smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1ccccc1 514389800 NBCRRZFBTQONHG-NRFANRHFSA-N 501.381 4.028 5 20 KIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(CCC2=CCCCC2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 514297095 XAMBVRGHFUVYRK-UHFFFAOYSA-N 650.758 4.120 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N[C@H](c3ccccc3)c3ccco3)CC2)c([N+](=O)[O-])c1 514388045 TZMRVSIZKFHPNM-AREMUKBSSA-N 540.642 4.341 5 20 KIBD C[C@@H](Sc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514393595 GRACAOITYACEPZ-ZBFHGGJFSA-N 528.557 4.494 5 20 KIBD CN(Cc1nc2ccccc2s1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514384768 WMPJTSFFKWSVCJ-UHFFFAOYSA-N 557.698 4.254 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CC2)c([N+](=O)[O-])c1 514390304 FNVBYCKFFGDKDN-IBVKSMDESA-N 520.696 4.269 5 20 KIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2)cc1[N+](=O)[O-] 514404064 XLPWUDZONWKNJN-FQEVSTJZSA-N 538.630 4.042 5 20 KIBD C[C@H](Sc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514393593 GRACAOITYACEPZ-GOEBONIOSA-N 528.557 4.494 5 20 KIBD COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514296064 OOOSXZNVMLTQNA-UHFFFAOYSA-N 558.682 4.415 5 20 KIBD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 514301344 XZTQJDWQKCAMMG-UHFFFAOYSA-N 541.630 4.282 5 20 KIBD COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 514293352 PPAHZPYFWIGHIS-UHFFFAOYSA-N 614.746 4.131 5 20 KIBD Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C 514383999 OPVQRJUKRZMZEH-DEOSSOPVSA-N 519.602 4.333 5 20 KIBD Cc1nc2cc(NC(=O)C3CCN(c4ccc(S(=O)(=O)N5CCCCC5)cc4[N+](=O)[O-])CC3)ccc2o1 514300692 QJHARXGXVJNWMF-UHFFFAOYSA-N 527.603 4.074 5 20 KIBD CC(C)OC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1[N+](=O)[O-] 514389949 SKZILRBCGKVELC-NRFANRHFSA-N 571.574 4.214 5 20 KIBD O=C(Nc1nc(-c2ccccn2)cs1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514294766 AWEULVXVECEDKG-UHFFFAOYSA-N 556.670 4.143 5 20 KIBD CCc1cccc(C)c1NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 514377760 IDDHHALCZUQKAD-UHFFFAOYSA-N 502.637 4.351 5 20 KIBD CC[C@@H](c1nnc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1CCN1CCOCC1)N(C)C 514375718 UJDCUHSMPCFPIX-ZCYQVOJMSA-N 567.716 4.312 5 20 KIBD O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 514300241 MJDJNMMWJHLXMT-UHFFFAOYSA-N 611.643 4.090 5 20 KIBD COCCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514294867 CKAWJLCODSTLMS-SFHVURJKSA-N 544.655 4.432 5 20 KIBD COc1ccc(-c2noc(CN3CCN(C(=O)C4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)CC3)n2)cc1 514394130 QMHQBPMQWWBDEM-UHFFFAOYSA-N 574.560 4.233 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)CC2)c([N+](=O)[O-])c1 514302706 QQUZVXLGCKWVIC-UHFFFAOYSA-N 584.642 4.110 5 20 KIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 514402847 GAZZTRQJXWOYHD-UHFFFAOYSA-N 574.703 4.195 5 20 KIBD O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514378708 VNTKKQWSXXBAAW-UHFFFAOYSA-N 530.691 4.071 5 20 KIBD O=C(Nc1ccc(F)c(F)c1F)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514380340 MGGWBZHCKLCGDD-UHFFFAOYSA-N 526.537 4.042 5 20 KIBD O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 514390026 VKOCYGIWALIAAT-SECBINFHSA-N 553.258 4.293 5 20 KIBD O=C(Nc1cccc2ncccc12)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514294935 DZAKQDWAQZDOPE-UHFFFAOYSA-N 523.615 4.173 5 20 KIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)cc1OC 514387775 QRDGBZHERPTOMY-UHFFFAOYSA-N 509.581 4.072 5 20 KIBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2)cc1[N+](=O)[O-] 514404065 XLPWUDZONWKNJN-HXUWFJFHSA-N 538.630 4.042 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 514298635 DFNMJJBJKYDHKM-UHFFFAOYSA-N 529.084 4.215 5 20 KIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)CC1 514377602 BHEOVLTTXCODFF-UHFFFAOYSA-N 612.730 4.452 5 20 KIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)c([N+](=O)[O-])c2)c(C)c1 514394745 RKBMZQBELSACKG-NRFANRHFSA-N 581.699 4.148 5 20 KIBD CCc1c(C)sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n(C[C@@H]3CCCO3)c(=O)c12 514375778 VRYYDXUUTHTORP-HNNXBMFYSA-N 518.617 4.155 5 20 KIBD C[C@H]1CCCN(c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 514382505 NLTZFCAEJJZTHB-SFHVURJKSA-N 533.551 4.246 5 20 KIBD Cc1ccc(C)c(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)c1 514293611 TYQOHSOXBUUXQQ-UHFFFAOYSA-N 500.621 4.241 5 20 KIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)cc1OC 514401124 MZNZRVUEISUSFT-UHFFFAOYSA-N 534.635 4.275 5 20 KIBD CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1S(=O)(=O)N1CCCCC1 514384056 LKQUTCJHDOGYNG-UHFFFAOYSA-N 541.630 4.282 5 20 KIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 514402444 JBQFDZPSQXYODG-UHFFFAOYSA-N 603.519 4.306 5 20 KIBD CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 514300697 QMCVSXPMLGCKLV-UHFFFAOYSA-N 547.578 4.175 5 20 KIBD CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)cc2[N+](=O)[O-])CC1 514402334 OISFNNJFPIJZAN-UHFFFAOYSA-N 511.554 4.174 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 514301078 UPFYUVGIARNHSI-UHFFFAOYSA-N 542.580 4.177 5 20 KIBD CCc1c2c(nc3ccc(OC(=O)N4CCC([N+]5([O-])CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 2048528797 AYOSWHAYDKSFCX-XIFFEERXSA-N 602.688 4.104 5 20 KIBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 514291563 GBWKXNPKCYWACX-OAQYLSRUSA-N 508.604 4.070 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c([N+](=O)[O-])c1 514389824 NUWJPJWVTRMGTN-UHFFFAOYSA-N 592.162 4.276 5 20 KIBD O=C(CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)Nc1cc(Cl)ccc1Cl 514377327 RFAJMWITVNIXHH-UHFFFAOYSA-N 598.509 4.048 5 20 KIBD COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1 514294768 BSSUOJQQUMPVRN-RUZDIDTESA-N 556.685 4.358 5 20 KIBD CC[C@H](c1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1CCN1CCOCC1)N(C)C 514375713 UJDCUHSMPCFPIX-ILBGXUMGSA-N 567.716 4.312 5 20 KIBD Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C 514384003 OPVQRJUKRZMZEH-XMMPIXPASA-N 519.602 4.333 5 20 KIBD C[C@H](Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514394854 UWDLCZKTGUTQCO-VIFPVBQESA-N 536.492 4.151 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)CC2)c([N+](=O)[O-])c1 514388252 MNPFBKFZYAYNPC-UHFFFAOYSA-N 582.727 4.020 5 20 KIBD CCOc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OCC 514390340 GSJALQNSNGTOIN-UHFFFAOYSA-N 511.984 4.085 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 514292366 KQKLYPKTIGHXGU-KRWDZBQOSA-N 532.644 4.020 5 20 KIBD O=C(Nc1ccccc1Br)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514377303 QPYQZCFFCSKTSL-UHFFFAOYSA-N 551.463 4.387 5 20 KIBD COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1 514294769 BSSUOJQQUMPVRN-VWLOTQADSA-N 556.685 4.358 5 20 KIBD Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514299152 AVNCCFQSKMAQHU-UHFFFAOYSA-N 580.711 4.105 5 20 KIBD C[C@@H]1CCCN(c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cc2[N+](=O)[O-])C1 514382504 NLTZFCAEJJZTHB-GOSISDBHSA-N 533.551 4.246 5 20 KIBD CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 514292521 MZQFRSUBAKHSRR-SECBINFHSA-N 509.557 4.203 5 20 KIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2[C@@H](C)COC)c1 514374113 IKXLUWNVXVCNFB-INIZCTEOSA-N 597.119 4.475 5 20 KIBD O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NC1CCN(C(=O)C2CC2)CC1)c1ccccc1 514389801 NBCRRZFBTQONHG-OAQYLSRUSA-N 501.381 4.028 5 20 KIBD O=C(CSc1nnnn1C1CCCCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 514389960 SYWIDTXPXFYLSZ-UHFFFAOYSA-N 520.207 4.342 5 20 KIBD Cc1sc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)nc1-c1ccc(F)cc1 514380997 YULBNOKOSNEZBI-UHFFFAOYSA-N 589.671 4.042 5 20 KIBD O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 514298308 ZWIICDWWWKSDGS-QFIPXVFZSA-N 593.710 4.334 5 20 KIBD COCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514379061 NLTCPPGCHHWVLT-UHFFFAOYSA-N 544.655 4.115 5 20 KIBD CCCn1c(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCC3)ccc21 514390062 WPDNXTIDIXRYGI-HSZRJFAPSA-N 599.710 4.271 5 20 KIBD CCCOc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 514377372 SMDDBXKDUMFMMZ-UHFFFAOYSA-N 518.636 4.269 5 20 KIBD Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 514300012 KTLZZHCRWUSNCF-UHFFFAOYSA-N 511.604 4.192 5 20 KIBD COCCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 514294866 CKAWJLCODSTLMS-GOSISDBHSA-N 544.655 4.432 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 514292367 KQKLYPKTIGHXGU-QGZVFWFLSA-N 532.644 4.020 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])c1 514292164 MHFKKZGEDPDUBJ-UHFFFAOYSA-N 526.562 4.082 5 20 KIBD CC(C)CN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514378120 RXESJYFDYKNHHX-LJQANCHMSA-N 534.617 4.027 5 20 KIBD O=C(N[C@@H](c1ccccc1)c1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514401293 SCDJYTWZKBLTIF-MHZLTWQESA-N 552.653 4.485 5 20 KIBD Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)c([N+](=O)[O-])c2)c(C)c1 514394746 RKBMZQBELSACKG-OAQYLSRUSA-N 581.699 4.148 5 20 KIBD O=C(Nc1ccccc1I)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514294025 VEFUHFTVCZAYCE-UHFFFAOYSA-N 598.463 4.229 5 20 KIBD CCCCN(C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(CCC)c1N 514295568 KTMKUTMTRHMMJA-UHFFFAOYSA-N 518.621 4.212 5 20 KIBD COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCCC2)c([N+](=O)[O-])cc1OC 514303820 ODSJDPCDUREPJS-UHFFFAOYSA-N 546.646 4.419 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)CC2)c([N+](=O)[O-])c1 514377056 KLBWXKRVAJECCD-UHFFFAOYSA-N 624.558 4.010 5 20 KIBD CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCN(c4ccc(S(=O)(=O)N5CCCCC5)cc4[N+](=O)[O-])CC3)n2)s1 514384154 NEJGMWWMVMRMFC-UHFFFAOYSA-N 632.790 4.446 5 20 KIBD O=C(CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1)Nc1ccccc1Cl 514300706 QVRFJXZUCFGCNO-UHFFFAOYSA-N 553.969 4.266 5 20 KIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c(S(=O)(=O)N2CCCC2)c1 514382012 DHMOVMPNPDIEIT-LJQANCHMSA-N 533.607 4.107 5 20 KIBD O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 514298306 ZWIICDWWWKSDGS-JOCHJYFZSA-N 593.710 4.334 5 20 KIBD O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N(Cc1cccs1)C[C@@H]1CCCO1 514382762 DGVASTKRRPHOPA-QFIPXVFZSA-N 576.741 4.255 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 514377631 COZNGGPWALTLJO-UHFFFAOYSA-N 525.027 4.142 5 20 KIBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 514291560 GBWKXNPKCYWACX-NRFANRHFSA-N 508.604 4.070 5 20 KIBD O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)Nc1ccccc1[N+](=O)[O-] 514291292 DRNKROBMPWDUMU-CQSZACIVSA-N 500.602 4.155 5 20 KIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 514301945 IUXKAGCJOCIWRO-HOTGVXAUSA-N 500.581 4.192 5 20 KIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 514301946 IUXKAGCJOCIWRO-HZPDHXFCSA-N 500.581 4.192 5 20 KIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])n2[C@H](C)COC)c1 514374868 ZUDFYAQOLVGBHB-GOSISDBHSA-N 576.701 4.130 5 20 KIBD CCCn1c(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 514381998 CRXHAYBQZIOOCS-UHFFFAOYSA-N 501.609 4.265 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 514294104 YSKKULITZQHFPB-UHFFFAOYSA-N 573.701 4.148 5 20 KIBD CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 514378792 JWXTUVOBEGMARO-UHFFFAOYSA-N 560.658 4.089 5 20 KIBD O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)Nc1ccccc1[N+](=O)[O-] 514291290 DRNKROBMPWDUMU-AWEZNQCLSA-N 500.602 4.155 5 20 KIBD Cc1c(NS(=O)(=O)c2ccc(NCCCOC3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 514385767 UHALYJXPBMHZQA-UHFFFAOYSA-N 543.646 4.345 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 514387874 MYGAOFBIAFIWKF-NRFANRHFSA-N 550.678 4.334 5 20 KIBD CCN(Cc1cccs1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514384127 MALINXLJTVFCGX-UHFFFAOYSA-N 520.677 4.096 5 20 KIBD O=C(Nc1cccc2cnccc12)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514377614 BXNDQPYKDCNFAS-UHFFFAOYSA-N 523.615 4.173 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(Cc3ccco3)CC(F)(F)F)CC2)c([N+](=O)[O-])c1 514302365 DIQAJNRRLUUXQO-UHFFFAOYSA-N 546.568 4.026 5 20 KIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 514402705 LAKJXMMSYHWIGV-INIZCTEOSA-N 535.673 4.420 5 20 KIBD O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 514298022 ZKZKNMISFUJAMT-QHCPKHFHSA-N 602.760 4.395 5 20 KIBD COc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCC[C@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 514301947 IUXKAGCJOCIWRO-JKSUJKDBSA-N 500.581 4.192 5 20 KIBD COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 514380059 DNKOWUMNRAFUSF-UHFFFAOYSA-N 521.901 4.315 5 20 KIBD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 514391782 QKRDKXLFLNVDDC-QGZVFWFLSA-N 529.550 4.064 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)c([N+](=O)[O-])c1 514292803 NFDUFJRZHYXXIL-UHFFFAOYSA-N 571.700 4.107 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])c1 514304756 YUHSKPQLOPVKFQ-UHFFFAOYSA-N 554.616 4.102 5 20 KIBD COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 514378640 GMINZNQVTCPCCP-UHFFFAOYSA-N 516.620 4.023 5 20 KIBD CC(C)OCCCn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nc2ccccc2c1=O 514391048 FHCLLTAQSNBKOK-UHFFFAOYSA-N 528.587 4.012 5 20 KIBD O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 514391781 QKRDKXLFLNVDDC-KRWDZBQOSA-N 529.550 4.064 5 20 KIBD COc1ccc(-c2nc(CN3CCN(C(=O)C4CCN(c5ccccc5[N+](=O)[O-])CC4)CC3)cs2)cc1 514394799 SURFXHRBOXGHMG-UHFFFAOYSA-N 521.643 4.288 5 20 KIBD O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514296238 ITEDRBICQANZLM-UHFFFAOYSA-N 525.002 4.417 5 20 KIBD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cc1 514302040 LFPPCNJCPMKFNP-UHFFFAOYSA-N 554.591 4.108 5 20 KIBD CCCn1c(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCC3)ccc21 514390063 WPDNXTIDIXRYGI-QHCPKHFHSA-N 599.710 4.271 5 20 KIBD CC[C@H](c1nnc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1CCN1CCOCC1)N(C)C 514375716 UJDCUHSMPCFPIX-NOZRDPDXSA-N 567.716 4.312 5 20 KIBD NC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 514394717 ZUGGQTKGCWPVDI-UHFFFAOYSA-N 505.497 4.168 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c([N+](=O)[O-])c1 514294245 YKEMVHVNJZWTQJ-UHFFFAOYSA-N 502.637 4.406 5 20 KIBD COCCCN(C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514402496 AFTBJRALIHXJAD-UHFFFAOYSA-N 555.657 4.309 5 20 KIBD CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)n2C)cc1 514391397 IJDBRYQMMRGCQT-UHFFFAOYSA-N 512.592 4.129 5 20 KIBD CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1S(=O)(=O)N(CC)CC 514301368 YIYYIYQSVXLWRM-UHFFFAOYSA-N 529.619 4.138 5 20 KIBD O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1cccs1 514378001 BKZRFKDLSCFOQC-QFIPXVFZSA-N 532.688 4.411 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N[C@@H](c3ccccc3)c3ccco3)CC2)c([N+](=O)[O-])c1 514388046 TZMRVSIZKFHPNM-SANMLTNESA-N 540.642 4.341 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 514301373 YRESJZNLNZIUMQ-NRFANRHFSA-N 564.730 4.111 5 20 KIBD O=C(Nc1nc(-c2ccc[nH]2)cs1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514401314 SXWVKNNUJCACDY-UHFFFAOYSA-N 544.659 4.076 5 20 KIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 514380848 VSRLQZXWZGPEKH-IRXDYDNUSA-N 533.653 4.164 5 20 KIBD CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)nc1=O 514294764 BRZNWSGROMOMQI-UHFFFAOYSA-N 554.570 4.164 5 20 KIBD O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 514390027 VKOCYGIWALIAAT-VIFPVBQESA-N 553.258 4.293 5 20 KIBD O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1cccs1 514378000 BKZRFKDLSCFOQC-JOCHJYFZSA-N 532.688 4.411 5 20 KIBD COc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCC[C@@H](C)C3)n2Cc2ccco2)c([N+](=O)[O-])c1 514301944 IUXKAGCJOCIWRO-CVEARBPZSA-N 500.581 4.192 5 20 KIBD O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 514298019 ZKZKNMISFUJAMT-HSZRJFAPSA-N 602.760 4.395 5 20 KIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 514380846 VSRLQZXWZGPEKH-DLBZAZTESA-N 533.653 4.164 5 20 KIBD O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 514298003 YYTSSRAUAUKLPF-UHFFFAOYSA-N 560.982 4.017 5 20 KIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 514380849 VSRLQZXWZGPEKH-SJORKVTESA-N 533.653 4.164 5 20 KIBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1 514402706 LAKJXMMSYHWIGV-MRXNPFEDSA-N 535.673 4.420 5 20 KIBD C[C@H](Sc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514393594 GRACAOITYACEPZ-HOCLYGCPSA-N 528.557 4.494 5 20 KIBD Cc1c(NS(=O)(=O)c2ccc(N(C)C3CCC(C)CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 514383888 HKDVQAQOWHMNDS-UHFFFAOYSA-N 513.620 4.208 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 514380625 QNCZFEJGMYGGIN-UHFFFAOYSA-N 504.609 4.265 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3SC)CC2)c([N+](=O)[O-])c1 514376409 LCTXEQJVFWXWEX-UHFFFAOYSA-N 506.650 4.202 5 20 KIBD C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514299392 DYFBHBXIQARSJQ-ZDUSSCGKSA-N 518.539 4.303 5 20 KIBD O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c(S(=O)(=O)N2CCCC2)c1 514382010 DHMOVMPNPDIEIT-IBGZPJMESA-N 533.607 4.107 5 20 KIBD Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)c1C 514382367 LCUFNEILHMGJLS-UHFFFAOYSA-N 547.578 4.230 5 20 KIBD C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514299386 DYFBHBXIQARSJQ-CYBMUJFWSA-N 518.539 4.303 5 20 KIBD O=C(N[C@H](c1ccccc1)c1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514401292 SCDJYTWZKBLTIF-HHHXNRCGSA-N 552.653 4.485 5 20 KIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])n2[C@@H](C)COC)c1 514374869 ZUDFYAQOLVGBHB-SFHVURJKSA-N 576.701 4.130 5 20 KIBD O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 508386180 GAMKVGBIMWEGIR-UHFFFAOYSA-N 500.002 4.190 5 20 KIBD O=C(Nc1ccccc1Cl)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514293501 RFIPATODPSVUCX-UHFFFAOYSA-N 507.012 4.278 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 514301374 YRESJZNLNZIUMQ-OAQYLSRUSA-N 564.730 4.111 5 20 KIBD CC[C@@H](c1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1CCN1CCOCC1)N(C)C 514375717 UJDCUHSMPCFPIX-UKILVPOCSA-N 567.716 4.312 5 20 KIBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 514292238 JBCNOTSDJWCOLE-UHFFFAOYSA-N 503.911 4.197 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)c([N+](=O)[O-])c1 514393263 UWKFIQOSYTYXPB-UHFFFAOYSA-N 576.075 4.215 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(N4CCCC4)cc3C)CC2)c([N+](=O)[O-])c1 514377599 BCCQRNSKUZMYAY-UHFFFAOYSA-N 543.690 4.389 5 20 KIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2[C@H](C)COC)c1 514374114 IKXLUWNVXVCNFB-MRXNPFEDSA-N 597.119 4.475 5 20 KIBD COc1cc(OC)c(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1Cl 514378718 IEVBNAROXVQATO-UHFFFAOYSA-N 567.064 4.295 5 20 KIBD O=C(Nc1ccccc1OC(F)F)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514294052 XRVLFGFQFZRCAN-UHFFFAOYSA-N 538.573 4.226 5 20 KIBD COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 514382104 GMBXDJAUUYPVBX-UHFFFAOYSA-N 521.901 4.315 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cccc(SC)c3)CC2)c([N+](=O)[O-])c1 514377628 CKCRILAOJVCMAL-UHFFFAOYSA-N 506.650 4.202 5 20 KIBD COc1cc(CCNC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c([N+](=O)[O-])cc1OC 514387004 CGGBLDWUVORHKQ-UHFFFAOYSA-N 532.644 4.183 5 20 KIBD CCc1c(C)sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n(C[C@H]3CCCO3)c(=O)c12 514375779 VRYYDXUUTHTORP-OAHLLOKOSA-N 518.617 4.155 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)CC2)c([N+](=O)[O-])c1 514292200 IBUTVGDDFDECBZ-UHFFFAOYSA-N 545.662 4.075 5 20 KIBD COc1ccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 514301098 VTHGDNBVBZNLNA-UHFFFAOYSA-N 594.690 4.074 5 20 KIBD Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514402144 GKRLCEFUIXNQMY-UHFFFAOYSA-N 636.569 4.154 5 20 KIBD CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1[N+](=O)[O-] 514389950 SKZILRBCGKVELC-OAQYLSRUSA-N 571.574 4.214 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 514384977 WAFPMCRTUUWWCK-GFCCVEGCSA-N 506.528 4.158 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)CC2)c([N+](=O)[O-])c1 514380286 LCHVMTKWRUFWIC-UHFFFAOYSA-N 595.726 4.465 5 20 KIBD O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 514377302 QNNCQUHCAMTNIN-UHFFFAOYSA-N 588.612 4.236 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 514384980 WAFPMCRTUUWWCK-LBPRGKRZSA-N 506.528 4.158 5 20 KIBD O=C(NCCCN1CCCCCC1=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 514296895 RTEOSNCMXWWRAC-UHFFFAOYSA-N 560.698 4.053 5 20 KIBD O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 514377956 QEPQORUGLOVIOW-UHFFFAOYSA-N 640.559 4.431 5 20 KIBD C[C@@H](Sc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514393592 GRACAOITYACEPZ-GDBMZVCRSA-N 528.557 4.494 5 20 KIBD C[C@@H](Sc1nc(C2CC2)nc2c1c(O)nc(=O)n2C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 514394853 UWDLCZKTGUTQCO-SECBINFHSA-N 536.492 4.151 5 20 KIBD CCCCCN(C(=O)CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(O)nc(=O)n(CCCC)c1N 514378081 QWRZKHHPPMRWOM-UHFFFAOYSA-N 571.660 4.305 5 20 KIBD CCOc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c([N+](=O)[O-])cc1OCC 514391043 FCJVPKCTQVCVEG-UHFFFAOYSA-N 505.593 4.048 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 514380709 UKYFJJGQYWPTFO-HNNXBMFYSA-N 523.662 4.276 5 20 KIBD CC(C)C(=O)Nc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1 514376784 GPLCGYKPIBEVAJ-UHFFFAOYSA-N 557.673 4.219 5 20 KIBD CC(C)CN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514378119 RXESJYFDYKNHHX-IBGZPJMESA-N 534.617 4.027 5 20 KIBD O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N(Cc1cccs1)C[C@H]1CCCO1 514382761 DGVASTKRRPHOPA-JOCHJYFZSA-N 576.741 4.255 5 20 KIBD CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2CC(C)C)c1 514294319 WGGAZYOARFVULQ-UHFFFAOYSA-N 546.675 4.271 5 20 KIBD CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(CC)CC)cc1OC 514387774 QQIUMBQYDZSVOB-UHFFFAOYSA-N 522.624 4.131 5 20 KIBD CN(Cc1ccc(Cl)s1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514382793 VVDSTWSMNYNTQT-UHFFFAOYSA-N 541.095 4.359 5 20 KIBD CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 514292526 MZQFRSUBAKHSRR-VIFPVBQESA-N 509.557 4.203 5 20 KIBD O=C(c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 514380847 VSRLQZXWZGPEKH-IAGOWNOFSA-N 533.653 4.164 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 514380710 UKYFJJGQYWPTFO-OAHLLOKOSA-N 523.662 4.276 5 20 KIBD CCCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)nnc12 514392216 VSXICFREIUCPJA-UHFFFAOYSA-N 538.586 4.035 5 20 KIBD O=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 514377250 OXXGBLRRLHOZBN-UHFFFAOYSA-N 538.573 4.226 5 20 KIBD O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1N1CCOCC1 514377708 GCUPDXQZAXNJQF-UHFFFAOYSA-N 526.537 4.018 5 20 KIBD CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 514387877 MYGAOFBIAFIWKF-OAQYLSRUSA-N 550.678 4.334 5 20 KIBD