dbraw/zinc/99/12/17/1066991217.db2.gz RXNOSHHRGUAXGN-HXOBKFHXSA-N 0 0 458.990 4.643 20 5 JJBDRN COC(=O)Cc1ccc(NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 ZINC001458167267 1066994340 /nfs/dbraw/zinc/99/43/40/1066994340.db2.gz QQVVWXRHDPXYCF-UHFFFAOYSA-N 0 0 456.502 4.834 20 5 JJBDRN C[C@@H](c1ccc(Br)cc1)N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001458177921 1066997910 /nfs/dbraw/zinc/99/79/10/1066997910.db2.gz IERNCYPYLFKHMJ-LBPRGKRZSA-N 0 0 459.266 4.654 20 5 JJBDRN O=[N+]([O-])c1ccc(Nc2cccc(C[S@@](=O)C3CCOCC3)c2)nc1-c1ccc(F)cc1 ZINC001458177793 1066997937 /nfs/dbraw/zinc/99/79/37/1066997937.db2.gz AYQLQHQGQOBOAN-JGCGQSQUSA-N 0 0 455.511 4.967 20 5 JJBDRN CCc1cc(N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458179788 1066998293 /nfs/dbraw/zinc/99/82/93/1066998293.db2.gz MVWPPYUJSDVYDF-FQEVSTJZSA-N 0 0 451.914 4.509 20 5 JJBDRN O=C1[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCCN1c1ccc(OC(F)F)cc1 ZINC001458183329 1066999071 /nfs/dbraw/zinc/99/90/71/1066999071.db2.gz DDSJSAVAUFKBKQ-HNNXBMFYSA-N 0 0 456.243 4.566 20 5 JJBDRN Cc1c(Br)c(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ncc1[N+](=O)[O-] ZINC001458188566 1067000422 /nfs/dbraw/zinc/00/04/22/1067000422.db2.gz KOURIWIUIMFZRU-UHFFFAOYSA-N 0 0 458.234 4.577 20 5 JJBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C[C@@H](C)[S@@]1=O ZINC001449336251 1067001309 /nfs/dbraw/zinc/00/13/09/1067001309.db2.gz YCVNYUIETULPHE-YKWSCYNLSA-N 0 0 452.985 4.771 20 5 JJBDRN CCS(=O)(=O)c1ccccc1Oc1ccc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC001458205145 1067002789 /nfs/dbraw/zinc/00/27/89/1067002789.db2.gz PJBZWBLKPRPFFO-UHFFFAOYSA-N 0 0 458.492 4.942 20 5 JJBDRN Cc1ccc(S(=O)(=O)NC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)c2ccccc2)c(C)c1 ZINC001458219015 1067005886 /nfs/dbraw/zinc/00/58/86/1067005886.db2.gz GXEULVOKKQZGFV-NRFANRHFSA-N 0 0 457.527 4.791 20 5 JJBDRN Cc1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)n1Cc1ccco1 ZINC001449388835 1067006034 /nfs/dbraw/zinc/00/60/34/1067006034.db2.gz IHBDILYWNQGYKT-UHFFFAOYSA-N 0 0 458.312 4.615 20 5 JJBDRN CCc1ccc([C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001458225574 1067007071 /nfs/dbraw/zinc/00/70/71/1067007071.db2.gz JVWBQBQEWWSSNC-JOCHJYFZSA-N 0 0 450.520 4.639 20 5 JJBDRN CC[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC001458226740 1067007435 /nfs/dbraw/zinc/00/74/35/1067007435.db2.gz ANTRYQNXXAYWGP-UGKGYDQZSA-N 0 0 457.596 4.790 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC001458238336 1067009820 /nfs/dbraw/zinc/00/98/20/1067009820.db2.gz IQDKANAUFFEZPN-UHFFFAOYSA-N 0 0 457.527 4.912 20 5 JJBDRN COc1cc(/C=C\C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1c(C)noc1C ZINC001458257483 1067014252 /nfs/dbraw/zinc/01/42/52/1067014252.db2.gz NEPWGMMVEABMPD-YFHOEESVSA-N 0 0 452.463 4.852 20 5 JJBDRN CN(C)S(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001458263977 1067016109 /nfs/dbraw/zinc/01/61/09/1067016109.db2.gz FGYKXYBCDDAUKF-RDJZCZTQSA-N 0 0 457.474 4.612 20 5 JJBDRN CC[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001458284389 1067021347 /nfs/dbraw/zinc/02/13/47/1067021347.db2.gz DFSKXFUNBPVBNZ-AWEZNQCLSA-N 0 0 453.808 4.771 20 5 JJBDRN CCC(CC)[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC001458295342 1067024454 /nfs/dbraw/zinc/02/44/54/1067024454.db2.gz YZWCXRYWAVNREC-GCJKJVERSA-N 0 0 453.605 4.555 20 5 JJBDRN COc1ccc([C@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c(Br)c1 ZINC001458298213 1067024937 /nfs/dbraw/zinc/02/49/37/1067024937.db2.gz NSXCECNGQHXWBL-LBPRGKRZSA-N 0 0 459.300 4.504 20 5 JJBDRN O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c([N+](=O)[O-])c1 ZINC001458300807 1067025233 /nfs/dbraw/zinc/02/52/33/1067025233.db2.gz IGYAEZJVBNFIHX-HXUWFJFHSA-N 0 0 453.857 4.836 20 5 JJBDRN Cc1ccc(NC(=O)c2ccc(NC[C@H]3CC(=O)N(Cc4ccccc4)C3)c([N+](=O)[O-])c2)cc1 ZINC001458302728 1067025304 /nfs/dbraw/zinc/02/53/04/1067025304.db2.gz NRGFWYLJPVVEPR-HXUWFJFHSA-N 0 0 458.518 4.616 20 5 JJBDRN O=[N+]([O-])c1cccc2ncnc(NCCOc3ccc(Br)cc3C(F)(F)F)c21 ZINC001458301204 1067025369 /nfs/dbraw/zinc/02/53/69/1067025369.db2.gz DRFQNWIOCGKMRH-UHFFFAOYSA-N 0 0 457.206 4.810 20 5 JJBDRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001458315810 1067028120 /nfs/dbraw/zinc/02/81/20/1067028120.db2.gz JYQSCJOOSZUMPD-INIZCTEOSA-N 0 0 458.318 4.833 20 5 JJBDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001458315768 1067028221 /nfs/dbraw/zinc/02/82/21/1067028221.db2.gz HMBXZZALGQOUDJ-GOSISDBHSA-N 0 0 454.355 4.709 20 5 JJBDRN CON(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@H](C)c1csc(C)n1 ZINC001449798378 1067029500 /nfs/dbraw/zinc/02/95/00/1067029500.db2.gz QUZZPEFOLIGPSA-SECBINFHSA-N 0 0 456.311 4.617 20 5 JJBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCCN1Cc1ccc(F)cc1F ZINC001458332302 1067032883 /nfs/dbraw/zinc/03/28/83/1067032883.db2.gz ZFODMJOJEPGDNU-IBGZPJMESA-N 0 0 456.424 4.677 20 5 JJBDRN COc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC001458349158 1067038593 /nfs/dbraw/zinc/03/85/93/1067038593.db2.gz SCNOJYNLIDXUEM-MGPUTAFESA-N 0 0 457.483 4.741 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CSc3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC001458355226 1067040843 /nfs/dbraw/zinc/04/08/43/1067040843.db2.gz MGGLGDGQEYVEOO-OAHLLOKOSA-N 0 0 459.325 4.581 20 5 JJBDRN CCS(=O)(=O)c1ccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])cc1 ZINC001458361448 1067042157 /nfs/dbraw/zinc/04/21/57/1067042157.db2.gz YEJQHDAHCCTTFG-UHFFFAOYSA-N 0 0 453.520 4.561 20 5 JJBDRN COc1cccc([C@@H]2C[C@H]2Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1 ZINC001458375431 1067045889 /nfs/dbraw/zinc/04/58/89/1067045889.db2.gz CLYHLFOVHNLFQM-NZQKXSOJSA-N 0 0 467.547 4.989 20 5 JJBDRN Cc1c(Br)cccc1C[C@@H](CO)CNc1ccc([N+](=O)[O-])cc1Br ZINC001458387203 1067047695 /nfs/dbraw/zinc/04/76/95/1067047695.db2.gz ZQAUOKFQASYMDU-GFCCVEGCSA-N 0 0 458.150 4.691 20 5 JJBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC001458388476 1067048246 /nfs/dbraw/zinc/04/82/46/1067048246.db2.gz QUIUHLQHYBBWIV-IVZQSRNASA-N 0 0 456.930 4.616 20 5 JJBDRN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[C@@H](Cc4ccc(Br)cc4)C3)c2c1 ZINC001458391841 1067049379 /nfs/dbraw/zinc/04/93/79/1067049379.db2.gz KYHLVPPSKJHOEL-AWEZNQCLSA-N 0 0 457.284 4.883 20 5 JJBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC001458407093 1067054155 /nfs/dbraw/zinc/05/41/55/1067054155.db2.gz QPDDHADRSYXDKC-UHFFFAOYSA-N 0 0 453.564 4.797 20 5 JJBDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001545768787 1067054825 /nfs/dbraw/zinc/05/48/25/1067054825.db2.gz GFJYWACDOYJLSN-XPGWFJOJSA-N 0 0 455.942 4.649 20 5 JJBDRN C[C@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001458412414 1067055224 /nfs/dbraw/zinc/05/52/24/1067055224.db2.gz HEOBXUCYBQIFOE-PXNSSMCTSA-N 0 0 453.539 4.813 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1 ZINC001458427777 1067058386 /nfs/dbraw/zinc/05/83/86/1067058386.db2.gz FSAPUKSBLKVNRL-DNVCBOLYSA-N 0 0 455.502 4.821 20 5 JJBDRN COC(=O)[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1c1ccc(Br)cc1 ZINC001458442713 1067061369 /nfs/dbraw/zinc/06/13/69/1067061369.db2.gz FCIJPMPORAAHCC-LSDHHAIUSA-N 0 0 473.245 4.769 20 5 JJBDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOc2cccc(Br)c2C1 ZINC001458453216 1067066578 /nfs/dbraw/zinc/06/65/78/1067066578.db2.gz DDXOMMZFEPQRLH-UHFFFAOYSA-N 0 0 453.292 4.987 20 5 JJBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(C(F)(F)F)nc1Cl ZINC001450266582 1067066577 /nfs/dbraw/zinc/06/65/77/1067066577.db2.gz DFYKYTZEENAORK-SSDOTTSWSA-N 0 0 452.614 4.916 20 5 JJBDRN CC(C)(C)OC(=O)N1CC2(C1)CCN(c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)CC2 ZINC001458464470 1067068896 /nfs/dbraw/zinc/06/88/96/1067068896.db2.gz QENOAYOBLPCSAI-UHFFFAOYSA-N 0 0 451.523 4.663 20 5 JJBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001458468612 1067070014 /nfs/dbraw/zinc/07/00/14/1067070014.db2.gz LLNKFVBMOCXZIW-UHFFFAOYSA-N 0 0 455.946 4.679 20 5 JJBDRN C[C@@H]1CCC[C@@]1(O)CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001450310569 1067070927 /nfs/dbraw/zinc/07/09/27/1067070927.db2.gz OGNLCNANTRANCD-YKYATQDJSA-N 0 0 451.548 4.803 20 5 JJBDRN CCOC(=O)c1sc2nc(C)nc(Oc3cc(Br)ccc3[N+](=O)[O-])c2c1C ZINC001458492885 1067073811 /nfs/dbraw/zinc/07/38/11/1067073811.db2.gz BRKZBKSHNLCNKT-UHFFFAOYSA-N 0 0 452.286 4.948 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001458501746 1067076201 /nfs/dbraw/zinc/07/62/01/1067076201.db2.gz LEAZIRSCTKQKPA-CYBMUJFWSA-N 0 0 456.337 4.723 20 5 JJBDRN O=[N+]([O-])c1ccc(Oc2cnc(Cl)cc2I)c(Br)c1 ZINC001458515037 1067079045 /nfs/dbraw/zinc/07/90/45/1067079045.db2.gz QDZXKCGANFHPEP-UHFFFAOYSA-N 0 0 455.433 4.803 20 5 JJBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)c1 ZINC001450473659 1067083812 /nfs/dbraw/zinc/08/38/12/1067083812.db2.gz WUKVXQLGSVYTAB-UHFFFAOYSA-N 0 0 459.524 4.699 20 5 JJBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C3CCC3)[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001458546838 1067085597 /nfs/dbraw/zinc/08/55/97/1067085597.db2.gz JCHOQMTTZBOOOE-WZONZLPQSA-N 0 0 459.568 4.630 20 5 JJBDRN C[C@H](O)C[C@H]1CCCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001546023989 1067086704 /nfs/dbraw/zinc/08/67/04/1067086704.db2.gz RIPFRSMKDDITIV-AITXVYHHSA-N 0 0 451.548 4.897 20 5 JJBDRN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC001450535646 1067087430 /nfs/dbraw/zinc/08/74/30/1067087430.db2.gz RNQCSMIODPDKOO-AULYBMBSSA-N 0 0 454.118 4.796 20 5 JJBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001450610665 1067095667 /nfs/dbraw/zinc/09/56/67/1067095667.db2.gz RUSRCWXKJIHAJC-SFHVURJKSA-N 0 0 456.804 4.603 20 5 JJBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1SC ZINC001458624041 1067097548 /nfs/dbraw/zinc/09/75/48/1067097548.db2.gz PSLGPTFSLHULCE-UHFFFAOYSA-N 0 0 456.351 4.595 20 5 JJBDRN Cn1ccnc1C(=O)c1ccc(N2CCC[C@H](CNc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001458632455 1067099691 /nfs/dbraw/zinc/09/96/91/1067099691.db2.gz OTQWZGIMZDZQIX-MRXNPFEDSA-N 0 0 453.930 4.541 20 5 JJBDRN COC(=O)c1ccccc1N(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C1CCC1 ZINC001458663716 1067103949 /nfs/dbraw/zinc/10/39/49/1067103949.db2.gz JIEVKVAPVQJEKJ-UHFFFAOYSA-N 0 0 451.523 4.817 20 5 JJBDRN NC(=O)N1CCc2cc(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)ccc21 ZINC001545802385 1067110636 /nfs/dbraw/zinc/11/06/36/1067110636.db2.gz RGYCDSLUFSIQHV-UHFFFAOYSA-N 0 0 452.854 4.734 20 5 JJBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCc1cc(F)c(C(F)(F)F)cc1F ZINC001450786285 1067120984 /nfs/dbraw/zinc/12/09/84/1067120984.db2.gz HVLQZAUKDJNQQN-UHFFFAOYSA-N 0 0 453.161 4.513 20 5 JJBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001458771797 1067138592 /nfs/dbraw/zinc/13/85/92/1067138592.db2.gz DMSMLLSIICIOEN-DOTOQJQBSA-N 0 0 458.433 4.881 20 5 JJBDRN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001458810221 1067151304 /nfs/dbraw/zinc/15/13/04/1067151304.db2.gz ILDUXQLBTOKCAW-UHFFFAOYSA-N 0 0 451.479 4.793 20 5 JJBDRN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001451187744 1067152820 /nfs/dbraw/zinc/15/28/20/1067152820.db2.gz YWHHCJCDPDUNEO-LLVKDONJSA-N 0 0 459.223 4.862 20 5 JJBDRN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001458852883 1067173784 /nfs/dbraw/zinc/17/37/84/1067173784.db2.gz GHPNWHNQWVZKGO-ZJUUUORDSA-N 0 0 451.232 4.890 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001451519077 1067176114 /nfs/dbraw/zinc/17/61/14/1067176114.db2.gz AEMIUWVZFHYSGQ-XWCIJXRUSA-N 0 0 463.428 4.537 20 5 JJBDRN COc1ccc([C@@H](NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 ZINC001458967637 1067212413 /nfs/dbraw/zinc/21/24/13/1067212413.db2.gz IKCHAQKLIKEQPT-IBGZPJMESA-N 0 0 451.342 4.726 20 5 JJBDRN NC(=O)c1ccc(-c2nc(CSc3ccc(Br)cc3[N+](=O)[O-])cs2)cc1 ZINC001458968409 1067212560 /nfs/dbraw/zinc/21/25/60/1067212560.db2.gz KXBPSZKNSNQQGB-UHFFFAOYSA-N 0 0 450.339 4.872 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC001458979475 1067216254 /nfs/dbraw/zinc/21/62/54/1067216254.db2.gz FMLBIJXRKQBIDP-UHFFFAOYSA-N 0 0 454.117 4.610 20 5 JJBDRN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001458983118 1067218134 /nfs/dbraw/zinc/21/81/34/1067218134.db2.gz UKENRUOOJQJVGS-GFCCVEGCSA-N 0 0 454.264 4.730 20 5 JJBDRN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)sc2c1CC[C@H](C)C2 ZINC001458990170 1067221682 /nfs/dbraw/zinc/22/16/82/1067221682.db2.gz CEYWSRZRMXKQTH-ZDUSSCGKSA-N 0 0 454.504 4.738 20 5 JJBDRN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)sc2c1CC[C@@H](C)C2 ZINC001458990159 1067221754 /nfs/dbraw/zinc/22/17/54/1067221754.db2.gz CEYWSRZRMXKQTH-CYBMUJFWSA-N 0 0 454.504 4.738 20 5 JJBDRN CCOC(=O)c1c(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)sc(C)c1C[C@H](C)CC ZINC001458995436 1067223971 /nfs/dbraw/zinc/22/39/71/1067223971.db2.gz DIBGRSZJUQYWBB-GFCCVEGCSA-N 0 0 452.504 4.887 20 5 JJBDRN CCOC(=O)c1oc2ccc(Br)cc2c1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC001458998031 1067224740 /nfs/dbraw/zinc/22/47/40/1067224740.db2.gz VNEPTIJCPOPQLY-UHFFFAOYSA-N 0 0 458.268 4.987 20 5 JJBDRN COc1cc(CN(C)C(=O)COc2cccc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC001458999392 1067225796 /nfs/dbraw/zinc/22/57/96/1067225796.db2.gz KZJAICDWTIKOQO-UHFFFAOYSA-N 0 0 450.491 4.528 20 5 JJBDRN Cc1cccc(C(C)C)c1NC(=O)COc1cc([N+](=O)[O-])ccc1I ZINC001459033711 1067235290 /nfs/dbraw/zinc/23/52/90/1067235290.db2.gz WFUNFAZSLVOPMG-UHFFFAOYSA-N 0 0 454.264 4.649 20 5 JJBDRN CCC[C@H](NC(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccccc1 ZINC001459038964 1067236324 /nfs/dbraw/zinc/23/63/24/1067236324.db2.gz MIEMKVHAGAUANH-KRWDZBQOSA-N 0 0 458.312 4.942 20 5 JJBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001459039592 1067236911 /nfs/dbraw/zinc/23/69/11/1067236911.db2.gz XDGYISVMTQKFRC-CYBMUJFWSA-N 0 0 456.296 4.919 20 5 JJBDRN COC(=O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1 ZINC001459074745 1067245328 /nfs/dbraw/zinc/24/53/28/1067245328.db2.gz JSFGPFVHIQOKPB-DEOSSOPVSA-N 0 0 450.516 4.607 20 5 JJBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC001546042786 1067247577 /nfs/dbraw/zinc/24/75/77/1067247577.db2.gz XRGUGHJCJOJZTA-UHFFFAOYSA-N 0 0 452.279 4.631 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001459119838 1067255115 /nfs/dbraw/zinc/25/51/15/1067255115.db2.gz HDFLMUWRJXLBCV-SZNDQCEHSA-N 0 0 453.322 4.675 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1cc(Cl)c2c(c1)OCCCO2 ZINC001459170553 1067265682 /nfs/dbraw/zinc/26/56/82/1067265682.db2.gz XAWGGKAZYJUUPQ-UHFFFAOYSA-N 0 0 459.636 4.659 20 5 JJBDRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)c2cccc([N+](=O)[O-])c2Br)cc1 ZINC001459229251 1067274396 /nfs/dbraw/zinc/27/43/96/1067274396.db2.gz STUXRVKIWLNZCO-UHFFFAOYSA-N 0 0 455.312 4.665 20 5 JJBDRN COc1cc(OC)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1Br ZINC001459249004 1067277230 /nfs/dbraw/zinc/27/72/30/1067277230.db2.gz XEPCZKNTMZQZAU-UHFFFAOYSA-N 0 0 458.268 4.689 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1Br ZINC001459314961 1067291785 /nfs/dbraw/zinc/29/17/85/1067291785.db2.gz CXPTYFLSHIXVDM-NSHDSACASA-N 0 0 455.692 4.678 20 5 JJBDRN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)s1 ZINC001459316438 1067292146 /nfs/dbraw/zinc/29/21/46/1067292146.db2.gz WPQZEQUNRDHIGK-MGPUTAFESA-N 0 0 455.502 4.551 20 5 JJBDRN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1Br ZINC001459318793 1067293662 /nfs/dbraw/zinc/29/36/62/1067293662.db2.gz OGOIAIHPADKJEU-NSHDSACASA-N 0 0 455.692 4.678 20 5 JJBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC001459319466 1067293699 /nfs/dbraw/zinc/29/36/99/1067293699.db2.gz SOORUMHENRIQLW-JOCHJYFZSA-N 0 0 455.942 4.567 20 5 JJBDRN CCOc1ccc(NC(=O)CN2CCC(c3c[nH]c4c3cccc4CC)CC2)c([N+](=O)[O-])c1 ZINC001459346031 1067299535 /nfs/dbraw/zinc/29/95/35/1067299535.db2.gz JXOSWBRIHAHJRH-UHFFFAOYSA-N 0 0 450.539 4.855 20 5 JJBDRN O=C(NC[C@@H](CO)CC1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001453448367 1067306801 /nfs/dbraw/zinc/30/68/01/1067306801.db2.gz SBHRAHNVYJFRCH-AWEZNQCLSA-N 0 0 454.470 4.903 20 5 JJBDRN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC001453538046 1067312148 /nfs/dbraw/zinc/31/21/48/1067312148.db2.gz DUZGDKUWCGZJHC-UHFFFAOYSA-N 0 0 459.930 4.795 20 5 JJBDRN O=C(Nc1cc(C(F)(F)F)ccc1Br)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001459405736 1067314851 /nfs/dbraw/zinc/31/48/51/1067314851.db2.gz SKULLNXDWKQHLP-HNNXBMFYSA-N 0 0 458.190 4.508 20 5 JJBDRN Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001459426024 1067322756 /nfs/dbraw/zinc/32/27/56/1067322756.db2.gz NSUHXQIYYOGYFJ-FQEVSTJZSA-N 0 0 459.930 4.991 20 5 JJBDRN O=C(Nc1ccc2ccc(Cl)cc2n1)c1cc([N+](=O)[O-])ccc1I ZINC001459446911 1067326003 /nfs/dbraw/zinc/32/60/03/1067326003.db2.gz IVTMBBBWDXDSAQ-UHFFFAOYSA-N 0 0 453.623 4.653 20 5 JJBDRN CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001459462590 1067330470 /nfs/dbraw/zinc/33/04/70/1067330470.db2.gz CDHROLLHPNOUKP-HXUWFJFHSA-N 0 0 454.315 4.904 20 5 JJBDRN C[C@@H]1SCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1c1ccccc1 ZINC001459491554 1067337481 /nfs/dbraw/zinc/33/74/81/1067337481.db2.gz RHKNCUYLDVBAKG-YCRPNKLZSA-N 0 0 454.577 4.835 20 5 JJBDRN COc1ccc(CN(CC2CC2)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(OC)c1 ZINC001459506547 1067340678 /nfs/dbraw/zinc/34/06/78/1067340678.db2.gz CYIXVPAUGJDOSY-UHFFFAOYSA-N 0 0 453.539 4.655 20 5 JJBDRN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001459579193 1067355882 /nfs/dbraw/zinc/35/58/82/1067355882.db2.gz LKLYDKXCZPITPR-MSOLQXFVSA-N 0 0 451.420 4.641 20 5 JJBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC001459587223 1067357961 /nfs/dbraw/zinc/35/79/61/1067357961.db2.gz HAQPYPZLPJVUHE-QGZVFWFLSA-N 0 0 450.358 4.773 20 5 JJBDRN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001459592576 1067359022 /nfs/dbraw/zinc/35/90/22/1067359022.db2.gz ZNHBMDAPJSJFQN-LBPRGKRZSA-N 0 0 456.292 4.915 20 5 JJBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC001459616795 1067365282 /nfs/dbraw/zinc/36/52/82/1067365282.db2.gz PDMRSNLUYLHXRX-UHFFFAOYSA-N 0 0 452.536 4.785 20 5 JJBDRN COc1cnc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC001459631684 1067368782 /nfs/dbraw/zinc/36/87/82/1067368782.db2.gz HOYDYEIUEASAQZ-UHFFFAOYSA-N 0 0 450.398 4.816 20 5 JJBDRN Cc1nc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)sc1Cc1c(F)cccc1F ZINC001459639665 1067370309 /nfs/dbraw/zinc/37/03/09/1067370309.db2.gz UGIOSMXUQKRVKH-UHFFFAOYSA-N 0 0 455.446 4.667 20 5 JJBDRN C[C@H](NC(=O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl ZINC001459643286 1067370698 /nfs/dbraw/zinc/37/06/98/1067370698.db2.gz JEHKSJHAJMFCFM-AWEZNQCLSA-N 0 0 452.338 4.622 20 5 JJBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc2c(Br)cccc2cn1 ZINC001459744738 1067403281 /nfs/dbraw/zinc/40/32/81/1067403281.db2.gz YUZBXGIFHMTJMN-UHFFFAOYSA-N 0 0 454.202 4.854 20 5 JJBDRN Cc1c(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc(Br)cc1[N+](=O)[O-] ZINC001459750846 1067406324 /nfs/dbraw/zinc/40/63/24/1067406324.db2.gz DBEKVAPMGQAHQX-UHFFFAOYSA-N 0 0 455.255 4.631 20 5 JJBDRN CCOc1cc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CC(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001459758209 1067409893 /nfs/dbraw/zinc/40/98/93/1067409893.db2.gz YUSPAHPOFWGQKY-UHFFFAOYSA-N 0 0 457.958 4.663 20 5 JJBDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC001459759253 1067410274 /nfs/dbraw/zinc/41/02/74/1067410274.db2.gz OMMVIOOTNGWQPT-INIZCTEOSA-N 0 0 453.520 4.512 20 5 JJBDRN O=C(CN1CCC(=Cc2cccc(F)c2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459791287 1067424398 /nfs/dbraw/zinc/42/43/98/1067424398.db2.gz JXMMTSCBAFKRSP-UHFFFAOYSA-N 0 0 452.511 4.975 20 5 JJBDRN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC001459846001 1067451464 /nfs/dbraw/zinc/45/14/64/1067451464.db2.gz XAECUAYEBSBBAN-UHFFFAOYSA-N 0 0 454.365 4.580 20 5 JJBDRN O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1I ZINC001459853786 1067458304 /nfs/dbraw/zinc/45/83/04/1067458304.db2.gz DRNKUXDLZSQLIJ-GJZGRUSLSA-N 0 0 450.276 4.656 20 5 JJBDRN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460005833 1067524033 /nfs/dbraw/zinc/52/40/33/1067524033.db2.gz OBMZJTIFZHJOAP-LSDHHAIUSA-N 0 0 480.156 4.808 20 5 JJBDRN Cc1c(Cl)cccc1N1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001460012807 1067526808 /nfs/dbraw/zinc/52/68/08/1067526808.db2.gz BRBUUHPBNTUPEB-UHFFFAOYSA-N 0 0 456.974 4.512 20 5 JJBDRN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1OC ZINC001460017620 1067529296 /nfs/dbraw/zinc/52/92/96/1067529296.db2.gz HSUSFAKHYJCEMJ-KSFYIVLOSA-N 0 0 459.930 4.975 20 5 JJBDRN CN=[S@](C)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1 ZINC001460057241 1067540976 /nfs/dbraw/zinc/54/09/76/1067540976.db2.gz XNUCUMNOOMDHND-JGCGQSQUSA-N 0 0 455.492 4.735 20 5 JJBDRN CC1CCN(C(=O)OC[C@@H]2CCCCN2Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001460066785 1067544012 /nfs/dbraw/zinc/54/40/12/1067544012.db2.gz CFTKNRWCYCITQF-SFHVURJKSA-N 0 0 454.365 4.580 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)cc3)cc2[N+](=O)[O-])n1 ZINC001460136187 1067562462 /nfs/dbraw/zinc/56/24/62/1067562462.db2.gz CKUFNMMSLATJQN-GOSISDBHSA-N 0 0 459.524 4.864 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCOC[C@H]3c3ccc(F)cc3)cc2[N+](=O)[O-])n1 ZINC001460136188 1067562513 /nfs/dbraw/zinc/56/25/13/1067562513.db2.gz CKUFNMMSLATJQN-SFHVURJKSA-N 0 0 459.524 4.864 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 ZINC001460186441 1067574262 /nfs/dbraw/zinc/57/42/62/1067574262.db2.gz GRAZQFLUCXXNFW-HNNXBMFYSA-N 0 0 450.308 4.884 20 5 JJBDRN O=C(NC1CCCCC1)OC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC001460198927 1067577360 /nfs/dbraw/zinc/57/73/60/1067577360.db2.gz QWKSNXCKGKHBGG-SFHVURJKSA-N 0 0 454.365 4.771 20 5 JJBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC001460213808 1067581091 /nfs/dbraw/zinc/58/10/91/1067581091.db2.gz MWTIMPGNTNVGGO-QGZVFWFLSA-N 0 0 458.356 4.977 20 5 JJBDRN COc1cc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001460240413 1067589097 /nfs/dbraw/zinc/58/90/97/1067589097.db2.gz NBIMDGMFKVQZNQ-HOCLYGCPSA-N 0 0 452.429 4.985 20 5 JJBDRN O=[N+]([O-])c1cccc([C@H](NCc2cccc([N+](=O)[O-])c2Br)C(F)(F)F)c1F ZINC001460248726 1067591214 /nfs/dbraw/zinc/59/12/14/1067591214.db2.gz SCDJAOLIACRAJK-AWEZNQCLSA-N 0 0 452.158 4.798 20 5 JJBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460300940 1067601887 /nfs/dbraw/zinc/60/18/87/1067601887.db2.gz JSCISDQXNPZQFA-AYOQOUSVSA-N 0 0 473.957 4.633 20 5 JJBDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001460319816 1067607212 /nfs/dbraw/zinc/60/72/12/1067607212.db2.gz YWYOPXKRVOYGOL-MISYRCLQSA-N 0 0 453.967 4.675 20 5 JJBDRN CN(CC(=O)NCC(C)(C)c1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001460351739 1067615050 /nfs/dbraw/zinc/61/50/50/1067615050.db2.gz RYZRQSUEBCTIIV-UHFFFAOYSA-N 0 0 454.752 4.541 20 5 JJBDRN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001460355092 1067615435 /nfs/dbraw/zinc/61/54/35/1067615435.db2.gz ACVLKEHXVLEVFJ-UHFFFAOYSA-N 0 0 455.190 4.814 20 5 JJBDRN CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)CSc3ccccc3[N+](=O)[O-])ccc21 ZINC001460424905 1067632670 /nfs/dbraw/zinc/63/26/70/1067632670.db2.gz HMRCDHMBVQAKTQ-UHFFFAOYSA-N 0 0 457.552 4.691 20 5 JJBDRN O=[N+]([O-])c1cccc(OCCN2CCc3cc(Br)c(Br)cc3C2)c1 ZINC001460510422 1067646658 /nfs/dbraw/zinc/64/66/58/1067646658.db2.gz HMXKZPJFWNZUOC-UHFFFAOYSA-N 0 0 456.134 4.557 20 5 JJBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460612680 1067672327 /nfs/dbraw/zinc/67/23/27/1067672327.db2.gz WOOGMECXNIHBPK-OCCSQVGLSA-N 0 0 452.736 4.827 20 5 JJBDRN O=C(NCC1(c2ccccc2Br)CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001460627326 1067677383 /nfs/dbraw/zinc/67/73/83/1067677383.db2.gz YJFCKPCDNGIGRX-UHFFFAOYSA-N 0 0 455.255 4.810 20 5 JJBDRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001460669335 1067694490 /nfs/dbraw/zinc/69/44/90/1067694490.db2.gz WVZYOXKQLJYGEN-MAUKXSAKSA-N 0 0 454.365 4.579 20 5 JJBDRN CCOC(=O)c1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 ZINC001460721555 1067709495 /nfs/dbraw/zinc/70/94/95/1067709495.db2.gz BYTGDEQYPCMDMW-SOUVJXGZSA-N 0 0 459.568 4.636 20 5 JJBDRN COc1cc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460739920 1067712995 /nfs/dbraw/zinc/71/29/95/1067712995.db2.gz BWPBTVQKLZOFNZ-LLVKDONJSA-N 0 0 450.360 4.997 20 5 JJBDRN COc1cc(CN2Cc3cc(Br)ccc3OC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC001460804226 1067727298 /nfs/dbraw/zinc/72/72/98/1067727298.db2.gz ZQEMFWBEFOPGLB-UHFFFAOYSA-N 0 0 451.292 4.822 20 5 JJBDRN Cc1c(NC(=O)[C@H](C)N2CCc3cc(Cl)cc(Br)c3C2)cccc1[N+](=O)[O-] ZINC001460831553 1067731458 /nfs/dbraw/zinc/73/14/58/1067731458.db2.gz ALKAOCCPYCQQNA-LBPRGKRZSA-N 0 0 452.736 4.704 20 5 JJBDRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)co1 ZINC001460918958 1067748147 /nfs/dbraw/zinc/74/81/47/1067748147.db2.gz YDYVPUBKFCJPSA-ZPUOCTKUSA-N 0 0 458.364 4.715 20 5 JJBDRN CCn1cccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1=O ZINC001460964204 1067753917 /nfs/dbraw/zinc/75/39/17/1067753917.db2.gz TYGCRALOEWPFID-UHFFFAOYSA-N 0 0 452.517 4.790 20 5 JJBDRN COc1cc(CNCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461016349 1067762619 /nfs/dbraw/zinc/76/26/19/1067762619.db2.gz RBMWJXAHRAVHBW-UHFFFAOYSA-N 0 0 454.323 4.733 20 5 JJBDRN CCOc1cc(CNc2ncccc2C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001461068315 1067775342 /nfs/dbraw/zinc/77/53/42/1067775342.db2.gz JFHWYUXTUFTZDH-UHFFFAOYSA-N 0 0 451.479 4.755 20 5 JJBDRN COc1cc(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001461109848 1067783760 /nfs/dbraw/zinc/78/37/60/1067783760.db2.gz ZPQPLLPGIGXLLA-QAPCUYQASA-N 0 0 459.568 4.927 20 5 JJBDRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001461186248 1067795226 /nfs/dbraw/zinc/79/52/26/1067795226.db2.gz SGLWAPIHZKCJJU-OAHLLOKOSA-N 0 0 452.438 4.842 20 5 JJBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001461221690 1067802591 /nfs/dbraw/zinc/80/25/91/1067802591.db2.gz FGSHNQAQJNKLTC-UHFFFAOYSA-N 0 0 451.227 4.662 20 5 JJBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(C)(=O)=O)c2ccncc12 ZINC001461342447 1067834230 /nfs/dbraw/zinc/83/42/30/1067834230.db2.gz WMZKOFIIYPRZAN-UHFFFAOYSA-N 0 0 459.549 4.691 20 5 JJBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)F)ccc1F ZINC001461357680 1067837322 /nfs/dbraw/zinc/83/73/22/1067837322.db2.gz WVXTVDXYEZROJN-UHFFFAOYSA-N 0 0 450.154 4.837 20 5 JJBDRN CN(CCc1ccccc1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001461451095 1067859958 /nfs/dbraw/zinc/85/99/58/1067859958.db2.gz QNBVTHJUOCMMLB-UHFFFAOYSA-N 0 0 450.495 4.805 20 5 JJBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001461471996 1067866187 /nfs/dbraw/zinc/86/61/87/1067866187.db2.gz OWPIYOQKJMDBJV-TZIWHRDSSA-N 0 0 471.529 4.874 20 5 JJBDRN COc1cc(OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ccc1Br ZINC001461502716 1067877715 /nfs/dbraw/zinc/87/77/15/1067877715.db2.gz FKQLLMSVNUQXBG-UHFFFAOYSA-N 0 0 450.163 4.526 20 5 JJBDRN O=[N+]([O-])c1cccc(Br)c1CNc1ccn(-c2ccc(Br)cc2)n1 ZINC001461526996 1067881382 /nfs/dbraw/zinc/88/13/82/1067881382.db2.gz CZVSTGLBOGXLCH-UHFFFAOYSA-N 0 0 452.106 4.918 20 5 JJBDRN COc1cc(CNc2ccc3c(cc(C)c(=O)n3C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461530409 1067881722 /nfs/dbraw/zinc/88/17/22/1067881722.db2.gz GRNALNSSJQSGKF-UHFFFAOYSA-N 0 0 459.502 4.955 20 5 JJBDRN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001461567400 1067890307 /nfs/dbraw/zinc/89/03/07/1067890307.db2.gz BJIMBPVVVFSUQD-BDTNDASRSA-N 0 0 467.522 4.645 20 5 JJBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC[C@H]1c1cccc(Br)c1 ZINC001461594049 1067896432 /nfs/dbraw/zinc/89/64/32/1067896432.db2.gz GGHBAVNSCHPNPQ-INIZCTEOSA-N 0 0 459.218 4.590 20 5 JJBDRN Cc1cc(=O)c(C(=O)Nc2cccc(Sc3ccccc3)c2)nn1-c1ccccc1[N+](=O)[O-] ZINC001461669477 1067914613 /nfs/dbraw/zinc/91/46/13/1067914613.db2.gz MKMWJLKVBWMAEF-UHFFFAOYSA-N 0 0 458.499 4.853 20 5 JJBDRN CCCOc1cncc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC001461670803 1067915075 /nfs/dbraw/zinc/91/50/75/1067915075.db2.gz YHENSPHJBOUAJS-UHFFFAOYSA-N 0 0 452.433 4.653 20 5 JJBDRN CN1C(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001461703206 1067921891 /nfs/dbraw/zinc/92/18/91/1067921891.db2.gz CNGPVEIBQGXGKV-XCLFUZPHSA-N 0 0 459.289 4.608 20 5 JJBDRN CN1C(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001461703202 1067921904 /nfs/dbraw/zinc/92/19/04/1067921904.db2.gz CNGPVEIBQGXGKV-RNODOKPDSA-N 0 0 459.289 4.608 20 5 JJBDRN COc1ccc(-c2ccc(CNCc3cc(NC(=O)OC(C)(C)C)ccn3)o2)c([N+](=O)[O-])c1 ZINC001461761150 1067932316 /nfs/dbraw/zinc/93/23/16/1067932316.db2.gz OFDZIWHXCRBEME-UHFFFAOYSA-N 0 0 454.483 4.895 20 5 JJBDRN CCOc1ccc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC001461771050 1067933916 /nfs/dbraw/zinc/93/39/16/1067933916.db2.gz UHNOJOYMEWVYRM-INIZCTEOSA-N 0 0 451.342 4.763 20 5 JJBDRN CCOc1ccc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC001461771056 1067933935 /nfs/dbraw/zinc/93/39/35/1067933935.db2.gz UHNOJOYMEWVYRM-MRXNPFEDSA-N 0 0 451.342 4.763 20 5 JJBDRN Cc1cccc2c1CCC[C@H]2NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001461791008 1067937576 /nfs/dbraw/zinc/93/75/76/1067937576.db2.gz CEPIPYBSCIHWHK-PXDATVDWSA-N 0 0 453.539 4.837 20 5 JJBDRN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)c(Cl)cc1I ZINC001461943970 1067966035 /nfs/dbraw/zinc/96/60/35/1067966035.db2.gz FXUJFZDQFZFKCJ-UHFFFAOYSA-N 0 0 452.582 4.692 20 5 JJBDRN Cc1oc(-c2cccs2)nc1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001461969302 1067971484 /nfs/dbraw/zinc/97/14/84/1067971484.db2.gz OYUVBDATHIWFKX-UHFFFAOYSA-N 0 0 452.458 4.961 20 5 JJBDRN COC(=O)[C@@](C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001462018449 1067982431 /nfs/dbraw/zinc/98/24/31/1067982431.db2.gz BYSUQNSMVKKCIA-SANMLTNESA-N 0 0 455.470 4.628 20 5 JJBDRN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC001462106908 1068004632 /nfs/dbraw/zinc/00/46/32/1068004632.db2.gz YSFDBCLQZYDYLM-UHFFFAOYSA-N 0 0 457.752 4.792 20 5 JJBDRN CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)cnn1-c1cccc(F)c1 ZINC001546130715 1068047825 /nfs/dbraw/zinc/04/78/25/1068047825.db2.gz ZZRHCACYWFOFMJ-UHFFFAOYSA-N 0 0 458.515 4.863 20 5 JJBDRN CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCCN(CC(F)(F)F)CC2)CCCC1 ZINC001546130997 1068056988 /nfs/dbraw/zinc/05/69/88/1068056988.db2.gz LUMHHSQIOCDTRM-UHFFFAOYSA-N 0 0 480.535 4.898 20 5 JJBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001462444052 1068075533 /nfs/dbraw/zinc/07/55/33/1068075533.db2.gz SZBITZNFPMWSKN-KRWDZBQOSA-N 0 0 458.776 4.783 20 5 JJBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Oc1cc(C(C)(C)C)ccc1I ZINC001462491090 1068084221 /nfs/dbraw/zinc/08/42/21/1068084221.db2.gz OZEVFHAMLRVZGQ-UHFFFAOYSA-N 0 0 455.248 4.725 20 5 JJBDRN CC(=O)c1c(C)cc(OC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cc1C ZINC001462525663 1068092001 /nfs/dbraw/zinc/09/20/01/1068092001.db2.gz BGWPRJFSQIISAD-XMMPIXPASA-N 0 0 456.495 4.760 20 5 JJBDRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001462560798 1068098410 /nfs/dbraw/zinc/09/84/10/1068098410.db2.gz BBWQXNRYOJRRCZ-KRWDZBQOSA-N 0 0 453.539 4.918 20 5 JJBDRN C[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001462571175 1068101099 /nfs/dbraw/zinc/10/10/99/1068101099.db2.gz FFOSDZBWKYVGGZ-KRWDZBQOSA-N 0 0 455.580 4.874 20 5 JJBDRN CCOC(=O)c1cc(OCC)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001462575034 1068101789 /nfs/dbraw/zinc/10/17/89/1068101789.db2.gz VAOAFOGWAYHBJR-UHFFFAOYSA-N 0 0 455.511 4.659 20 5 JJBDRN Cc1c(C)c(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1I ZINC001462597852 1068108726 /nfs/dbraw/zinc/10/87/26/1068108726.db2.gz VMVKTERSEGBKET-NSHDSACASA-N 0 0 453.280 4.645 20 5 JJBDRN O=C(Oc1ccccc1)c1cc2ccccc2cc1OS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001462693823 1068133548 /nfs/dbraw/zinc/13/35/48/1068133548.db2.gz JBYMQPGUJBWREC-UHFFFAOYSA-N 0 0 455.469 4.796 20 5 JJBDRN COc1cc(OCC(=O)N2C[C@@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)ccc1[N+](=O)[O-] ZINC001462712727 1068139502 /nfs/dbraw/zinc/13/95/02/1068139502.db2.gz VHQAJVJLSYLHNR-NSHDSACASA-N 0 0 458.820 4.880 20 5 JJBDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001462728491 1068145996 /nfs/dbraw/zinc/14/59/96/1068145996.db2.gz AEDWKYSQTFCOPH-IEBWSBKVSA-N 0 0 468.554 4.961 20 5 JJBDRN CCOc1ccc([C@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C(C)C)cc1OCC ZINC001462749865 1068154292 /nfs/dbraw/zinc/15/42/92/1068154292.db2.gz AITQPRBWLFXQFO-JOCHJYFZSA-N 0 0 450.557 4.685 20 5 JJBDRN COC(=O)Nc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC001462766317 1068160225 /nfs/dbraw/zinc/16/02/25/1068160225.db2.gz OOHMIDBBSAZPSG-UHFFFAOYSA-N 0 0 455.659 4.501 20 5 JJBDRN COC(=O)c1cc(Oc2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)cc2)ccn1 ZINC001462778868 1068165941 /nfs/dbraw/zinc/16/59/41/1068165941.db2.gz YFUQVZWMPFBULI-UHFFFAOYSA-N 0 0 455.854 4.793 20 5 JJBDRN COc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)c([N+](=O)[O-])cc1F ZINC001462830019 1068181399 /nfs/dbraw/zinc/18/13/99/1068181399.db2.gz JEEPEQLXYXGGGQ-FQEVSTJZSA-N 0 0 451.292 4.742 20 5 JJBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC001462898414 1068208189 /nfs/dbraw/zinc/20/81/89/1068208189.db2.gz XJMHRYCMFPEEQR-LJQANCHMSA-N 0 0 459.936 4.926 20 5 JJBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C2CCCC2)c(Br)c1 ZINC001462943237 1068222536 /nfs/dbraw/zinc/22/25/36/1068222536.db2.gz CHEYGYRSJITYHA-UHFFFAOYSA-N 0 0 457.321 4.630 20 5 JJBDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC001462951386 1068226802 /nfs/dbraw/zinc/22/68/02/1068226802.db2.gz VEXHFOHTRGXUDV-OAQYLSRUSA-N 0 0 458.511 4.622 20 5 JJBDRN CC(C)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001462956124 1068228715 /nfs/dbraw/zinc/22/87/15/1068228715.db2.gz ZVJOHGIBVDRXIZ-UHFFFAOYSA-N 0 0 455.722 4.950 20 5 JJBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC3(CCCC3)c3c2cccc3F)c1 ZINC001463005851 1068247496 /nfs/dbraw/zinc/24/74/96/1068247496.db2.gz GNLYNIKNTSAJJP-UHFFFAOYSA-N 0 0 455.305 4.517 20 5 JJBDRN COc1ccc2oc([C@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2c1 ZINC001463046198 1068263799 /nfs/dbraw/zinc/26/37/99/1068263799.db2.gz KFZPGSWOUHJROV-NSHDSACASA-N 0 0 458.414 4.716 20 5 JJBDRN C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001463084308 1068281807 /nfs/dbraw/zinc/28/18/07/1068281807.db2.gz FCSWYTYLSXGZHE-VMDBXTETSA-N 0 0 459.749 4.686 20 5 JJBDRN C[C@H](C(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001463092971 1068284260 /nfs/dbraw/zinc/28/42/60/1068284260.db2.gz KAXQCVMCGLDWLO-HNNXBMFYSA-N 0 0 451.539 4.627 20 5 JJBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)c1ccc(Br)cc1 ZINC001463095052 1068284959 /nfs/dbraw/zinc/28/49/59/1068284959.db2.gz QXBHKNXJFBAHJO-JTQLQIEISA-N 0 0 456.134 4.962 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC001463115109 1068292258 /nfs/dbraw/zinc/29/22/58/1068292258.db2.gz SJVHMGNUMNRSSE-UHFFFAOYSA-N 0 0 459.351 4.690 20 5 JJBDRN CSc1ccc(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001463125314 1068295524 /nfs/dbraw/zinc/29/55/24/1068295524.db2.gz YVVGXOJKDUZVKL-HNNXBMFYSA-N 0 0 451.342 4.763 20 5 JJBDRN Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001463165495 1068307807 /nfs/dbraw/zinc/30/78/07/1068307807.db2.gz WNMPEIAOLKUIFP-ZDUSSCGKSA-N 0 0 455.820 4.563 20 5 JJBDRN Cc1csc(Sc2ccc(C(=O)N3CCn4nc(C(C)(C)C)cc4C3)cc2[N+](=O)[O-])n1 ZINC001463190057 1068315040 /nfs/dbraw/zinc/31/50/40/1068315040.db2.gz UVDKJNXGLZWFGO-UHFFFAOYSA-N 0 0 457.581 4.661 20 5 JJBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001463239836 1068332011 /nfs/dbraw/zinc/33/20/11/1068332011.db2.gz XQQIOAIYSIJAMZ-INIZCTEOSA-N 0 0 459.351 4.751 20 5 JJBDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463253704 1068335987 /nfs/dbraw/zinc/33/59/87/1068335987.db2.gz SPQNDHNFZDQCAC-IRXDYDNUSA-N 0 0 453.358 4.704 20 5 JJBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1csc2ccccc21 ZINC001463286182 1068344546 /nfs/dbraw/zinc/34/45/46/1068344546.db2.gz KOJNAJQKWGTZCT-JTQLQIEISA-N 0 0 452.273 4.905 20 5 JJBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC2(c3cccc(Cl)c3)CCCC2)c(C)c1[N+](=O)[O-] ZINC001463298608 1068349217 /nfs/dbraw/zinc/34/92/17/1068349217.db2.gz XCWWHLUHRKGWHV-UHFFFAOYSA-N 0 0 453.904 4.521 20 5 JJBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCc2ccccc2SC(F)(F)F)c1 ZINC001463300731 1068349693 /nfs/dbraw/zinc/34/96/93/1068349693.db2.gz ZYHJHHCFNUCBAH-UHFFFAOYSA-N 0 0 450.442 4.690 20 5 JJBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC001463319098 1068354511 /nfs/dbraw/zinc/35/45/11/1068354511.db2.gz DJLMRFVSIFLBKA-LJQANCHMSA-N 0 0 452.319 4.673 20 5 JJBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC001463327935 1068357627 /nfs/dbraw/zinc/35/76/27/1068357627.db2.gz MNRYGAHAQBVYPN-NRFANRHFSA-N 0 0 456.495 4.539 20 5 JJBDRN O=C(Nc1ccc(Br)cc1OC(F)F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001463329892 1068358064 /nfs/dbraw/zinc/35/80/64/1068358064.db2.gz ZWGMDXUOIBYHHV-UHFFFAOYSA-N 0 0 453.142 4.812 20 5 JJBDRN C[C@@H](Nc1ccc(C(=O)N2CCCSC[C@H]2C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC001463363001 1068372035 /nfs/dbraw/zinc/37/20/35/1068372035.db2.gz XNWKUZADLXOAIP-ACJLOTCBSA-N 0 0 454.474 4.673 20 5 JJBDRN Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001463364249 1068372533 /nfs/dbraw/zinc/37/25/33/1068372533.db2.gz ZKDCIVLHHIHAIE-XDHUDOTRSA-N 0 0 454.523 4.810 20 5 JJBDRN COc1cc(C(=O)N=[S@](C)(=O)c2ccccc2F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001463373279 1068375590 /nfs/dbraw/zinc/37/55/90/1068375590.db2.gz XWEVRBHQPJSFBM-JGCGQSQUSA-N 0 0 458.467 4.619 20 5 JJBDRN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001463449889 1068400972 /nfs/dbraw/zinc/40/09/72/1068400972.db2.gz GHOCCNHDAOONKU-ZDUSSCGKSA-N 0 0 454.280 4.502 20 5 JJBDRN Cc1ccc(S(=O)(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC001463511902 1068424625 /nfs/dbraw/zinc/42/46/25/1068424625.db2.gz KSILPWFOTMGGON-LJQANCHMSA-N 0 0 455.374 4.824 20 5 JJBDRN CC(C)(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC001463547518 1068437404 /nfs/dbraw/zinc/43/74/04/1068437404.db2.gz QXTJRDHAQYDASU-NWDGAFQWSA-N 0 0 451.358 4.770 20 5 JJBDRN COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001463603540 1068462467 /nfs/dbraw/zinc/46/24/67/1068462467.db2.gz BUECFUKYNJDTGY-AWEZNQCLSA-N 0 0 453.731 4.563 20 5 JJBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(C)c1[N+](=O)[O-] ZINC001463605423 1068463425 /nfs/dbraw/zinc/46/34/25/1068463425.db2.gz BKVUMIQPOUTYMV-INIZCTEOSA-N 0 0 457.321 4.639 20 5 JJBDRN COc1ccc(N(CCC(C)C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC001463669223 1068489006 /nfs/dbraw/zinc/48/90/06/1068489006.db2.gz ZKLPFCNBQQWTPU-UHFFFAOYSA-N 0 0 457.346 4.607 20 5 JJBDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2C)c1 ZINC001463676207 1068490564 /nfs/dbraw/zinc/49/05/64/1068490564.db2.gz MNJGWJZXPKZNLD-UHFFFAOYSA-N 0 0 453.520 4.882 20 5 JJBDRN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001463707450 1068500746 /nfs/dbraw/zinc/50/07/46/1068500746.db2.gz QDMLSBLGGZNKTG-UHFFFAOYSA-N 0 0 453.882 4.861 20 5 JJBDRN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001463741356 1068509213 /nfs/dbraw/zinc/50/92/13/1068509213.db2.gz CIGXIOVVFFKKCO-HNNXBMFYSA-N 0 0 458.971 4.696 20 5 JJBDRN O=C(Nc1ccc(OC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001463742662 1068509641 /nfs/dbraw/zinc/50/96/41/1068509641.db2.gz QFBMJAKMSLFJPP-MSOLQXFVSA-N 0 0 452.385 4.500 20 5 JJBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCc2c(OC(F)F)cccc21 ZINC001463761240 1068515902 /nfs/dbraw/zinc/51/59/02/1068515902.db2.gz YZPPLHLEKFDELL-UHFFFAOYSA-N 0 0 453.250 4.645 20 5 JJBDRN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001463826482 1068538394 /nfs/dbraw/zinc/53/83/94/1068538394.db2.gz SRGMHTBUXIRESL-FQEVSTJZSA-N 0 0 456.955 4.939 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001463827638 1068539340 /nfs/dbraw/zinc/53/93/40/1068539340.db2.gz VUVCZWHTGHQONV-UHFFFAOYSA-N 0 0 455.870 4.576 20 5 JJBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001463884717 1068555005 /nfs/dbraw/zinc/55/50/05/1068555005.db2.gz ZOACXQKCWXHLPH-GOSISDBHSA-N 0 0 453.520 4.603 20 5 JJBDRN CN([C@@H]1CCCC[C@H]1c1ccccc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001463882086 1068555029 /nfs/dbraw/zinc/55/50/29/1068555029.db2.gz GOLJJAOYBXSBHS-RBUKOAKNSA-N 0 0 453.358 4.704 20 5 JJBDRN COc1ccc(N(CC(C)C)S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC001463904172 1068561085 /nfs/dbraw/zinc/56/10/85/1068561085.db2.gz IXJCEIBMHKTISF-UHFFFAOYSA-N 0 0 457.346 4.526 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001464030492 1068593897 /nfs/dbraw/zinc/59/38/97/1068593897.db2.gz PIHHUFWOGPQXMK-IAGOWNOFSA-N 0 0 456.520 4.783 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001464030486 1068593933 /nfs/dbraw/zinc/59/39/33/1068593933.db2.gz PIHHUFWOGPQXMK-DLBZAZTESA-N 0 0 456.520 4.783 20 5 JJBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030500 1068593962 /nfs/dbraw/zinc/59/39/62/1068593962.db2.gz PIHHUFWOGPQXMK-IRXDYDNUSA-N 0 0 456.520 4.783 20 5 JJBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC001464057537 1068601810 /nfs/dbraw/zinc/60/18/10/1068601810.db2.gz MHIIWROPWPIZBN-UHFFFAOYSA-N 0 0 450.308 4.880 20 5 JJBDRN Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001464098098 1068614652 /nfs/dbraw/zinc/61/46/52/1068614652.db2.gz FVMUGAVPXVZQSG-OAHLLOKOSA-N 0 0 457.943 4.548 20 5 JJBDRN CON([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001464117511 1068620511 /nfs/dbraw/zinc/62/05/11/1068620511.db2.gz XDBJHCFOLZTONU-SECBINFHSA-N 0 0 456.801 4.719 20 5 JJBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001464128330 1068626112 /nfs/dbraw/zinc/62/61/12/1068626112.db2.gz GRVCNVBXYOFKPQ-UHFFFAOYSA-N 0 0 451.426 4.520 20 5 JJBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)cc1Cl ZINC001464130822 1068627161 /nfs/dbraw/zinc/62/71/61/1068627161.db2.gz VJIZZEFAZAISLN-UHFFFAOYSA-N 0 0 452.813 4.764 20 5 JJBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464241678 1068671913 /nfs/dbraw/zinc/67/19/13/1068671913.db2.gz UUNWGGNXHUTARL-YPMHNXCESA-N 0 0 459.749 4.577 20 5 JJBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC001464253966 1068677250 /nfs/dbraw/zinc/67/72/50/1068677250.db2.gz ODBQZTPNPOXFBB-KRWDZBQOSA-N 0 0 459.749 4.678 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(F)c2ccncc12)c1cccc([N+](=O)[O-])c1 ZINC001464287951 1068692121 /nfs/dbraw/zinc/69/21/21/1068692121.db2.gz IFNFSVBWLVVANX-KRWDZBQOSA-N 0 0 451.454 4.524 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001464288188 1068692143 /nfs/dbraw/zinc/69/21/43/1068692143.db2.gz KMJCJRVHRBGFFM-AWEZNQCLSA-N 0 0 452.294 4.538 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC001464290309 1068692874 /nfs/dbraw/zinc/69/28/74/1068692874.db2.gz PDMWMGDFXWMEBG-AWEZNQCLSA-N 0 0 456.442 4.917 20 5 JJBDRN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464291980 1068694230 /nfs/dbraw/zinc/69/42/30/1068694230.db2.gz RZAZBDBHACBAED-OFNKIYASSA-N 0 0 454.523 4.689 20 5 JJBDRN O=C(OCC[C@@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001464292036 1068694239 /nfs/dbraw/zinc/69/42/39/1068694239.db2.gz SKSKGUBVPVYWMK-GHTZIAJQSA-N 0 0 454.548 4.802 20 5 JJBDRN CC(C)c1[nH]nc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)c1[N+](=O)[O-] ZINC001464297033 1068695627 /nfs/dbraw/zinc/69/56/27/1068695627.db2.gz LALIHCACRWUGAO-UHFFFAOYSA-N 0 0 450.318 4.503 20 5 JJBDRN CCON([C@H](C)c1cccc(Br)c1)S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001464326966 1068707211 /nfs/dbraw/zinc/70/72/11/1068707211.db2.gz BDMJLKRCXPZJTF-CYBMUJFWSA-N 0 0 457.346 4.623 20 5 JJBDRN CC(C)(C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001464434720 1068743976 /nfs/dbraw/zinc/74/39/76/1068743976.db2.gz IBIDPKZWWNBZEG-GOSISDBHSA-N 0 0 459.502 4.586 20 5 JJBDRN O=C(CCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC001464526557 1068773334 /nfs/dbraw/zinc/77/33/34/1068773334.db2.gz NWYBHGUHZXSYPN-UHFFFAOYSA-N 0 0 457.530 4.569 20 5 JJBDRN C[C@H](Nc1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001464596230 1068794376 /nfs/dbraw/zinc/79/43/76/1068794376.db2.gz AXNQKOHHOSRJNI-KRWDZBQOSA-N 0 0 458.522 4.744 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2 ZINC001164663920 719348473 /nfs/dbraw/zinc/34/84/73/719348473.db2.gz PCFGGSQURSOXPO-UHFFFAOYSA-N 0 0 466.973 4.646 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164664131 719349509 /nfs/dbraw/zinc/34/95/09/719349509.db2.gz SBBQYJUVCUVMSC-UHFFFAOYSA-N 0 0 468.561 4.838 20 5 JJBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164659511 719354274 /nfs/dbraw/zinc/35/42/74/719354274.db2.gz PTFLUJYZOOUEKL-UHFFFAOYSA-N 0 0 495.587 4.747 20 5 JJBDRN CCc1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164677560 719524866 /nfs/dbraw/zinc/52/48/66/719524866.db2.gz FVADGMQTELYDNV-UHFFFAOYSA-N 0 0 491.567 4.625 20 5 JJBDRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CCC[C@]12CCC(=O)N2 ZINC001164849980 720759621 /nfs/dbraw/zinc/75/96/21/720759621.db2.gz VHMWTDCVXNZHOS-NQIIRXRSSA-N 0 0 464.900 4.883 20 5 JJBDRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)N1c1ccsc1 ZINC001164882807 721359857 /nfs/dbraw/zinc/35/98/57/721359857.db2.gz LHEURPSJNDJTQR-QZTJIDSGSA-N 0 0 491.907 4.696 20 5 JJBDRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)N1c1ccsc1 ZINC001164882799 721360296 /nfs/dbraw/zinc/36/02/96/721360296.db2.gz LCCFRCLSZXJNIU-ROUUACIJSA-N 0 0 491.907 4.696 20 5 JJBDRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164902339 721571673 /nfs/dbraw/zinc/57/16/73/721571673.db2.gz KIKAJLFJYPLSHJ-GOSISDBHSA-N 0 0 464.900 4.550 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C[C@@H]2c1ccccc1 ZINC001164913931 721739050 /nfs/dbraw/zinc/73/90/50/721739050.db2.gz ZNMJEOWLTDOYJC-AUSIDOKSSA-N 0 0 499.905 4.610 20 5 JJBDRN O=C1N(c2cccnc2)CC[C@]12CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C[C@H]2c1ccccc1 ZINC001164912640 721740889 /nfs/dbraw/zinc/74/08/89/721740889.db2.gz OZYQPEXLZPTQTF-NZQKXSOJSA-N 0 0 499.905 4.610 20 5 JJBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001164911125 721764105 /nfs/dbraw/zinc/76/41/05/721764105.db2.gz MUFBLYXOUDFEIW-UHFFFAOYSA-N 0 0 490.951 4.888 20 5 JJBDRN CC(C)(C)OC(=O)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001165050774 721994076 /nfs/dbraw/zinc/99/40/76/721994076.db2.gz AODBFVRERIUDBN-CQSZACIVSA-N 0 0 468.888 4.808 20 5 JJBDRN