smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc([N+](=O)[O-])c(Sc2nc3ccccc3n2C)n1Cc1ccccc1 854055 AKWCXJOKMHJPSJ-UHFFFAOYSA-N 379.445 4.186 5 50 GIBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 1173655 BZRARMIOJISRQV-UHFFFAOYSA-N 393.852 4.162 5 50 GIBA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc([N+](=O)[O-])o1 830408 ONYFOPKBVRHIGQ-UHFFFAOYSA-N 376.324 4.214 5 50 GIBA O=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 819798 AZWAWTUGHBLGOR-UHFFFAOYSA-N 378.340 4.338 5 50 GIBA biogenic O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2ccccc2oc1=O 1057033 KTLTZGODNQXBNU-UHFFFAOYSA-N 393.380 4.077 5 50 GIBA CCOc1ccccc1-c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)o1 2886178 XDUXLYMGCJXAKT-UHFFFAOYSA-N 385.401 4.019 5 50 GIBA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2053745 ZFGRJOXROYABKT-UHFFFAOYSA-N 393.852 4.164 5 50 GIBA Cc1cc(C(F)F)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)c12 6400161 FSHIDQOEXWYTTC-UHFFFAOYSA-N 378.360 4.285 5 50 GIBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 1116360 LIZJXHCWCYYFRD-UHFFFAOYSA-N 381.413 4.469 5 50 GIBA O=C(Nc1cccc(Cl)c1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 17147488 ZTNRHEHQHSKJIB-UHFFFAOYSA-N 389.824 4.335 5 50 GIBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 2145038 BQDSRNJCSJDYIE-UHFFFAOYSA-N 391.424 4.040 5 50 GIBA O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-] 2835752 CVPOKWPARGNDDD-UHFFFAOYSA-N 390.421 4.130 5 50 GIBA CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H](F)c1ccccc1 769433234 AQTISYRZIWUOBF-GOSISDBHSA-N 398.394 4.093 5 50 GIBA COc1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 4866853 OJTVVDCJRSESFP-UHFFFAOYSA-N 391.379 4.096 5 50 GIBA O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(Cc4ccccc4)CC3)o2)c1 4986826 ZYZREHLXVQOLSN-UHFFFAOYSA-N 377.444 4.173 5 50 GIBA C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc(-n2cncn2)c1 225438970 ORZDFGSUQNELKU-MRXNPFEDSA-N 393.450 4.460 5 50 GIBA CCOc1cc(C=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1206981 WAYBFKKUFWRQJX-UHFFFAOYSA-N 380.194 4.148 5 50 GIBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccc3ccccc3c12 5592849 BNXQRRMUTYVDJP-UHFFFAOYSA-N 388.379 4.408 5 50 GIBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 1174091 MPVKZMVSLFJNKC-UHFFFAOYSA-N 393.852 4.082 5 50 GIBA COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 1185597 QZWBYULHCUXIAG-UHFFFAOYSA-N 385.601 4.272 5 50 GIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccncc1 2846491 GSRMRPSHSNFUSE-UHFFFAOYSA-N 385.383 4.095 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1N[C@@H](NC(=O)c1cccs1)C(=O)c1ccccc1 4321253 ZSXIIHJWIRVOAC-IBGZPJMESA-N 395.440 4.016 5 50 GIBA O=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 4809638 MRALWYHQBGJNBG-AWEZNQCLSA-N 376.796 4.058 5 50 GIBA CCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(OC)c2ccccc2oc1=O 753761 JGFRWAOCRVYMMX-KRWDZBQOSA-N 381.384 4.211 5 50 GIBA CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC 245296160 KZUFRLKJCLWSAW-MZLICYQSSA-N 390.544 4.440 5 50 GIBA biogenic CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC 252461154 KZUFRLKJCLWSAW-REHUZNOOSA-N 390.544 4.440 5 50 GIBA biogenic COc1ccc(CCN/C(C)=C/c2oc3ccc(O)cc3c2[N+](=O)[O-])cc1OC 100648828 XDPNLBPFZPQMPY-JLHYYAGUSA-N 398.415 4.257 5 50 GIBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C=C[C@H]2C1=C1CCCCC1 169620737 YRDPOYBSICWRKN-LSOMNZGLSA-N 398.846 4.430 5 50 GIBA CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4459615 FYYGSYZWKGUACA-AWNIVKPZSA-N 393.487 4.254 5 50 GIBA Cc1c([N+](=O)[O-])ccc2cc(C(=O)NC[C@H](O)c3cccc4ccccc34)[nH]c12 2325862423 TXTDTKBKSVXKMR-FQEVSTJZSA-N 389.411 4.001 5 50 GIBA Cn1ncc2c(-c3cc4ccccc4nc3O)c3oc4cc(O)ccc4c3nc21 253623637 COFRHTLPJAGSKS-UHFFFAOYSA-N 382.379 4.494 5 50 GIBA biogenic COc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1OC 1184246 WITGLBBPNJECOR-UHFFFAOYSA-N 399.428 4.296 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] 1158193 RLLAGTOOYLLIGJ-UHFFFAOYSA-N 379.210 4.317 5 50 GIBA CCN1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2[C@@]1(O)c1ccccc1 2149525 LPFQMSKRAJNKOH-NRFANRHFSA-N 391.383 4.203 5 50 GIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)C(C)C 1120823 NXWIEVDUQFDJTE-UHFFFAOYSA-N 391.811 4.104 5 50 GIBA O=C(Nc1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1)c1ccccc1 1136250 MVOHNUGTNPIJCO-UHFFFAOYSA-N 376.368 4.204 5 50 GIBA O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 1183930 SQQNZCSRZKXHGN-UHFFFAOYSA-N 389.411 4.418 5 50 GIBA Cc1ccc(O)c(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 1209724 HXUVOJRJAWUJRW-UHFFFAOYSA-N 390.351 4.202 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Br 5102766 NYOMHKURZLZAPQ-UHFFFAOYSA-N 383.173 4.147 5 50 GIBA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 100503679 FUONGWBTJSAQBD-HDICACEKSA-N 382.441 4.426 5 50 GIBA [O-][n+]1c2ccccc2nc2cc3nc(-c4cccc(Br)c4)[nH]c3cc21 5297355 AEVMFFPIXFFOGI-UHFFFAOYSA-N 391.228 4.327 5 50 GIBA O=C(c1c[nH]c2ccc(Br)cc12)N1CCc2cc([N+](=O)[O-])ccc21 4772569 ULSLMYYUNIRYGS-UHFFFAOYSA-N 386.205 4.042 5 50 GIBA Cc1cc([N+](=O)[O-])c(Sc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 104103914 DUPHVEJXQABSJZ-UHFFFAOYSA-N 394.321 4.087 5 50 GIBA COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 1170829 UCRSSYZXBOCTCR-IZZDOVSWSA-N 395.440 4.303 5 50 GIBA Cc1ccc(-c2cc(C(=O)NCCSc3ccc([N+](=O)[O-])cc3)no2)cc1 1857800586 IAEBUVCEVSBMKF-UHFFFAOYSA-N 383.429 4.080 5 50 GIBA CN(C(=O)c1ccc([N+](=O)[O-])c(N)n1)[C@H](c1ccc(Cl)cc1)C1CCCC1 225610148 DXCSPSRNKVWLGE-KRWDZBQOSA-N 388.855 4.229 5 50 GIBA O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 242273535 YDNKHVHNBLVRDD-CQSZACIVSA-N 399.453 4.415 5 50 GIBA COc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1[N+](=O)[O-] 1157583 OQGJUZFMVLXDBU-UHFFFAOYSA-N 390.355 4.059 5 50 GIBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(C(F)(F)F)c1 12655248 XJBMXIDOMRAJNL-UHFFFAOYSA-N 396.350 4.221 5 50 GIBA O=C(/C=C/c1ccccc1)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 1886948 RZRXUTXUUUHLFF-DHZHZOJOSA-N 398.469 4.391 5 50 GIBA Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)cc1[N+](=O)[O-] 170649891 SZZMBPDUJBQAHV-CQSZACIVSA-N 389.887 4.259 5 50 GIBA O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ncncc12 1875328655 FVGUTYNCPRRPKF-UHFFFAOYSA-N 378.819 4.184 5 50 GIBA O=C(Nc1cccc(Cl)c1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 4809640 MRALWYHQBGJNBG-CQSZACIVSA-N 376.796 4.058 5 50 GIBA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1n[nH]cc1[N+](=O)[O-] 6448021 UKJRERQCXVBFAQ-UHFFFAOYSA-N 384.204 4.001 5 50 GIBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1Cl 241124223 JGMFKOMZQVRNAD-VQIMIIECSA-N 385.851 4.005 5 50 GIBA CC(C)c1ccc(COc2cc(Br)cnc2C=O)cc1[N+](=O)[O-] 2325899756 VHZGBCBTBHEDNG-UHFFFAOYSA-N 379.210 4.267 5 50 GIBA COc1cc(CNc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC 1029245 YRVDBCFZHUFWAQ-UHFFFAOYSA-N 381.226 4.295 5 50 GIBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](C)C2 993965 DYOORSZMAMVOMD-JTQLQIEISA-N 388.445 4.128 5 50 GIBA Cc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 959338 NGUSHGYVPVMCOB-UHFFFAOYSA-N 383.429 4.353 5 50 GIBA O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc(OCc2ccccc2)cc1 1916539 ASWPRUDHXFVSEF-UHFFFAOYSA-N 379.368 4.158 5 50 GIBA CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1OC 252461152 KZUFRLKJCLWSAW-JXALWOEJSA-N 390.544 4.440 5 50 GIBA biogenic O=c1oc2ccccc2c2ccnc(NC3CCN(Cc4ccccc4)CC3)c12 1776111725 NCAKMLUIQKQVPL-UHFFFAOYSA-N 385.467 4.418 5 50 GIBA O=[N+]([O-])c1ccc(NCc2cnn(Cc3ccccc3)c2)c(Br)c1 170624796 RRTYJRIZOVKGOJ-UHFFFAOYSA-N 387.237 4.214 5 50 GIBA CCc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1 2848378 GEKXTCLBWQODHC-UHFFFAOYSA-N 378.797 4.174 5 50 GIBA O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1[N+](=O)[O-] 4810391 GSEXQVXATYSCPO-UHFFFAOYSA-N 386.795 4.260 5 50 GIBA Cc1cc(C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)ccc1[N+](=O)[O-] 959528 ZSKWMQGFMLDNSL-UHFFFAOYSA-N 391.379 4.479 5 50 GIBA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 1161249 GIFOIBRZDVABJR-UHFFFAOYSA-N 389.839 4.499 5 50 GIBA COc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1 4985707 INCKCAMZGGCXDK-UHFFFAOYSA-N 378.384 4.435 5 50 GIBA COc1cc2c(cc1OC)C(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)=NCC2 1453174 NHLPZGQQHRVIGF-UHFFFAOYSA-N 378.384 4.266 5 50 GIBA biogenic CCC(=O)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)oc1ccccc12 753962 BTXUVNAGZMGJGB-UHFFFAOYSA-N 379.803 4.405 5 50 GIBA CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1057447 AGXVLSZCQWYXMG-UHFFFAOYSA-N 375.384 4.124 5 50 GIBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccc(Cl)cc3)nn21 1447502 IGTLSEYWUYZBDQ-AWEZNQCLSA-N 386.820 4.384 5 50 GIBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3ccccc3)CC2)o1 4986786 MBXDBRHPYUIHHJ-UHFFFAOYSA-N 377.444 4.173 5 50 GIBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)cc1 912901 GGQUTLXDKGRPMX-UHFFFAOYSA-N 388.376 4.327 5 50 GIBA Cc1cccc(Cn2cnc3scc(-c4cccc([N+](=O)[O-])c4)c3c2=O)c1 951898 NBLCJKXJYUGVIA-UHFFFAOYSA-N 377.425 4.390 5 50 GIBA O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1[N+](=O)[O-] 1131553 NTWSYUIFIDIHJH-UHFFFAOYSA-N 393.790 4.234 5 50 GIBA CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2cc(F)c([N+](=O)[O-])cc12 169748324 PRHSJEPACCEZEF-UHFFFAOYSA-N 378.722 4.154 5 50 GIBA Cc1ccccc1CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 2845415 OCCHAZXSSVHBBJ-UHFFFAOYSA-N 386.458 4.299 5 50 GIBA CCOc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 4372129 CJRFSOSIYOFRAO-UHFFFAOYSA-N 390.339 4.031 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)cccc1[N+](=O)[O-] 1181032 TVUWJVAWHICSSY-UHFFFAOYSA-N 387.461 4.033 5 50 GIBA Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Br)c1 1218864 DFEDCMLIQFFMDM-UHFFFAOYSA-N 390.193 4.295 5 50 GIBA Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 4042289 JHHXFPUOHYMWFP-UHFFFAOYSA-N 393.237 4.463 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 4368225 XVCAWBJNWONTKW-LBPRGKRZSA-N 378.812 4.280 5 50 GIBA CCCCCC(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1787063 DCGQECDXZBESQM-ZDUSSCGKSA-N 382.675 4.400 5 50 GIBA COc1ccc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1F 1172767 PAQBOGURLWTHIK-FARCUNLSSA-N 395.184 4.157 5 50 GIBA Cc1nc(S(=O)(=O)c2ccccc2)c(SCc2ccc([N+](=O)[O-])cc2)o1 950628 SDFIXWMNWDJYHH-UHFFFAOYSA-N 390.442 4.016 5 50 GIBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 2736928 KJACKDVNYFILQV-UHFFFAOYSA-N 388.445 4.354 5 50 GIBA CCOc1ccc2c(c1[N+](=O)[O-])/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2 4594565 PZZKSRRVUISBRV-LUAWRHEFSA-N 380.571 4.250 5 50 GIBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(Br)cc1 5063854 KKEQKRUXKIVNBG-KRWDZBQOSA-N 388.221 4.055 5 50 GIBA c1cnc2c(c1)ccc1c(NC[C@@H]3CC[C@H](c4n[nH]c(C5CC5)n4)O3)ccnc12 2325780591 XZSFDGBOYYFBNQ-MAUKXSAKSA-N 386.459 4.111 5 50 GIBA Cc1cccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)c1 4810846 SFVAMZZQYNUDGV-UHFFFAOYSA-N 394.431 4.312 5 50 GIBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 4650881 JRURHCRZVMHPIS-AEFFLSMTSA-N 385.851 4.005 5 50 GIBA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] 1053830 RPKVPXWOEUHOKN-UHFFFAOYSA-N 394.258 4.172 5 50 GIBA CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC 1085856 HKPKJBTWVAIYTP-UHFFFAOYSA-N 392.839 4.018 5 50 GIBA CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1cccc(Cl)c1 1141506 QHKPMWAKKDXAJW-UHFFFAOYSA-N 388.836 4.490 5 50 GIBA O=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 1142246 LCIVMFGLHAXYIK-UHFFFAOYSA-N 385.763 4.346 5 50 GIBA CN(C(=O)c1ccc([N+](=O)[O-])c(N)n1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 225610175 DXCSPSRNKVWLGE-QGZVFWFLSA-N 388.855 4.229 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934668 JXWSNHYPEGXEPV-LLVKDONJSA-N 379.210 4.072 5 50 GIBA O=C(NCCc1c[nH]c2ccccc12)c1cc2c(ccc3ccccc32)oc1=O 1159092 RUMGYKSNZWGEIS-UHFFFAOYSA-N 382.419 4.400 5 50 GIBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 1196561 FHVOBSMTCMGEQL-UHFFFAOYSA-N 388.376 4.327 5 50 GIBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](C)C2 993966 DYOORSZMAMVOMD-SNVBAGLBSA-N 388.445 4.128 5 50 GIBA Cc1ccccc1CSCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 2814838 OXHKEYROTNDRAM-UHFFFAOYSA-N 390.530 4.186 5 50 GIBA Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c(C)c1Cl 657070 HBNOFDBVCZEUHI-UHFFFAOYSA-N 392.774 4.094 5 50 GIBA COc1cc2c(cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])oc1ccccc12 4889215 BENBONIYTWJQTA-UHFFFAOYSA-N 398.396 4.304 5 50 GIBA Cc1ccc(NC(=O)OCCOc2ccc(Br)cc2)cc1[N+](=O)[O-] 1753491 GNVDKJQZWSCTDD-UHFFFAOYSA-N 395.209 4.293 5 50 GIBA CCOC(=O)c1cc(C(C)C)sc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2795147 MFFAOYBOFLPYDK-UHFFFAOYSA-N 376.434 4.138 5 50 GIBA C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1c1cccs1 252452756 ADMMBRJCOLZJRW-ABAIWWIYSA-N 379.869 4.474 5 50 GIBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 242389369 ZWPITZQYCQDRCF-VQIMIIECSA-N 385.851 4.005 5 50 GIBA O=C1c2ccccc2C(=O)N1CCn1c2ccccc2c2nc3ccccc3nc21 1023658 HCOMDRFOFXIBNB-UHFFFAOYSA-N 392.418 4.034 5 50 GIBA CNc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1[N+](=O)[O-] 4821347 PJZLCZMLIUGEGT-UHFFFAOYSA-N 383.379 4.211 5 50 GIBA Cc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 671685 WISMLHAZUUNLPR-UHFFFAOYSA-N 389.407 4.461 5 50 GIBA Cn1c(Cc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1C(F)(F)F 1084507 NOSQHDWHCHJZNX-UHFFFAOYSA-N 394.378 4.484 5 50 GIBA COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 1225274 UXLZBDSSLOPHET-UHFFFAOYSA-N 393.443 4.186 5 50 GIBA O=[N+]([O-])c1cccc(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2cccc([N+](=O)[O-])c2)c1 5042916 RGRTYFKGIAIUIH-LQFRORHJSA-N 378.388 4.387 5 50 GIBA COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC 984872 FCHXBLRWBSVJJK-UHFFFAOYSA-N 398.459 4.244 5 50 GIBA CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc(C)c1CC 669441 OJZGYIBQSMZCOW-MDZDMXLPSA-N 388.445 4.356 5 50 GIBA O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1Cl 1780567 HWVHSNWZSQQDIA-UHFFFAOYSA-N 399.211 4.218 5 50 GIBA COc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 4984047 JNHWRTXSEDBBNG-UHFFFAOYSA-N 377.400 4.468 5 50 GIBA C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@]12CCC[C@@H]3C[C@@H](C[C@H]31)C2 248139096 PSYKYYSSRDXQRT-SJWLEXSCSA-N 398.551 4.363 5 50 GIBA O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)n1nnc2ccccc21 1166950 FOADHBHTIRHGIS-UHFFFAOYSA-N 394.774 4.474 5 50 GIBA O=c1[nH]c(O)nc(/C=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c1[N+](=O)[O-] 32690751 FKVNNHZLWHYALF-DJWKRKHSSA-N 394.170 4.121 5 50 GIBA CCN1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2[C@]1(O)c1ccccc1 4529603 LPFQMSKRAJNKOH-OAQYLSRUSA-N 391.383 4.203 5 50 GIBA Cc1ccc([N+](=O)[O-])c2ccc(-c3cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c3)nc12 100680652 SPFOJHRQYLFUMN-UHFFFAOYSA-N 397.347 4.001 5 50 GIBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 1085678 CEDVIXXAQHMUTP-UHFFFAOYSA-N 385.335 4.204 5 50 GIBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccccc1C(F)(F)F 2886332 ZONQBNDXGIQLAL-UHFFFAOYSA-N 390.749 4.191 5 50 GIBA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1[N+](=O)[O-] 4840374 LOSGCSXGUCYVCK-UHFFFAOYSA-N 381.432 4.172 5 50 GIBA Cc1ccc(Oc2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc([N+](=O)[O-])c2)cc1 6788488 QGXUPNSFFULARO-KDURUIRLSA-N 380.400 4.375 5 50 GIBA Cc1cccc(C(=O)Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)c1 2836843 SMWDFSIVUFPJDD-UHFFFAOYSA-N 386.458 4.299 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 25558339 JWXUQRHGKNCBNX-OFNKIYASSA-N 399.406 4.347 5 50 GIBA O=[N+]([O-])c1c(Sc2ncnc3ccccc23)cc(Cl)c2nsnc12 1153618 VWJPUJZLTOVMJH-UHFFFAOYSA-N 375.822 4.347 5 50 GIBA CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1059830 XINGSAULAAIMJY-UHFFFAOYSA-N 384.310 4.273 5 50 GIBA COC(=O)c1ccc(COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 4083599 YVSFWAAIBQVHKC-UHFFFAOYSA-N 376.364 4.017 5 50 GIBA biogenic COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 4841485 GYBHQTOCPSDPSY-UHFFFAOYSA-N 376.825 4.204 5 50 GIBA O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 1125505 RSKWFCJZHBELHS-UHFFFAOYSA-N 379.347 4.239 5 50 GIBA CN(C)Cc1ccccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 1875391469 HHPWBPPOLKWZAC-UHFFFAOYSA-N 389.430 4.134 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1cc(C)cc2oc(=O)c3c(c12)CCC3 1152092 QRAZZXKBOHDHKV-UHFFFAOYSA-N 381.384 4.086 5 50 GIBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1[N+](=O)[O-] 4542650 XXLOQURNQQLOFV-UHFFFAOYSA-N 381.344 4.334 5 50 GIBA CCCCc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2852028 OYXSGIBZRCQIMO-JLHYYAGUSA-N 383.473 4.464 5 50 GIBA C[C@H]1C[C@@H](C)CN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)C1 13153886 LYIIIUYETRXFHT-IYBDPMFKSA-N 377.444 4.381 5 50 GIBA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 861249 VQZWEPQOLNLCHS-OAHLLOKOSA-N 392.839 4.002 5 50 GIBA CCOC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)nc1SCc1ccccc1 1162460 FVFTYPFLWPZOMJ-UHFFFAOYSA-N 397.456 4.314 5 50 GIBA Cc1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 5063316 VPZNOORASAFODW-UHFFFAOYSA-N 387.505 4.323 5 50 GIBA COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] 2870242 RCFNTHDJVXCPBQ-UHFFFAOYSA-N 379.210 4.235 5 50 GIBA O=C(Nc1cccc(Cl)c1)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 4983369 HFKOVQXZFGUXMP-HNNXBMFYSA-N 375.812 4.091 5 50 GIBA Cc1cccc(CSCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 2992038 AMYCHEYIZMNTCL-UHFFFAOYSA-N 390.530 4.186 5 50 GIBA Cc1ccc([C@H]2CCCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)o1 170634381 IPAGKVHSTRGKGZ-LJQANCHMSA-N 394.431 4.439 5 50 GIBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 1200352 WGYXOUSGGAWPJE-UHFFFAOYSA-N 388.445 4.354 5 50 GIBA Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cs1 4036428 FYBOFXYYSFLXQS-UHFFFAOYSA-N 389.458 4.136 5 50 GIBA Cc1ccccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 4041252 YHFGRQOFGBAYBJ-UHFFFAOYSA-N 393.237 4.463 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cccc2c(Br)cccc12 4833248 QDDQTZXZSKWDPD-UHFFFAOYSA-N 387.189 4.468 5 50 GIBA CC[C@H](OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 4845874 QMFMUGUBJRNCJL-IBGZPJMESA-N 393.399 4.026 5 50 GIBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 4984071 WOWMJDMVMDZDRD-UHFFFAOYSA-N 379.338 4.466 5 50 GIBA CC[C@H](C)c1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 1148680 QJNRWXHQZWADIY-HOCLYGCPSA-N 381.432 4.100 5 50 GIBA COc1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 4748574 RMZFIHHNCCIWJY-UHFFFAOYSA-N 391.427 4.492 5 50 GIBA Cc1nc(CC2CC2)oc1C(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 789411701 UVXOWGXGQHKQRA-FQEVSTJZSA-N 393.399 4.185 5 50 GIBA COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1OC 877711 XHSRVFCEWCEGQY-UHFFFAOYSA-N 399.428 4.296 5 50 GIBA CC[C@H](C)c1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 1148684 QJNRWXHQZWADIY-GOEBONIOSA-N 381.432 4.100 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 4690738 JCHOQNBRLPYLFF-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(Cl)cc2)n1C 5065650 UBQKILUDVIFCHM-UHFFFAOYSA-N 390.852 4.345 5 50 GIBA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 100503683 FUONGWBTJSAQBD-ROUUACIJSA-N 382.441 4.426 5 50 GIBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1Cc2ccccc2C2(CC2)C1 445211114 JKUQRSKXXLDDGZ-UHFFFAOYSA-N 380.447 4.369 5 50 GIBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1207315 AYGIDUXBDINJNG-UHFFFAOYSA-N 389.367 4.421 5 50 GIBA Cc1ccc(-c2cc(C(=O)NCCSc3ccc([N+](=O)[O-])cc3)no2)cc1C 1857800655 PBJBVGRSQGCVAY-UHFFFAOYSA-N 397.456 4.389 5 50 GIBA O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2cccc(C(F)(F)F)c2)CC1 4981123 PJYOLXRIBSTDPR-GQCTYLIASA-N 391.393 4.449 5 50 GIBA COc1cc2ncc([N+](=O)[O-])c(N3CC=CCC4(CCCC4)C3)c2cc1OC 2325862118 JWHRVLLUPMDCRV-UHFFFAOYSA-N 383.448 4.487 5 50 GIBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1cccc([N+](=O)[O-])c1 1121739 VXOBJGAZOWIMAZ-UHFFFAOYSA-N 375.336 4.116 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 1181112 MTCLNYMAHISFFF-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA Cc1c(Cl)cccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 13880554 QKSSWSVJAYUZMV-CMDGGOBGSA-N 375.837 4.083 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C)c1C 829168 GKAJWFUBAWAUKN-UHFFFAOYSA-N 382.825 4.356 5 50 GIBA CC(=O)c1ccc(N2CCC(c3cc(-c4ccco4)[nH]n3)CC2)c([N+](=O)[O-])c1 4002401 KEGVJXWNKOWKGA-UHFFFAOYSA-N 380.404 4.165 5 50 GIBA O=[N+]([O-])c1ccccc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 4724519 RCVNCHFTYVEMKG-UHFFFAOYSA-N 379.504 4.439 5 50 GIBA CCN(C(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1)c1ccccc1 5063888 HROHMXCNOVVWCH-UHFFFAOYSA-N 376.416 4.269 5 50 GIBA Cc1ccc(NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)cc1F 2764621 DVHRZNYDWUISIL-UHFFFAOYSA-N 392.774 4.094 5 50 GIBA Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1O 170684167 LRFPVJFDVJDKLG-UHFFFAOYSA-N 383.326 4.068 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)c(Cl)c1 1181255 AMWPDNONTBVANQ-QPJJXVBHSA-N 396.255 4.428 5 50 GIBA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc(C)c1C 1200135 UNIBMDUMJDBBKL-UHFFFAOYSA-N 382.825 4.356 5 50 GIBA O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccco1 1215948 PSFNANGHBGJGCC-UHFFFAOYSA-N 385.763 4.346 5 50 GIBA CSc1ccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 19720699 YTWMHBCNRIMYTN-UHFFFAOYSA-N 394.500 4.500 5 50 GIBA O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 1203012 XMGQQXJXWYZQDA-UHFFFAOYSA-N 375.797 4.411 5 50 GIBA CCOc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2796616 BHTOLUYUNPGZRN-UHFFFAOYSA-N 394.431 4.107 5 50 GIBA COc1ccc(CNC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542662 GLAPSETWAVIWSW-UHFFFAOYSA-N 380.400 4.112 5 50 GIBA COc1ccc(C(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 1185595 ZKMCWISVBZNXIR-UHFFFAOYSA-N 383.429 4.256 5 50 GIBA C[C@@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 3998637 TXHBCNWBGGAEEL-NOCBQHASSA-N 385.508 4.448 5 50 GIBA COCCOC(=O)c1c(C)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc12 1799078 QTZTZZHEUUOQTA-UHFFFAOYSA-N 385.372 4.032 5 50 GIBA biogenic CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1[N+](=O)[O-] 2875611 YCVMNVIVJUZIDV-UHFFFAOYSA-N 389.839 4.499 5 50 GIBA CCCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 2916299 MMXGXLTWDCICKS-MRXNPFEDSA-N 399.432 4.435 5 50 GIBA CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 4948328 WKLJFGDQICBTMS-UHFFFAOYSA-N 389.458 4.334 5 50 GIBA CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 856221 LYRBSYVFHGVGJX-QGZVFWFLSA-N 388.221 4.055 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCC(Cc2ccccc2)CC1 5041353 LSZTYVVRLVEWHO-UHFFFAOYSA-N 385.489 4.255 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccccc1 1118885 IDSGYWPTICJOGF-UHFFFAOYSA-N 399.410 4.154 5 50 GIBA aggregator O=[N+]([O-])c1cccc(/C=C2\CCC[C@H]3C2=NN[C@H]3c2cccc([N+](=O)[O-])c2)c1 5042921 RGRTYFKGIAIUIH-IWHMKKCGSA-N 378.388 4.387 5 50 GIBA COc1c(C)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 2860478 KDRGPIPCPOTIMX-UHFFFAOYSA-N 379.210 4.235 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc(F)c2)c1)c1cccc(F)c1 5007078 KBBGGRCWSJYBNL-UHFFFAOYSA-N 397.337 4.378 5 50 GIBA COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)cc1 4866869 UGCNOHVPIZJYMA-SDNWHVSQSA-N 399.406 4.473 5 50 GIBA CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 6872055 AWBMKRHIWOVOHG-QUCCMNQESA-N 395.415 4.083 5 50 GIBA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 4840916 INDIHWINDJCCGR-HUUCEWRRSA-N 381.432 4.250 5 50 GIBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 4842758 SUBKCUQRSIWBIX-INIZCTEOSA-N 376.412 4.268 5 50 GIBA COc1ccc(CCNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 5720784 LPHAGTQXMNOTML-UHFFFAOYSA-N 385.445 4.390 5 50 GIBA Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3O)nc2c1 830448 KCXNZOFBUMJGLZ-UHFFFAOYSA-N 379.328 4.262 5 50 GIBA COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 865191 BKGJPEHGFBTTPZ-UHFFFAOYSA-N 391.471 4.074 5 50 GIBA COc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)cc1 4142523 FCYVOFMZRQAWGX-ZRDIBKRKSA-N 389.367 4.066 5 50 GIBA COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O 4142510 HQCBMSSGZLMNBC-ZRDIBKRKSA-N 389.367 4.066 5 50 GIBA COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 5064094 VNRXIOOTFRECIH-UHFFFAOYSA-N 379.210 4.235 5 50 GIBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cc1 1230457 DZDZGEKTPDUBNX-UHFFFAOYSA-N 392.234 4.209 5 50 GIBA O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 13144203 KTBYYFABLDEWPS-UHFFFAOYSA-N 383.839 4.417 5 50 GIBA aggregator O=[N+]([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Cc1ccccc1Cl 1399501 AYWNDTBQUDVDDB-UHFFFAOYSA-N 379.743 4.241 5 50 GIBA Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 2876649 CIWXYYFDYBLQTR-UHFFFAOYSA-N 394.412 4.112 5 50 GIBA COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 4195989 JUVJRFBTGBOWJE-UHFFFAOYSA-N 392.411 4.131 5 50 GIBA Cc1cc2nc(SCCOC(=O)c3cccc([N+](=O)[O-])c3)nc(C)c2cc1C 2321662 QELQZDDMYXYDPS-UHFFFAOYSA-N 397.456 4.412 5 50 GIBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(I)cc2)cc1 5041923 HMGGVBQZEMYPBG-UHFFFAOYSA-N 399.213 4.008 5 50 GIBA O=C(/C=C/c1ccccc1)OC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 22023377 OFVBTNNAQASOLU-YVNCXZRQSA-N 380.444 4.063 5 50 GIBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 994054 GRHHUQLKYMETJQ-UHFFFAOYSA-N 394.836 4.227 5 50 GIBA O=C1S/C(=C/c2cc(Cl)ccc2O)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13894737 BBRNHDJYYOJNPV-OVCLIPMQSA-N 390.804 4.190 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 670467 YPVLMDHAHONSJU-SECBINFHSA-N 385.203 4.316 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cccc1[N+](=O)[O-] 1183209 HVTOXSMIICIAPI-UHFFFAOYSA-N 391.452 4.282 5 50 GIBA aggregator CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 2084859 LRYLGJZKHMGROI-UHFFFAOYSA-N 388.445 4.354 5 50 GIBA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2939563 QZLUSKQMDIJWBZ-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4688219 DHSXAZJFWALEHB-UHFFFAOYSA-N 383.492 4.140 5 50 GIBA O=C(Nc1sc2c(c1C(=O)c1ccncc1)CCC2)c1cccc([N+](=O)[O-])c1 187316337 LMUFUINOWNFOCX-UHFFFAOYSA-N 393.424 4.023 5 50 GIBA Cc1oc2ncnc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1C 225432526 LHBPJSJFGPMERJ-UHFFFAOYSA-N 380.282 4.019 5 50 GIBA CCCCSc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)n1C 4838161 LGRZXHLXOWUOIR-UHFFFAOYSA-N 378.501 4.224 5 50 GIBA O=C(Nc1ccccc1)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3880429 YTJQFCVWZORCCB-UHFFFAOYSA-N 378.344 4.499 5 50 GIBA COc1ccc(-c2nc(-c3cc4cc([N+](=O)[O-])c(O)cc4oc3=O)cs2)cc1 4948343 WEFXPRQBKSCHHU-UHFFFAOYSA-N 396.380 4.206 5 50 GIBA COc1ccc(Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[N+](=O)[O-])cc1 4950906 RPDFTFDPQFGTDS-UHFFFAOYSA-N 388.383 4.251 5 50 GIBA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc([N+](=O)[O-])c1 1195834 FUXWHCQQFKUUIF-GOSISDBHSA-N 390.395 4.006 5 50 GIBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 5447599 JRURHCRZVMHPIS-SJLPKXTDSA-N 385.851 4.005 5 50 GIBA O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cs/c2=N\c2ncccn2)cc1 71785266 ZBNAKECKWWVLNQ-QOCHGBHMSA-N 375.413 4.136 5 50 GIBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(Cl)cn1 822784 RCUYNVKYFNDQLG-UHFFFAOYSA-N 395.758 4.236 5 50 GIBA COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 3130033 BQCFEJSARDJQFD-UHFFFAOYSA-N 393.355 4.490 5 50 GIBA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1117188 IHYDOFRMKOQDTM-VIFPVBQESA-N 377.809 4.264 5 50 GIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)o1 1115019 RRJIJFHYQDURCU-UHFFFAOYSA-N 394.206 4.326 5 50 GIBA O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1cccc([N+](=O)[O-])c1 2884834 INZKEQVCOXXLEO-UHFFFAOYSA-N 386.795 4.260 5 50 GIBA CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 856222 LYRBSYVFHGVGJX-KRWDZBQOSA-N 388.221 4.055 5 50 GIBA O=[N+]([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 5590613 BXCXKIBMZGJZSH-UHFFFAOYSA-N 395.868 4.039 5 50 GIBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 830197 QAWKQUPFMJSWLJ-UHFFFAOYSA-N 393.790 4.234 5 50 GIBA Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 2836481 OPOGMBQHRRTCIE-UHFFFAOYSA-N 388.836 4.019 5 50 GIBA O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(F)(c2cccc(Cl)c2)CC1 225602544 CQQBQVYEZFJZOZ-UHFFFAOYSA-N 392.814 4.114 5 50 GIBA COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 13546311 SBIAUMKZPWNLHQ-OQLLNIDSSA-N 390.804 4.498 5 50 GIBA CCn1c(SCc2c(Cl)cccc2[N+](=O)[O-])nc2ccccc2c1=O 1049960 FZLLYFQBIHZSQA-UHFFFAOYSA-N 375.837 4.270 5 50 GIBA Cc1c(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1oc(=O)c1ccccc12 2859067 FKMPCNTVZXOKER-UHFFFAOYSA-N 389.363 4.425 5 50 GIBA O=C(OCc1cccc(C(=O)Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 1124380 ALUNJGNBBMJICM-UHFFFAOYSA-N 377.352 4.171 5 50 GIBA O=C(CSCc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 2891143 QYZUDZIEVCWOKO-UHFFFAOYSA-N 381.251 4.229 5 50 GIBA COP(=O)(OC)[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2883920 HZXMWYLWYADGTM-HNNXBMFYSA-N 381.281 4.100 5 50 GIBA Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 5013844 VSCHSAWEOLVGBG-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1153372 UKJJOQXNPIJABV-UHFFFAOYSA-N 377.809 4.184 5 50 GIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1c(F)cccc1Cl 2813387 ZVTHLMNJTQUIDA-RMKNXTFCSA-N 394.855 4.450 5 50 GIBA O=[N+]([O-])c1ccc2nc(NNc3ccccc3)c(NNc3ccccc3)nc2c1 2861805 UYQBBOHMWCESNJ-UHFFFAOYSA-N 387.403 4.416 5 50 GIBA COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 19634949 LEVRCQOBFNEIGZ-UHFFFAOYSA-N 377.444 4.079 5 50 GIBA C[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 2862230 PRQAUVSSPAKNNZ-CYBMUJFWSA-N 388.851 4.383 5 50 GIBA O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 4258393 FNQPPDQRNMUHTA-UHFFFAOYSA-N 399.410 4.159 5 50 GIBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 1175286 SQZHXFSZBRYROM-UHFFFAOYSA-N 375.793 4.121 5 50 GIBA CCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 2990991 VOEGPROOMKBYAG-UHFFFAOYSA-N 391.424 4.040 5 50 GIBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(Cl)c1 674383 GKWNTURWIDSVGG-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 4819629 IDMTZCCKIOAMLI-UHFFFAOYSA-N 378.384 4.435 5 50 GIBA CCOc1cc(C=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 1062191 NZDDQYHJVWZGPR-UHFFFAOYSA-N 380.194 4.148 5 50 GIBA O=c1c2c(ccn1Cc1c(F)cccc1[N+](=O)[O-])ccn2Cc1ccccc1F 225560583 GKPKIBYYRHWVTI-UHFFFAOYSA-N 395.365 4.086 5 50 GIBA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1209481 KKRZDPQPXUXCSH-FARCUNLSSA-N 395.184 4.157 5 50 GIBA COc1ccc2nc(Sc3c([N+](=O)[O-])nc(C)n3Cc3ccccc3)[nH]c2c1 8578114 MTVOJCCQWYUXSY-UHFFFAOYSA-N 395.444 4.184 5 50 GIBA CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 728171 VGJYXBJMJKTRGX-IURSYISVSA-N 379.416 4.213 5 50 GIBA Cc1cc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)ccc1[N+](=O)[O-] 1129553 OGXDDJLBFZDZCZ-UHFFFAOYSA-N 398.488 4.020 5 50 GIBA Cc1ccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)cc1C 1761607 BIGJJSNRFFQEIH-UHFFFAOYSA-N 399.432 4.286 5 50 GIBA CC1(c2ccccc2F)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 369350430 TUIMVZARFIKDDH-UHFFFAOYSA-N 386.426 4.234 5 50 GIBA O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl 4689120 KRTMOBBQMFRTIX-UHFFFAOYSA-N 390.173 4.022 5 50 GIBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983506 KBZWMRAYNKRORZ-UHFFFAOYSA-N 379.338 4.466 5 50 GIBA O=[N+]([O-])c1cccnc1Oc1ccc(Cl)cc1I 98213544 LRKVKMNRLYHULU-UHFFFAOYSA-N 376.537 4.040 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1)CCCC3 4755589 OUSXOUSLWIHGSO-UHFFFAOYSA-N 381.384 4.168 5 50 GIBA O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 1105406 PMMDFSKXIWFLTF-UHFFFAOYSA-N 376.368 4.378 5 50 GIBA Cc1ccc(-c2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2C)cc1C 2772133 IBSAROMULRJKRY-UHFFFAOYSA-N 399.476 4.096 5 50 GIBA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 230209906 YWXMDBGIGIPQLG-VTJXTGGHSA-N 395.459 4.160 5 50 GIBA CC[C@@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 2845149 VCPHWENWRYJJSB-OAHLLOKOSA-N 384.417 4.229 5 50 GIBA CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 6871985 AWBMKRHIWOVOHG-UYAOXDASSA-N 395.415 4.083 5 50 GIBA Cc1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Br 104229288 NEFPKNICNPWXGJ-UHFFFAOYSA-N 397.141 4.226 5 50 GIBA O=C(Oc1ccc(/C=C2/SC(=S)N=C2O)cc1)c1cccc([N+](=O)[O-])c1 2903109 XCFMWXLBLMCKJP-RIYZIHGNSA-N 386.410 4.143 5 50 GIBA Cc1cc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 1074727 DQAHWWHVIONIOR-UHFFFAOYSA-N 375.380 4.491 5 50 GIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2Cl)cs1 1791442 JSQKHFOPJOHBEK-UHFFFAOYSA-N 389.820 4.389 5 50 GIBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 4662875 MLDZPUMISSBVPG-UHFFFAOYSA-N 387.461 4.209 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C)c1C 799278 KXKBMPMIVLYDJI-UHFFFAOYSA-N 382.825 4.356 5 50 GIBA CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 5091778 OPDLGRHVRVTVSW-UHFFFAOYSA-N 376.368 4.439 5 50 GIBA O=[N+]([O-])c1cc2c(cc1CN[C@H](Cc1ccccc1)c1ccccc1)OCO2 19721005 WFCKVFCWBCCEQH-LJQANCHMSA-N 376.412 4.397 5 50 GIBA Cc1cccc(/N=c2\[nH]c3ccc([N+](=O)[O-])cc3[nH]\c2=N/c2cccc(C)c2)c1 102309428 OPZYDBUZFINYIS-UHFFFAOYSA-N 385.427 4.486 5 50 GIBA C[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)c[nH]1 170616195 NAYVNFXLZINFQX-SNVBAGLBSA-N 388.225 4.316 5 50 GIBA CCn1ccc(C(=O)Nc2cc(Oc3cc(C)cc(C)c3)cc([N+](=O)[O-])c2)n1 655315 RBOABOCTHMQHIY-UHFFFAOYSA-N 380.404 4.473 5 50 GIBA CCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 2912490 VZRSDHVPWNNCTF-QGZVFWFLSA-N 395.444 4.452 5 50 GIBA O=C(Nc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 22135349 KMLUHFTUTCTMPO-UHFFFAOYSA-N 385.383 4.095 5 50 GIBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3880207 DKWPNHNWEMFWEU-UHFFFAOYSA-N 387.439 4.224 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 1135474 WVVPXVOZKXLWHD-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)c1 40398726 QOTFVIFUUGSBEV-UHFFFAOYSA-N 393.446 4.307 5 50 GIBA CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(OC)c2ccccc2oc1=O 753762 JGFRWAOCRVYMMX-QGZVFWFLSA-N 381.384 4.211 5 50 GIBA O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Br 1176243 ZYUSFRURXPZEBM-UHFFFAOYSA-N 378.207 4.219 5 50 GIBA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2O)cc1 4582916 CROKTKRIGBNNHG-SNVBAGLBSA-N 384.841 4.268 5 50 GIBA CCNc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] 4740942 OEFMZXDMNCZDRU-UHFFFAOYSA-N 396.491 4.112 5 50 GIBA CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12 978436 PHUMYNOPYMKMNR-UHFFFAOYSA-N 396.399 4.144 5 50 GIBA COc1ccc(CCNC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542664 YOODHIFLPGHLHF-UHFFFAOYSA-N 394.427 4.155 5 50 GIBA COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC 725545 PHHWLCVYLQJAQA-UHFFFAOYSA-N 398.459 4.244 5 50 GIBA biogenic CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 1171904 RDVWTSMIHJDVNN-UHFFFAOYSA-N 393.852 4.162 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl 5093713 QBNKYOJAJLOYGG-UHFFFAOYSA-N 385.203 4.236 5 50 GIBA COc1ccccc1[C@H]1[C@@H](Oc2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 2758728 QKVLMIXHPFSYCW-LEWJYISDSA-N 390.395 4.139 5 50 GIBA CC(C)c1ccccc1N(C1CSC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 4858583 VEQZQTKXEHSMBZ-UHFFFAOYSA-N 392.502 4.029 5 50 GIBA CCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)ccc2ccccc12 6591588 ZAAPIDOAJKMHRI-JOCHJYFZSA-N 392.411 4.289 5 50 GIBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C1 100508897 FWYXNQQJDPKKLD-OYUDYFSCSA-N 392.436 4.058 5 50 GIBA CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 4371276 VGJYXBJMJKTRGX-IZLCOFNUSA-N 379.416 4.213 5 50 GIBA O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 1109698 VWRZFZPCYGMXCP-UHFFFAOYSA-N 394.358 4.248 5 50 GIBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1180834 SBNNIIIOQXFADL-UHFFFAOYSA-N 377.425 4.389 5 50 GIBA O=C(NC[C@@H]1CCCO1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl 1140830 YFFKWHBGEYEHEV-ZDUSSCGKSA-N 392.864 4.308 5 50 GIBA O=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 1158512 LNKDAQUULVXONP-UHFFFAOYSA-N 384.569 4.042 5 50 GIBA O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1133230 MEYNRVSZIGWYRU-UHFFFAOYSA-N 387.823 4.127 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O 4917320 RKCIYWLZWPIDPE-UKTHLTGXSA-N 399.406 4.478 5 50 GIBA Cc1ccc(-n2nc3ccc(NC(=O)/C=C\c4cccc([N+](=O)[O-])c4)cc3n2)cc1 5101214 GXVHPKCGWFYFNF-GHXNOFRVSA-N 399.410 4.289 5 50 GIBA O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1121610 OMCQTNOFQNXELQ-GZTJUZNOSA-N 378.315 4.338 5 50 GIBA Cc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1F 2796461 MNEZXQXJUBKAAB-UHFFFAOYSA-N 382.395 4.156 5 50 GIBA Cc1cccc([C@@H]2N[C@H](c3cccc(C)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1 239377955 OGCYJIVSWQMNJB-FGYAAKKASA-N 383.448 4.006 5 50 GIBA Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1I 675400 ZUQVUOYITUONTI-UHFFFAOYSA-N 396.184 4.069 5 50 GIBA COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1[N+](=O)[O-] 1166444 ZPXMYJZJXGJMLX-UHFFFAOYSA-N 390.355 4.059 5 50 GIBA Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 245237989 BOQWUPHUSDEKCJ-FGYAAKKASA-N 383.448 4.006 5 50 GIBA aggregator CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1OC 245296165 KZUFRLKJCLWSAW-ROKPMTFOSA-N 390.544 4.440 5 50 GIBA biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 4427473 WTDYBJREKHVEED-UHFFFAOYSA-N 387.779 4.473 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)ccc1Cl 4689099 FJYVJBSLJHYSOB-UHFFFAOYSA-N 385.601 4.272 5 50 GIBA CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2ccccc12 17078864 XTVHURSSHNSAJM-UHFFFAOYSA-N 386.462 4.034 5 50 GIBA CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4040998 IXXHONKZIJLORG-BJMVGYQFSA-N 391.221 4.408 5 50 GIBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)Cc1ccccc1 1145399 GIVGLXJEDUSXTE-UHFFFAOYSA-N 389.411 4.337 5 50 GIBA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 2819199 DBHVXFWECUTERC-UHFFFAOYSA-N 385.420 4.293 5 50 GIBA CC(=O)c1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 2842935 UBTQBRLYCMWECL-UHFFFAOYSA-N 387.442 4.138 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-] 1180097 AHEUFQDZENBGRI-UHFFFAOYSA-N 398.488 4.020 5 50 GIBA CCCCOC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4765223 AJXRIQCUJUMNSW-UHFFFAOYSA-N 387.392 4.204 5 50 GIBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12 5568692 ZCQBOLNEYPRPFO-UHFFFAOYSA-N 388.379 4.408 5 50 GIBA Cc1ccc(Br)c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 240786087 IADXTSPZAIIIPJ-UHFFFAOYSA-N 396.216 4.123 5 50 GIBA O=C1N[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)Nc2ccccc21 2543535 LGRAUNPKMPPZRE-HXUWFJFHSA-N 375.384 4.028 5 50 GIBA COC(CCCC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)OC 170619844 ASQPAGBAFMMUAA-UHFFFAOYSA-N 387.864 4.185 5 50 GIBA CC[C@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 2845148 VCPHWENWRYJJSB-HNNXBMFYSA-N 384.417 4.229 5 50 GIBA O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1ccc(O)cc1 30838929 AOHWTIKHDDRUSH-JYRVWZFOSA-N 385.379 4.170 5 50 GIBA CCCCCC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1787073 UVVIAVQLJFBILM-ZDUSSCGKSA-N 383.659 4.366 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 4797901 KGSNJARTBRDRPT-UHFFFAOYSA-N 377.400 4.232 5 50 GIBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCCCC1 1063218 MSXCMQZYNHPWBM-UHFFFAOYSA-N 389.839 4.256 5 50 GIBA O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 5068547 DBMUUEIRFWHHTH-UHFFFAOYSA-N 393.790 4.234 5 50 GIBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC2(Cc3ccccc3C2)C1 373883907 SVBNMBFRHKFHDN-UHFFFAOYSA-N 394.474 4.312 5 50 GIBA O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5737187 XDLIHLDZGQTQLB-HXUWFJFHSA-N 391.383 4.217 5 50 GIBA COc1ccc([N+](=O)[O-])cc1Nc1ncnc2ccc(Br)cc12 955720 JIBVWIURXCVUHL-UHFFFAOYSA-N 375.182 4.053 5 50 GIBA CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 4133030 IWCHXGFIGVYVPC-UHFFFAOYSA-N 376.453 4.462 5 50 GIBA Cc1cc(Br)ccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 1158932 MPZSTZNWGIFIED-UHFFFAOYSA-N 390.193 4.295 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 2843698 WKOHQATZTSKGGZ-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA C[C@@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 4872314 RAGATRMNHXRQMA-REWPJTCUSA-N 398.418 4.090 5 50 GIBA Cc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1[N+](=O)[O-] 676213 VWKPTZORZJXFOF-UHFFFAOYSA-N 395.440 4.291 5 50 GIBA aggregator CCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc([N+](=O)[O-])c1O 13914302 YNDQVNZGKQSGAR-HNNXBMFYSA-N 378.384 4.326 5 50 GIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)c(Cl)c1 1155014 FCMLCYTXPWXYGM-UHFFFAOYSA-N 389.839 4.256 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC(c2c(F)cccc2Cl)=NO1 5078228 ZFWXVUNNAYMDES-CQSZACIVSA-N 398.177 4.172 5 50 GIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3o2)cc1 1206391 FNRVRILUYVMHEO-UHFFFAOYSA-N 389.367 4.421 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1O 5068084 GIFOXMIJOPYFEV-BUHFOSPRSA-N 385.379 4.170 5 50 GIBA Cc1nnc(Sc2c([N+](=O)[O-])cnc3c(OC(F)(F)F)cccc23)s1 1875339082 VNPIEQWVGYRMBU-UHFFFAOYSA-N 388.352 4.353 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 4125129 QNVXIZKZOFZMAK-UHFFFAOYSA-N 397.519 4.158 5 50 GIBA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])s1 4427275 MOSTVNRKWSNBRO-UHFFFAOYSA-N 376.221 4.156 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1cccc(Cl)c1 4702041 GPIOHBBEVDVJBP-BQYQJAHWSA-N 376.865 4.311 5 50 GIBA O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 4819610 JTLZKRBBYXYQLE-OAQYLSRUSA-N 392.455 4.037 5 50 GIBA Cc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C)cc1 9109587 NSKKLEKVVYSKSB-UHFFFAOYSA-N 383.429 4.353 5 50 GIBA CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2ccccc12 657072 NZHRCOLPRBXTDR-UHFFFAOYSA-N 384.413 4.167 5 50 GIBA O=C(Oc1ccccc1)c1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1 1130256 APPOFVQZXGNSBH-UHFFFAOYSA-N 377.352 4.171 5 50 GIBA COc1cc(/C=C/c2ccc3cccc(OC)c3n2)cc([N+](=O)[O-])c1OC(C)=O 4998372 SOQBVJHECRAKQM-VQHVLOKHSA-N 394.383 4.256 5 50 GIBA CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 2821062 CPRCCFUIZBEKPC-UHFFFAOYSA-N 376.796 4.457 5 50 GIBA O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 170622990 WZPMKMHIAAKUAW-JOCHJYFZSA-N 388.423 4.439 5 50 GIBA Cc1ccc(NC(=O)CCC(=O)OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 5059730 XCGREHWIMHQTHN-UHFFFAOYSA-N 394.786 4.158 5 50 GIBA O=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 1431915 MPLKWEVTZCAURH-UHFFFAOYSA-N 394.412 4.145 5 50 GIBA COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 662643 DRDUKTHQKWTNLR-UHFFFAOYSA-N 394.836 4.227 5 50 GIBA CCCCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1787065 DCGQECDXZBESQM-CYBMUJFWSA-N 382.675 4.400 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 4930117 VLHZPEWHLODBCA-UHFFFAOYSA-N 385.383 4.095 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 5736203 JWXUQRHGKNCBNX-NFBKMPQASA-N 399.406 4.347 5 50 GIBA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913238 KEMISNIEEGTGIH-KRWDZBQOSA-N 386.448 4.128 5 50 GIBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 408420577 XXWKPCYPOMPIHX-FAAYRAOTSA-N 375.469 4.005 5 50 GIBA COc1ccc(-n2cnc3nc4c(c(-c5cccc([N+](=O)[O-])c5)c32)CCC4)cc1 2270237 LLZUQGRSSJYZQW-UHFFFAOYSA-N 386.411 4.493 5 50 GIBA Cc1nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] 328596408 NNHJDLNULNRCDN-ZBEGNZNMSA-N 381.354 4.283 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc(Cl)c(Cl)c1 5041524 KBCWVFDIFBPPAP-UHFFFAOYSA-N 386.260 4.397 5 50 GIBA CC[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 13330055 CVHXAFKJKSBJGL-CQSZACIVSA-N 389.260 4.331 5 50 GIBA Cc1nc2c(c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2C)c(C)c1Cl 12444809 XPNLIDYNXNMJLX-UHFFFAOYSA-N 394.218 4.052 5 50 GIBA O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(Br)c([N+](=O)[O-])c1 4506445 FUOADERLNHBYPA-UHFFFAOYSA-N 380.238 4.483 5 50 GIBA O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 19799908 XDLIHLDZGQTQLB-FQEVSTJZSA-N 391.383 4.217 5 50 GIBA Cc1c(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 5067932 BDPQLTZQVSGHIQ-UHFFFAOYSA-N 375.380 4.491 5 50 GIBA CC1(C)CC(=O)c2sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2C1 1135621 NILHYIAWMJHQRL-UHFFFAOYSA-N 379.825 4.112 5 50 GIBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc2ccccc12 18221788 GHDKIKFNWOTKGY-UHFFFAOYSA-N 378.413 4.355 5 50 GIBA Cc1cc(C)cc(Oc2cc(NC(=O)c3cn(C)nc3C)cc([N+](=O)[O-])c2)c1 653396 BFIUOWAAWSBUTD-UHFFFAOYSA-N 380.404 4.298 5 50 GIBA O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1cccc([N+](=O)[O-])c1 868259 AFTLQZGWOKVPPI-UHFFFAOYSA-N 390.395 4.062 5 50 GIBA O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1[N+](=O)[O-] 2849312 JUJVOPYEGIMYBE-UHFFFAOYSA-N 388.836 4.137 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 1134681 TWUMXCZVSORFSL-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA O=C(Nc1nnc(CCc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl 1154263 XOIVJPJNJBUROT-UHFFFAOYSA-N 388.836 4.137 5 50 GIBA O=C(COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1)Nc1ccccc1 4851272 DHTZUXVCNGFLQE-UHFFFAOYSA-N 377.400 4.224 5 50 GIBA Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 959380 GPYNZYBAIXUMTE-UHFFFAOYSA-N 391.379 4.119 5 50 GIBA CC1(C)CC(=O)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2C1 1128623 GGCQHNACLBKHEE-UHFFFAOYSA-N 379.825 4.112 5 50 GIBA Cc1cc(Br)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 1159413 MXBAEPGFHKVGED-UHFFFAOYSA-N 390.193 4.295 5 50 GIBA CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1 1150969 CHYPDRJDXPTPFH-UHFFFAOYSA-N 376.368 4.439 5 50 GIBA O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2701510 MPJAREDPLUWCJW-UHFFFAOYSA-N 398.422 4.378 5 50 GIBA aggregator Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCCC3 5799420 KBKADNMDGVPMHG-UHFFFAOYSA-N 382.445 4.308 5 50 GIBA CCCC[C@@H](CC)c1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 2872611 MVNGSNJBBZXZFN-LLVKDONJSA-N 378.454 4.391 5 50 GIBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 245325575 FWGWCUQORXOSII-YXUGBTPSSA-N 398.846 4.430 5 50 GIBA COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)o1 1220340 PXARBOYBUDCCSQ-UHFFFAOYSA-N 395.371 4.074 5 50 GIBA O=c1[nH]c(O)nc(/C=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1[N+](=O)[O-] 32690757 LDNVABQMPPWPCZ-XQRVVYSFSA-N 394.170 4.121 5 50 GIBA COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] 1161497 DXZDHSPGLPRQAU-UHFFFAOYSA-N 390.355 4.059 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccccc1 4321252 ZSXIIHJWIRVOAC-LJQANCHMSA-N 395.440 4.016 5 50 GIBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(Br)cc1 5063855 KKEQKRUXKIVNBG-QGZVFWFLSA-N 388.221 4.055 5 50 GIBA Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 957947 HEWOGUTYOIBBJT-UHFFFAOYSA-N 376.368 4.375 5 50 GIBA O=C(O[C@@H]1C=C[C@]23C=CC=C[C@@]12CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104296026 GICOYOXIYCQZAO-MISYRCLQSA-N 382.372 4.271 5 50 GIBA CCCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc(C)c1C 2102291 DPRWNXBSVIQNDN-UHFFFAOYSA-N 376.434 4.021 5 50 GIBA O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccccc1[N+](=O)[O-] 2767417 PUJUZFBFSZCKSG-UHFFFAOYSA-N 391.214 4.399 5 50 GIBA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 2829991 JGHXELDDDJDICG-UHFFFAOYSA-N 385.420 4.375 5 50 GIBA C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4455733 OTXPFTWCIBMJHF-LXGFQCHUSA-N 398.551 4.363 5 50 GIBA O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1 5127463 MGAXVCYXLQXMJB-AWEZNQCLSA-N 388.638 4.133 5 50 GIBA CCN(C)C(=O)c1cccc(OCc2ccc(Br)c([N+](=O)[O-])c2)c1 253415577 MRYIZJXHNSIZSD-UHFFFAOYSA-N 393.237 4.028 5 50 GIBA O=c1cc(-c2ccc(Cl)cc2Cl)nc(-c2cccc([N+](=O)[O-])c2O)o1 15856577 DEXDBQWBMPVMQK-UHFFFAOYSA-N 379.155 4.289 5 50 GIBA Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(C=O)ccc1[N+](=O)[O-] 1133869 CKRGDWZEZGFDDV-UHFFFAOYSA-N 386.747 4.243 5 50 GIBA CC[C@H](Oc1ccccc1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2761354 KZWDUDGTQRZQAW-INIZCTEOSA-N 398.337 4.332 5 50 GIBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCSc2ccccc2C1 1875265085 LQBXSDCEADACIY-UHFFFAOYSA-N 386.476 4.429 5 50 GIBA O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 1132820 JNNFBFFSCZLIKX-UHFFFAOYSA-N 382.235 4.445 5 50 GIBA Cc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 957921 TUDNPUOUGMCWQB-UHFFFAOYSA-N 383.429 4.353 5 50 GIBA Cc1nn(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-] 993864 RAPBDWRFDULSTG-UHFFFAOYSA-N 384.823 4.362 5 50 GIBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1172338 WAUDWZAGHDYRPO-UHFFFAOYSA-N 393.852 4.162 5 50 GIBA COc1ccc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)cc1OC 1134988 WUACLLPVHIVOEK-UHFFFAOYSA-N 384.432 4.371 5 50 GIBA CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 1148678 QJNRWXHQZWADIY-ZBFHGGJFSA-N 381.432 4.100 5 50 GIBA O=[N+]([O-])c1c(NCc2ccccc2)cc(Nc2cccc(O)c2)c2nonc12 23114671 BDVVMTSGTSKKFI-UHFFFAOYSA-N 377.360 4.192 5 50 GIBA Cc1sc2nc3c4ccccc4c(NCc4ccccn4)nn3c(=O)c2c1C 947671 KRSNFPWQQBQVAK-UHFFFAOYSA-N 387.468 4.081 5 50 GIBA Cc1c(-c2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cccc1[N+](=O)[O-] 2848140 HYASIWRJMFWZLF-UHFFFAOYSA-N 390.355 4.466 5 50 GIBA COc1ccccc1Oc1cc(NC(=O)c2noc(C)c2C)cc([N+](=O)[O-])c1 13641072 XFLHPPPNWCIHMK-UHFFFAOYSA-N 383.360 4.253 5 50 GIBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 55291823 PKVSTNRYVYWUDJ-UHFFFAOYSA-N 385.467 4.488 5 50 GIBA O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1[N+](=O)[O-] 1163510 KTQMMESCSLONDA-UHFFFAOYSA-N 376.328 4.157 5 50 GIBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)s1 1055933 GQFKJSFEGGSAOP-UHFFFAOYSA-N 384.236 4.281 5 50 GIBA COc1ccc(Br)cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 2886319 VEWFNLHFDVBUBM-UHFFFAOYSA-N 376.166 4.083 5 50 GIBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C/C=C/c2ccccc2)CC1 5073948 GWNCXOSJKQXLGZ-QPJJXVBHSA-N 391.393 4.449 5 50 GIBA CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1120327 HQEYNMKCMUNTTG-ONNFQVAWSA-N 387.823 4.495 5 50 GIBA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 1179667 LOTVNFMEBYPKGU-FPYGCLRLSA-N 396.255 4.428 5 50 GIBA CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccccc1 65735037 CZXVZFSVMHLZMY-IBGZPJMESA-N 386.448 4.108 5 50 GIBA in-vitro CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cc([N+](=O)[O-])ccc1O 19792956 RITWMBJIZHOPPX-UHFFFAOYSA-N 387.779 4.422 5 50 GIBA Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 957941 PTKMFJTZFWGGQL-UHFFFAOYSA-N 376.368 4.375 5 50 GIBA Cc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c([N+](=O)[O-])c1 4834215 AUNMTDMADYBRPJ-UHFFFAOYSA-N 393.237 4.300 5 50 GIBA COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 668788 WWXWTEUSDVMECC-UHFFFAOYSA-N 382.372 4.336 5 50 GIBA O=Cc1ccccc1OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 959453 KOIAKTPPRQEULY-UHFFFAOYSA-N 385.319 4.124 5 50 GIBA O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccco1 2802477 TYHBENWLZOIYFT-UHFFFAOYSA-N 393.424 4.238 5 50 GIBA COc1cccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 4557604 SKINFOVXNPTTGT-OUKQBFOZSA-N 399.406 4.473 5 50 GIBA O=Cc1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 959447 CUFSKSWQJZEYSS-UHFFFAOYSA-N 385.319 4.124 5 50 GIBA CN(C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 1070408 QCXFJOSNQWHHKY-UHFFFAOYSA-N 375.384 4.124 5 50 GIBA CC(C)(C)c1ccc(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C(N)=O)cc1 3669497 JYWIAJBHIWENSE-UHFFFAOYSA-N 375.406 4.051 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cccc(C(F)(F)F)c1 1182977 GGTMSATZDRIQRP-BQYQJAHWSA-N 395.362 4.140 5 50 GIBA Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 2903356 QDDDZWSBNXCECY-UHFFFAOYSA-N 398.400 4.156 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 177365689 UWMRCBSWRRJGOW-UHFFFAOYSA-N 394.431 4.339 5 50 GIBA O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccccc1 1089434 REXLDFGVCFKFPF-FQEVSTJZSA-N 389.367 4.095 5 50 GIBA O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(O)ccc1[N+](=O)[O-] 170617898 XIPHAZXWJRQFJU-UHFFFAOYSA-N 382.347 4.271 5 50 GIBA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 1228882 DMWYFDARMJTDSQ-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(Cl)cc1 106681239 JCKYOIPBDDCHEG-UHFFFAOYSA-N 380.791 4.227 5 50 GIBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2c(C)c(O)ccc23)cc1O 253410870 NWTFYOZTLOWAKS-UHFFFAOYSA-N 375.384 4.263 5 50 GIBA biogenic O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983360 FBSNFHSSOAIJKX-UHFFFAOYSA-N 390.237 4.210 5 50 GIBA CN(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1157446 MUGDWWUEFIZSEM-OAQYLSRUSA-N 388.427 4.432 5 50 GIBA Cc1cccc2sc(NC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc12 2809552 IUFGTPPSNSGDMT-UHFFFAOYSA-N 399.457 4.120 5 50 GIBA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc([N+](=O)[O-])cc1 857109 JOLXKDSEOSEWQV-SFHVURJKSA-N 390.395 4.006 5 50 GIBA CC1CCN(c2ccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2)CC1 731496290 IMCDAGUMTDHTAI-OAQYLSRUSA-N 394.475 4.049 5 50 GIBA O=C(Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 1135902 HLXYKKMIWXZSRM-UHFFFAOYSA-N 376.368 4.204 5 50 GIBA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2064401 DPFWLRQAANPEAA-UHFFFAOYSA-N 387.461 4.073 5 50 GIBA Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 4993694 VYBIWPUMPANCJO-UHFFFAOYSA-N 382.441 4.299 5 50 GIBA COc1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c(OC)cc1Cl 5041327 NBVUOJOYANIGHT-UHFFFAOYSA-N 397.840 4.083 5 50 GIBA COc1ccc2[nH]c(=O)c(-c3c4cn[nH]c4nc4c3oc3cc(O)ccc34)cc2c1 217739254 CFVBWQNIGKFDSU-UHFFFAOYSA-N 398.378 4.080 5 50 GIBA biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1ccccc1 1212974 XXVDCTNIMJZIRK-BUHFOSPRSA-N 387.395 4.499 5 50 GIBA COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 2971501 QYPKOGOVCQJEGT-VMPITWQZSA-N 377.194 4.018 5 50 GIBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2835589 RRWDSSWLRJOECD-UHFFFAOYSA-N 391.811 4.004 5 50 GIBA O=C(c1cc2ccccc2c2cccnc12)N1CC[C@]2(C1)C(=O)Nc1ccccc12 372295157 NDZWOQSGVMEGRW-RUZDIDTESA-N 393.446 4.124 5 50 GIBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc([N+](=O)[O-])c1 4542643 OYEHVLFDUJNDTO-UHFFFAOYSA-N 381.344 4.334 5 50 GIBA O=c1oc2ccc(Br)cc2cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4831770 CZXWWNOMUNQTPF-UHFFFAOYSA-N 391.133 4.039 5 50 GIBA Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1230301 ZZZQMLKXYSPMMZ-UHFFFAOYSA-N 384.413 4.496 5 50 GIBA Cc1ccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3170690 IHNMUAMDLLIFIE-UHFFFAOYSA-N 381.344 4.251 5 50 GIBA CCOc1ccc(NC(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 2238516 OIBAOOIGAAKIGP-UHFFFAOYSA-N 399.432 4.080 5 50 GIBA COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1 146443046 SZTYQQYYIMVETL-UHFFFAOYSA-N 393.378 4.435 5 50 GIBA in-vitro O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)c1cccc([N+](=O)[O-])c1 2870559 CQORCZNDNWFRTH-UHFFFAOYSA-N 397.378 4.257 5 50 GIBA CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 947363 ZQNVBKKJJAWLNQ-WEVVVXLNSA-N 376.796 4.307 5 50 GIBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1185698 LMGAPTYOPDDBEC-ZHACJKMWSA-N 399.410 4.289 5 50 GIBA O=C(NCCc1cccc(Cl)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 241930300 UHLBCQANHLBVMO-UHFFFAOYSA-N 381.819 4.283 5 50 GIBA O=C(Nc1ccc(Cl)cn1)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1125205 DGHILMNMKCTIRH-UHFFFAOYSA-N 383.791 4.475 5 50 GIBA O=Cc1cc([N+](=O)[O-])ccc1SCCSc1ccc([N+](=O)[O-])cc1C=O 2534528 CFSRJUWPFQCGHQ-UHFFFAOYSA-N 392.414 4.012 5 50 GIBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc2c(c1)oc1ccccc12 4016364 DGTRBGFPLVPZFS-UHFFFAOYSA-N 387.351 4.160 5 50 GIBA COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1228864 CYCYXQWOYFRCKV-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 2803042 INLPVWOFSGWMGU-LLVKDONJSA-N 379.445 4.429 5 50 GIBA O=C(Nc1ccccc1F)c1cc(C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1 4309883 UKXXKWNQCQLOQY-UHFFFAOYSA-N 397.337 4.378 5 50 GIBA COc1ccccc1Nc1cc(N2CCCCCC2)c2nonc2c1[N+](=O)[O-] 4622072 DISAVKWDMSXUNG-UHFFFAOYSA-N 383.408 4.264 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)Cc1cccc2ccccc12 4676509 CWPZYUGHIUDOQG-UHFFFAOYSA-N 379.441 4.112 5 50 GIBA COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4691182 JMHWYKDLYNNODN-UHFFFAOYSA-N 378.812 4.363 5 50 GIBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 1162394 FNAGZMDUKRMAJZ-UHFFFAOYSA-N 393.428 4.182 5 50 GIBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 1211162 YQDRREHWMUINMY-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1C 1217994 DAVRSIZSORRPIT-UHFFFAOYSA-N 382.825 4.356 5 50 GIBA O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 2843049 IFCNIJPRSVHVGB-UHFFFAOYSA-N 385.379 4.467 5 50 GIBA Cc1ccc([N+](C)(C)CCOCCOCC[N+](C)(C)c2ccc(C)cc2)cc1 5683813 FRWRIJKLQKRLJM-UHFFFAOYSA-N 386.580 4.171 5 50 GIBA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2 995069 PVMZVBRFRCTNLS-UHFFFAOYSA-N 394.836 4.227 5 50 GIBA O=C(NC[C@H]1CCCO1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 1120906 QXYQXYGIEYUIIA-GFCCVEGCSA-N 392.864 4.308 5 50 GIBA Cc1ccc(C(=O)Nc2ccc(-c3noc(-c4ccco4)n3)cc2)cc1[N+](=O)[O-] 1162484 JPRVCOKRUFYEQF-UHFFFAOYSA-N 390.355 4.466 5 50 GIBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 1164431 LZIJOTVQOIMKBV-UHFFFAOYSA-N 398.596 4.050 5 50 GIBA COc1ccc2cc(-c3c4cn[nH]c4nc4c3oc3cc(O)ccc34)c(=O)[nH]c2c1 217743874 BUSZBMREXZVLLN-UHFFFAOYSA-N 398.378 4.080 5 50 GIBA biogenic CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OCC)c1OCC 5042479 RCFWFYQUPPGCTP-UHFFFAOYSA-N 388.420 4.352 5 50 GIBA COCCn1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc21 178505026 KBMFQOZZRIMPCC-UHFFFAOYSA-N 393.443 4.001 5 50 GIBA Cn1ncc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(O)ccc4c3nc21 253415056 ZLYQXMJBHGYILV-UHFFFAOYSA-N 396.406 4.092 5 50 GIBA biogenic COc1ccc2c3c(c(=O)oc2c1OCc1ccc([N+](=O)[O-])cc1)CCCC3 1050249 RNXGJKYMUPHQKH-UHFFFAOYSA-N 381.384 4.168 5 50 GIBA COc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1 4894059 PIPUANNFVIQLIK-RUDMXATFSA-N 377.194 4.018 5 50 GIBA O=[N+]([O-])c1ccc(/C=C/c2c(Br)cncc2Br)nc1 253425622 FZYVMBNGOGAKML-DUXPYHPUSA-N 385.015 4.080 5 50 GIBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1scc2c1c(=O)oc1ccccc12 1054426 LONQCVUHGCKVCS-UHFFFAOYSA-N 380.381 4.097 5 50 GIBA Cc1ccc(C2=N/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)cc1 5052294 FOXMYKRDIAQMFY-ZSOIEALJSA-N 387.189 4.010 5 50 GIBA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13331421 XYNJSRZNNVWNCK-UHFFFAOYSA-N 379.420 4.409 5 50 GIBA Cc1c(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 2102397 LHTSCGQAYAOCSH-UHFFFAOYSA-N 399.281 4.005 5 50 GIBA CS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 301133568 VQWHUXQLOJWVIE-UHFFFAOYSA-N 377.365 4.168 5 50 GIBA O=C(CSCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 1107237 VIPCZBHXEKFOPH-UHFFFAOYSA-N 380.425 4.303 5 50 GIBA CCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 2911050 NHHZUEQQJBOAMN-OAHLLOKOSA-N 385.405 4.045 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)cc(C)c2cc1Cl 4819062 OHVWNHXOVYDDHX-UHFFFAOYSA-N 375.764 4.251 5 50 GIBA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 2325848626 LNOCUWCVDFGRIO-UHFFFAOYSA-N 382.420 4.255 5 50 GIBA O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1111339 KMGXIPHEYWXUCK-UHFFFAOYSA-N 387.823 4.127 5 50 GIBA C[C@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 3998636 TXHBCNWBGGAEEL-BZSISCHUSA-N 385.508 4.448 5 50 GIBA CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1155553 OCZJOBUSUUOJBK-ZRDIBKRKSA-N 391.383 4.465 5 50 GIBA COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 943530 JNAYZXCKOJAVKH-SOFGYWHQSA-N 377.194 4.018 5 50 GIBA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4825918 TYAHETCQKZPLFP-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA COc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 4367761 VKQANZLYMKQMBT-XNTDXEJSSA-N 399.406 4.473 5 50 GIBA Cc1ccc2nc(-c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)sc2c1 6413547 YVISNCJCMLRNCB-UHFFFAOYSA-N 379.401 4.155 5 50 GIBA Cc1cc(C)c2nc(C)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 17077343 XOZHKIJBVFMAFZ-UHFFFAOYSA-N 378.384 4.108 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccc1O 4593704 OXVZSTHXIJYTMQ-UHFFFAOYSA-N 393.355 4.056 5 50 GIBA Cc1cc(C(=O)Nc2ccc(Br)c3cccnc23)ccc1[N+](=O)[O-] 1106081 PKFCHUFVWNAESP-UHFFFAOYSA-N 386.205 4.466 5 50 GIBA CCOc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1117244 GYGLWNRDVGEHBV-UHFFFAOYSA-N 389.458 4.334 5 50 GIBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 993967 PSMJLWVJCNQVIN-NSHDSACASA-N 388.445 4.210 5 50 GIBA O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2ncn1CCOc1ccccc1 4425642 QBOXHDNSYFIFLR-UHFFFAOYSA-N 393.424 4.112 5 50 GIBA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 2763188 WRGJBZPLLCXBBQ-UHFFFAOYSA-N 398.850 4.291 5 50 GIBA CC(C)(C)c1ccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 4455745 JJHXQXGDXFTYST-UHFFFAOYSA-N 399.491 4.220 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1[N+](=O)[O-] 2998762 UJIKTLZGGGIQKF-UHFFFAOYSA-N 379.210 4.317 5 50 GIBA O=C(NC[C@H]1CCCO1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl 1140829 YFFKWHBGEYEHEV-CYBMUJFWSA-N 392.864 4.308 5 50 GIBA CC(C)CCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398821 KSNBEOOSCBVWLW-UHFFFAOYSA-N 387.483 4.000 5 50 GIBA O=C(Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 1136726 RSESSBKUUOGBBV-UHFFFAOYSA-N 376.368 4.204 5 50 GIBA Cc1ccc(NC(=O)COc2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])cc2)cc1 4820345 MEOGTOOTXHVCTP-GHXNOFRVSA-N 393.399 4.388 5 50 GIBA O=[N+]([O-])c1ccc(-c2nnc(SC[C@@H](O)c3ccc(F)cc3)s2)cc1 5715820 FBZDMQZHMSSGDZ-CQSZACIVSA-N 377.422 4.078 5 50 GIBA Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c2ccccc2n1 18121970 BDDPXUZRHMQXHU-UHFFFAOYSA-N 399.454 4.326 5 50 GIBA CCOC(=O)c1cnc(Oc2ccc(Oc3ccccc3)cc2[N+](=O)[O-])nc1C 1875309074 PRDYBABCELBTSB-UHFFFAOYSA-N 395.371 4.455 5 50 GIBA Cc1c(OCC(=O)c2ccc3c(c2)OCO3)ccc2c1oc(=O)c1ccccc12 1140317 WAFNXUOMGLINJO-UHFFFAOYSA-N 388.375 4.245 5 50 GIBA biogenic O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1cccc(F)c1 2761837 RKCQGXRCVAKOBE-UHFFFAOYSA-N 390.264 4.265 5 50 GIBA COc1ccc(OCC(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 941365 NDCXUJOBMIKDRQ-UHFFFAOYSA-N 392.411 4.216 5 50 GIBA COc1ccc(NC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 959526 DPCVGNSNBMRYML-UHFFFAOYSA-N 392.367 4.075 5 50 GIBA O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1cccc([N+](=O)[O-])c1 1211024 FFMNPRBGWPOJEJ-UHFFFAOYSA-N 387.351 4.016 5 50 GIBA O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1146374 YYDLGMIOOUKGLN-UHFFFAOYSA-N 385.763 4.346 5 50 GIBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1 654247 IFVIGNROMGMRCE-UHFFFAOYSA-N 385.449 4.112 5 50 GIBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1132669 ARSNAJDQJNXACV-UHFFFAOYSA-N 388.383 4.156 5 50 GIBA COC(=O)c1ccc(NCCc2csc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 4051729 ATUMNUCZSFGITC-UHFFFAOYSA-N 397.456 4.468 5 50 GIBA COc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 225697196 XGOLOILJHUAWEM-UHFFFAOYSA-N 398.444 4.066 5 50 GIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccnc1 1175576 MABGLLZPBOCJGA-UHFFFAOYSA-N 385.383 4.095 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1O 4827598 VJMQVSYPSNIZGQ-SDNWHVSQSA-N 385.379 4.170 5 50 GIBA COc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1055232 SKOZIOWGSAPBDM-UHFFFAOYSA-N 383.429 4.298 5 50 GIBA Nc1c(C(=O)N(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3878382 XBYNEMNYEWMBNA-UHFFFAOYSA-N 378.344 4.064 5 50 GIBA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1 1208179 CXALBRBYRYJQTG-UHFFFAOYSA-N 375.340 4.361 5 50 GIBA biogenic Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])cc3C(=O)O)cs2)cc1 4051753 AMASNNBSYICKAN-UHFFFAOYSA-N 383.429 4.380 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 670465 YPVLMDHAHONSJU-VIFPVBQESA-N 385.203 4.316 5 50 GIBA Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)C)c1C 16676424 JFHBEIXGXMSSEX-JXMROGBWSA-N 388.445 4.490 5 50 GIBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 4687546 HKLDEQIBNVTKDL-KRWDZBQOSA-N 396.491 4.217 5 50 GIBA Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]1[N+](=O)[O-] 239284716 BYFACTYMSQYNAL-FGYAAKKASA-N 383.448 4.006 5 50 GIBA C[C@]1(c2ccccc2)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 365218061 HMESBLRKMDLPEB-RUZDIDTESA-N 398.462 4.069 5 50 GIBA CC(=O)Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 1123495 FQILEXGIOPDEBI-UHFFFAOYSA-N 390.808 4.069 5 50 GIBA Cc1ncc([N+](=O)[O-])n1CCSc1nnc(SCc2ccccc2)s1 2497681 BFAOXYIYAKLMTL-UHFFFAOYSA-N 393.519 4.036 5 50 GIBA O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 15009888 AMRWWHVYZJGSON-NVNXTCNLSA-N 390.804 4.190 5 50 GIBA O=[N+]([O-])c1cc([N+](=O)[O-])c([N]N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 100390001 HHEAADYXPMHMCT-UHFFFAOYSA-N 394.323 4.400 5 50 GIBA in-vitro CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc([N+](=O)[O-])c1 949033 YUPBMHBOGCDTQR-UHFFFAOYSA-N 381.388 4.462 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 1164542 ZDHVOKNEOWXURW-UHFFFAOYSA-N 395.289 4.308 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccc(COc2cccc(Cl)c2)c1 4151169 UCMHNLCEDNLORC-UHFFFAOYSA-N 383.791 4.475 5 50 GIBA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1109917 NADBRSAHUXICCF-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2053744 LYNFBTBCJBDUHP-UHFFFAOYSA-N 393.852 4.164 5 50 GIBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4818993 BFIJADZLZMXMDX-UHFFFAOYSA-N 398.221 4.003 5 50 GIBA Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4041778 UGBFDORBAJVMKA-UHFFFAOYSA-N 393.237 4.463 5 50 GIBA CCN(CC)C[C@H](O)Cn1c(C)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 2488395 BOLSJMUPEQCJLH-IBGZPJMESA-N 381.476 4.228 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)oc2ccccc12 1175958 ZTSLJJBQAYIGHU-UHFFFAOYSA-N 389.820 4.430 5 50 GIBA O=C(c1ccc([N+](=O)[O-])c(Br)c1)N(c1ccccn1)c1ccccn1 771821 YLZSEFIGKJCIKK-UHFFFAOYSA-N 399.204 4.126 5 50 GIBA COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1144595 AWAISTREHCXIAO-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1Cl 4740908 OEAYCTBGVJTTSE-UHFFFAOYSA-N 394.258 4.172 5 50 GIBA CCOc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1[N+](=O)[O-] 4998904 OSGOLUKAUCUZJN-UHFFFAOYSA-N 383.448 4.482 5 50 GIBA C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@@]12CCC[C@H]3C[C@@H](C[C@H]31)C2 248139103 PSYKYYSSRDXQRT-WOTZFJLUSA-N 398.551 4.363 5 50 GIBA O=C(OCC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Nc1ccccc1 21085434 RJDYDJJALRJUGN-UHFFFAOYSA-N 376.368 4.378 5 50 GIBA Cc1nsc(C)c1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1875253586 BYOQSEFHBSVINU-UHFFFAOYSA-N 383.429 4.390 5 50 GIBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Br)cc1 4689058 RPQIHPMKASFETA-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 215895782 IHKFVYKFPNZJLP-UHFFFAOYSA-N 399.450 4.123 5 50 GIBA Cc1ccc2cc(-c3c4cn[nH]c4nc4c3oc3cc(O)ccc34)c(=O)[nH]c2c1 218213190 UDUVFUHCKAZEPG-UHFFFAOYSA-N 382.379 4.380 5 50 GIBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 1310632 GQLRXYUUBUTKSI-UHFFFAOYSA-N 393.428 4.182 5 50 GIBA O=C(c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4810187 ZHCRDOPTNMQCMA-UHFFFAOYSA-N 388.427 4.195 5 50 GIBA O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 55438068 SPOACHSGUGAFBR-UHFFFAOYSA-N 380.473 4.041 5 50 GIBA CC1CCN(c2ccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)cc2)CC1 731496289 IMCDAGUMTDHTAI-NRFANRHFSA-N 394.475 4.049 5 50 GIBA COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])cc1 4866881 PJGRWCQYDDVUKJ-NTCAYCPXSA-N 399.406 4.473 5 50 GIBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 1230639 MQBCEGHVULAGHW-UHFFFAOYSA-N 381.624 4.356 5 50 GIBA COc1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 4062830 DOKFYALGHJFBTA-UHFFFAOYSA-N 398.396 4.304 5 50 GIBA O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(F)cc1 1109145 HPTQEENVGGCLGJ-UHFFFAOYSA-N 394.358 4.248 5 50 GIBA aggregator O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 4957255 QLMCXRAZVCMKII-UHFFFAOYSA-N 380.731 4.068 5 50 GIBA Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 5063815 OXMVMRQBSQOMRT-UHFFFAOYSA-N 393.237 4.300 5 50 GIBA Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(Cl)cc1 5062886 WAHVQTBMUMKPEO-UHFFFAOYSA-N 385.811 4.445 5 50 GIBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 2835571 HSWNJEIUOWKKHB-UHFFFAOYSA-N 391.811 4.004 5 50 GIBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccccc1 4158840 RBGBHKBLHATRQE-UHFFFAOYSA-N 383.429 4.008 5 50 GIBA Cc1ccc2cccc(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2n1 22228678 PAJXTCVWVMMZQN-UHFFFAOYSA-N 396.346 4.303 5 50 GIBA O=[N+]([O-])c1ccc(-c2ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc2)cc1 3879020 OQZGMYDXXNFPOD-UHFFFAOYSA-N 377.316 4.450 5 50 GIBA Cc1nn(C(=O)COc2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1471310 FXNMZUQYFPIYMV-UHFFFAOYSA-N 383.429 4.279 5 50 GIBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 869536 XHQJHTDNPQSCNV-UHFFFAOYSA-N 380.731 4.068 5 50 GIBA Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1 1183836 VUEHVNDUSIZQCZ-UHFFFAOYSA-N 384.775 4.145 5 50 GIBA O=C(CCCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 4040807 XMCKSZYFZLTJKO-UHFFFAOYSA-N 379.210 4.155 5 50 GIBA CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC 245296169 KZUFRLKJCLWSAW-SKPFHBQLSA-N 390.544 4.440 5 50 GIBA biogenic CCOc1cc(C=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1178530 PNKANVDZWYXDGW-UHFFFAOYSA-N 380.194 4.148 5 50 GIBA CC(=O)Nc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 3880291 LTOJMYROGYMTRG-UHFFFAOYSA-N 392.419 4.163 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCc2ccccc2)c1 4689097 WQQBDPQGJHTZKI-UHFFFAOYSA-N 378.384 4.435 5 50 GIBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4754510 WHXRATBTHRDTFW-UHFFFAOYSA-N 377.425 4.389 5 50 GIBA CC(C)c1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 1175507 JJNJNKUNDMZUKC-UHFFFAOYSA-N 377.853 4.498 5 50 GIBA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc([N+](=O)[O-])c1 1195835 FUXWHCQQFKUUIF-SFHVURJKSA-N 390.395 4.006 5 50 GIBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc4ccccc34)CC2)cc1 3878792 WACPGPQEQVFMNB-UHFFFAOYSA-N 392.484 4.267 5 50 GIBA Cc1c(CC(=O)Nc2ccccc2-c2ncc3n2CCCC3)cccc1[N+](=O)[O-] 240626813 HJFPQUOKKYYFHJ-UHFFFAOYSA-N 390.443 4.284 5 50 GIBA CCc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)c(C)c2oc1=O 1135529 BBSHJCDVMULMHY-UHFFFAOYSA-N 383.400 4.468 5 50 GIBA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 8275343 DMKQWZZNHAWVFX-UHFFFAOYSA-N 383.383 4.240 5 50 GIBA Cc1ccc(CSCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 2982410 WTNQYEWFIUPMJT-UHFFFAOYSA-N 390.530 4.186 5 50 GIBA COC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1207467 NMRFJPCEOWQHHS-UHFFFAOYSA-N 392.367 4.426 5 50 GIBA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4702865 OTDNAUOMSWNMEF-SECBINFHSA-N 385.203 4.316 5 50 GIBA O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n12 754922 DLGWCHCLGDKPKK-UHFFFAOYSA-N 394.390 4.485 5 50 GIBA CCN(CC)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] 4819283 UTVHTSRHMUGJNU-UHFFFAOYSA-N 376.482 4.447 5 50 GIBA O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)n[n+]2-c2cccc3ccccc23)cc1 16493517 DKXKXXOHLYDSPI-UHFFFAOYSA-N 394.414 4.272 5 50 GIBA CCOc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 5061505 CDTYBAIRYIEVLU-UHFFFAOYSA-N 390.395 4.477 5 50 GIBA O=C(O)c1ccccc1Sc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 3616451 IKWFQXGEZRZQLT-UHFFFAOYSA-N 388.279 4.371 5 50 GIBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccccc1Cl 4601696 JVCRIHAWKFXDJO-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA Cc1ccc(SCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 4702031 NXPMXPZEVPNGHC-UHFFFAOYSA-N 376.503 4.045 5 50 GIBA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4725103 WFTOLXCVOULYRZ-UHFFFAOYSA-N 377.853 4.498 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C)cc1Br 5041849 IKEAPAIBTAVEIS-UHFFFAOYSA-N 396.266 4.483 5 50 GIBA Cc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 5044387 JLTNQBKUXUXAAC-UHFFFAOYSA-N 380.448 4.277 5 50 GIBA aggregator COCCCNc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 4838977 ZUYBFSYBLMVYOD-UHFFFAOYSA-N 377.828 4.257 5 50 GIBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(I)cc2)c1 2852958 GQYSTFYIOPKXGZ-UHFFFAOYSA-N 399.213 4.008 5 50 GIBA Cc1ccc(OCCN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 1114571 CJATZNWOSVKALC-ATVHPVEESA-N 384.413 4.019 5 50 GIBA COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4040789 CYALUACTDZXOGU-RUDMXATFSA-N 377.194 4.018 5 50 GIBA CC(=O)N1Cc2ccc(NC(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2C1 2325717509 WWNPFNDJPYCLLD-UHFFFAOYSA-N 396.447 4.398 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3 1165592 LDBSSNOJCHZFDC-UHFFFAOYSA-N 395.411 4.476 5 50 GIBA O=C(O)C[C@@H](NC(=O)CCC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 4686816 VCSIVGWPJHXVMI-MRXNPFEDSA-N 382.844 4.241 5 50 GIBA C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 4872315 RAGATRMNHXRQMA-NFBKMPQASA-N 398.418 4.090 5 50 GIBA COc1ccc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1138000 WEHKQMJQHDTRCD-UHFFFAOYSA-N 385.601 4.272 5 50 GIBA COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(F)cc1 1073266 NFFYREIDMULAII-VOTSOKGWSA-N 382.185 4.423 5 50 GIBA O=[N+]([O-])c1ccc(/C=C2\CCC[C@H]3C2=NN[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 5042907 SJMNREBVDHZEOD-BDZHWRPJSA-N 378.388 4.387 5 50 GIBA CCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 826813 XEDNUHBHHIIIAM-INIZCTEOSA-N 381.417 4.062 5 50 GIBA CC(C)(C)c1ccc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 4703581 AMUICVCZGQILGU-UHFFFAOYSA-N 375.856 4.388 5 50 GIBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCCc1ccccc1 2890891 MENDLRBAFZIMIM-UHFFFAOYSA-N 399.497 4.169 5 50 GIBA CCc1cc(Br)c([N+](=O)[O-])c(N[C@H]2C[C@@](OC)(C(F)(F)F)C2)c1 2325827854 RVECTBUKWLGYAO-GMZHKTEUSA-N 397.191 4.442 5 50 GIBA Cc1cc(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 2871289 YSPZZVINHSUKPF-UHFFFAOYSA-N 375.380 4.491 5 50 GIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3ccccc3o2)c1 1207319 JOORPZXOTPQOTD-UHFFFAOYSA-N 389.367 4.421 5 50 GIBA COC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 2767736 OZUHMBVEGWMDJF-UHFFFAOYSA-N 396.424 4.291 5 50 GIBA C[C@@H]1C[C@@H](C)CN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)C1 4264095 LYIIIUYETRXFHT-HZPDHXFCSA-N 377.444 4.381 5 50 GIBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 1182534 UQUHPSOZGFXUAK-UHFFFAOYSA-N 391.452 4.240 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1CCc1ccccc1 4559403 IVNUVGKZCQOXOL-ZRDIBKRKSA-N 387.395 4.311 5 50 GIBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(Cl)cc1 3833026 TWBRQZNVHLVQFJ-UHFFFAOYSA-N 380.731 4.068 5 50 GIBA O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 674477 IIKFKRZGVLCHNL-UHFFFAOYSA-N 389.820 4.389 5 50 GIBA COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)c([N+](=O)[O-])cc1OC 1231666 DGZRJNNCKUGHIJ-UHFFFAOYSA-N 380.444 4.173 5 50 GIBA COCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 4757965 OITLERLDMHQWFC-UHFFFAOYSA-N 377.828 4.257 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 2325871010 YPIDRWMEZQFFAA-UHFFFAOYSA-N 377.322 4.333 5 50 GIBA COc1cc2c(cc1NC(=O)CCCn1cc([N+](=O)[O-])cn1)oc1ccccc12 4689479 WWZMTOVNSYASHG-UHFFFAOYSA-N 394.387 4.118 5 50 GIBA O=C(COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(F)cc1 1109217 CHOOMIWGGHJKOD-UHFFFAOYSA-N 394.358 4.248 5 50 GIBA CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1 2502164 VCGYNRNTEBKAIL-UHFFFAOYSA-N 375.435 4.185 5 50 GIBA O=C1N[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)Nc2ccccc21 3107827 LGRAUNPKMPPZRE-FQEVSTJZSA-N 375.384 4.028 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1cccc([N+](=O)[O-])c1 4311128 BJBLPDFWFRELOZ-OUKQBFOZSA-N 385.379 4.170 5 50 GIBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 1217501 COXLHSAPSSSZOR-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc3c(cc2N1)OCO3 4912354 ONJPBTYMAUAOSL-AWEZNQCLSA-N 378.340 4.058 5 50 GIBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 12649368 JRURHCRZVMHPIS-FUHWJXTLSA-N 385.851 4.005 5 50 GIBA O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c2c1CCCC2 2267662 NOIGSKFFWGWUDO-UHFFFAOYSA-N 382.328 4.281 5 50 GIBA O=C(OCc1ccc(C(=O)Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 2845180 YXWXKCWITFCFFW-UHFFFAOYSA-N 377.352 4.171 5 50 GIBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@@H]2CCCO2)cc1Cl 4873339 OSGLXYXKUQNVGU-HNNXBMFYSA-N 389.839 4.400 5 50 GIBA O=C(Nc1ccccc1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5027993 SJTQVZRKKZWALH-UHFFFAOYSA-N 394.475 4.438 5 50 GIBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1 247358590 YRDPOYBSICWRKN-YXUGBTPSSA-N 398.846 4.430 5 50 GIBA CCOc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 4740012 HXUGMKZYNNQLCR-UHFFFAOYSA-N 389.458 4.334 5 50 GIBA O=C(CSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 4357185 CWCPVQCHJTZGBP-UHFFFAOYSA-N 395.440 4.058 5 50 GIBA O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Br)cc1 2816094 LQDODMQBDOSJKQ-UHFFFAOYSA-N 378.225 4.267 5 50 GIBA CC(C)(C)OC(=O)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4299373 BJFXAYXIJMFMFK-UHFFFAOYSA-N 389.374 4.061 5 50 GIBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 4721462 CFJIAXJBVRIBOT-CQLMTFPYSA-N 383.448 4.068 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 1185437 ZDGYIVKGUQUMLY-UHFFFAOYSA-N 383.173 4.147 5 50 GIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1cccc(Cl)c1 2991429 MMMHOXGEKLMNPP-RMKNXTFCSA-N 376.865 4.311 5 50 GIBA COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 4368228 RLKFCWXTMAXTNW-GFCCVEGCSA-N 378.812 4.280 5 50 GIBA Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1 4071428 ZJVYZHVTAQAKNZ-NSHDSACASA-N 379.210 4.072 5 50 GIBA Cc1ccc(SCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 2844387 BNLNFWXJBMYWOW-UHFFFAOYSA-N 386.458 4.299 5 50 GIBA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2850355 VFBUBWXGCBLCDK-VIFPVBQESA-N 385.203 4.316 5 50 GIBA CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2995680 WWAYDPQTYYEABM-ONNFQVAWSA-N 388.807 4.467 5 50 GIBA Cc1cc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)ccc1[N+](=O)[O-] 1175713 STLNSQBLEWDCHC-UHFFFAOYSA-N 391.452 4.282 5 50 GIBA O=[N+]([O-])c1cc(Cl)c(Cl)c(Br)c1I 96024833 ZZODWVDFQWPQSC-UHFFFAOYSA-N 396.793 4.269 5 50 GIBA Cc1nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] 328596407 NNHJDLNULNRCDN-MEDUHNTESA-N 381.354 4.283 5 50 GIBA Cc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 1079177 CKUCWWGYZHBERP-UHFFFAOYSA-N 380.404 4.004 5 50 GIBA O=c1oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2c2ccccc12 2989972 NYTGZUIPCHEHIV-UHFFFAOYSA-N 386.812 4.367 5 50 GIBA CC(C)c1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 13322849 ADMNEWORYPBHIH-UHFFFAOYSA-N 382.464 4.068 5 50 GIBA COc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 4419913 KWSHBSPBYZXYJI-SDNWHVSQSA-N 399.406 4.473 5 50 GIBA O=C(Nc1ccc(Br)c(Cl)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12 4686780 WRUKEQKTGUUGKW-UHFFFAOYSA-N 395.600 4.139 5 50 GIBA Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C 4042999 OMEHDPMHIICHNW-UHFFFAOYSA-N 393.237 4.300 5 50 GIBA Cc1ccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1Cl 4706690 QVAVAXFGIGDMCS-OAHLLOKOSA-N 389.839 4.400 5 50 GIBA CC(C)(C)C(=O)Nc1c(Br)cc(Br)c(F)c1[N+](=O)[O-] 95217862 JJFQZNJDTGASIG-UHFFFAOYSA-N 398.026 4.244 5 50 GIBA in-vitro Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 1186725 NRYGVRRTIUWZOC-UHFFFAOYSA-N 381.413 4.469 5 50 GIBA C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@@]12CCC[C@@H]3C[C@@H](C[C@H]31)C2 248139093 PSYKYYSSRDXQRT-PHTMTLDSSA-N 398.551 4.363 5 50 GIBA CC[C@H]1[C@@H]2[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]3C(=O)CC[C@@H]3[C@H]2C[C@H]1C 71786368 XHRZOGCKMQFCIM-RWSKVKJDSA-N 385.460 4.418 5 50 GIBA CCOc1cc2c3ccc(OC)c(OC)c3c[n+](C)c2c2cc3c(cc12)OCO3 13385539 UJVQDDLAYPRWNM-UHFFFAOYSA-N 392.431 4.115 5 50 GIBA biogenic,in-vitro CCOc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(C)c2[N+](=O)[O-])cc1 4601010 JAMIREABCBRHQD-UHFFFAOYSA-N 381.392 4.285 5 50 GIBA CCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)ccc2ccccc12 6591587 ZAAPIDOAJKMHRI-QFIPXVFZSA-N 392.411 4.289 5 50 GIBA O=[N+]([O-])c1cccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 4724526 SSXJTARTISNLEN-UHFFFAOYSA-N 379.504 4.439 5 50 GIBA O=C1c2ccc(-c3nc4ccc([N+](=O)[O-])cc4o3)cc2C(=O)N1Cc1ccccc1 1063832 JWJRCIYCPSHJDQ-UHFFFAOYSA-N 399.362 4.199 5 50 GIBA O=[N+]([O-])c1cc([N+](=O)[O-])c2oc(-c3ccccc3)c(Br)c2c1O 2940506 HSRCLZZBSKZNHY-UHFFFAOYSA-N 379.122 4.384 5 50 GIBA COc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 4837809 DGNQHDMHTHKQGD-UHFFFAOYSA-N 396.852 4.137 5 50 GIBA O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)c1cccs1 5062112 UADOWZBOXZTZQH-SFQUDFHCSA-N 390.424 4.461 5 50 GIBA O=C1c2ccc(-c3nc4ccc([N+](=O)[O-])cc4o3)cc2C(=O)N1C1CCCCC1 2875195 MDGPLZWWJBTNTJ-UHFFFAOYSA-N 391.383 4.332 5 50 GIBA COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 23280648 HFWYKTDREBETAK-UHFFFAOYSA-N 394.427 4.430 5 50 GIBA CN(C)Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 435934329 HFWWZPIEVPDAJX-UHFFFAOYSA-N 389.430 4.134 5 50 GIBA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 16488798 INDIHWINDJCCGR-GASCZTMLSA-N 381.432 4.250 5 50 GIBA O=C(O)c1ccccc1NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2266414 WBVRXGQLLWNFHD-UHFFFAOYSA-N 376.777 4.413 5 50 GIBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSc1ccc(Cl)cc1 5123776 NZJRLCUXDKINOU-UHFFFAOYSA-N 396.921 4.390 5 50 GIBA O=C(c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 1110048 ALWYYGCCXGNLKQ-UHFFFAOYSA-N 376.416 4.074 5 50 GIBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 4687549 HKLDEQIBNVTKDL-QGZVFWFLSA-N 396.491 4.217 5 50 GIBA Cn1ncc2c(-c3cc4ccccc4nc3O)c3oc4cc(O)cc(O)c4c3nc21 409415519 NIAXOKOORRVCBB-UHFFFAOYSA-N 398.378 4.200 5 50 GIBA biogenic Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 17081620 BFZKTXSLUQOALQ-UHFFFAOYSA-N 398.850 4.291 5 50 GIBA O=C(Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1 1124606 KEBNZVFEUFKTNB-UHFFFAOYSA-N 379.347 4.239 5 50 GIBA O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 1124916 LHENMGBPKLRGOL-UHFFFAOYSA-N 383.425 4.148 5 50 GIBA Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)cc1I 1121728 UDUQSJQNLPNXPW-UHFFFAOYSA-N 396.184 4.069 5 50 GIBA O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1F 170607502 DOCLTZDTDHGEKL-PBHICJAKSA-N 384.329 4.061 5 50 GIBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1)c1ccccc1 5065152 MEDUAHQQOYXMKJ-UHFFFAOYSA-N 376.416 4.269 5 50 GIBA CCCc1[nH]nc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] 170623542 JZCIIWYOXOTXBR-GOSISDBHSA-N 390.443 4.058 5 50 GIBA Cc1ccc2[nH]c(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 2730863 GWSPTAVQZDPNRK-UHFFFAOYSA-N 399.457 4.120 5 50 GIBA Cc1nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)ccc1[N+](=O)[O-] 328596405 NNHJDLNULNRCDN-BDJLRTHQSA-N 381.354 4.283 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 993949 GTUITAFPQKUNEL-LLVKDONJSA-N 388.445 4.210 5 50 GIBA Cc1nn([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1[N+](=O)[O-] 1067454 KTTDWTUAXAQCOA-SECBINFHSA-N 390.749 4.280 5 50 GIBA O=C(CSc1ccc(Br)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 2390409 BGLCBWUVGSXUDC-UHFFFAOYSA-N 385.214 4.227 5 50 GIBA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 230209900 YWXMDBGIGIPQLG-PZPWOCDFSA-N 395.459 4.160 5 50 GIBA O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 4619231 CMZYESJIAAHVHE-UHFFFAOYSA-N 387.745 4.109 5 50 GIBA COc1cccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])c1 4622069 CQNDSZSQCODMQZ-UHFFFAOYSA-N 383.408 4.264 5 50 GIBA CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 1145130 DYEGVGAHMWAISY-UHFFFAOYSA-N 393.237 4.246 5 50 GIBA Cc1cccc(NC(=O)c2cnn3c(-c4cccc([N+](=O)[O-])c4)ccnc23)c1C 2799754 DBAIJWPEDLVBEJ-UHFFFAOYSA-N 387.399 4.174 5 50 GIBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 3067854 ZLTLWQREWGVWAM-HNNXBMFYSA-N 382.441 4.301 5 50 GIBA O=C(Nc1cccc2ncccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5027973 FXULUUFWTGSIRX-UHFFFAOYSA-N 376.416 4.386 5 50 GIBA O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc([N+](=O)[O-])cc1 13548866 XQYDGDBHXBJWKY-UHFFFAOYSA-N 393.380 4.077 5 50 GIBA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OC)C1 1112916 YGMROJUGJUCLDP-LLVKDONJSA-N 388.445 4.210 5 50 GIBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 4311538 NQZIVDGKGZRYII-UHFFFAOYSA-N 395.459 4.354 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2ccccc2)cc1 4870062 LAAWBBHKJIRAGV-UHFFFAOYSA-N 378.384 4.435 5 50 GIBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 1174592 VUUBZKWYFSVINM-UHFFFAOYSA-N 393.852 4.082 5 50 GIBA Cc1ccc(-c2cc(=O)oc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 1181803 WSAYBXLJYIYJCN-UHFFFAOYSA-N 387.189 4.348 5 50 GIBA Cc1nc(CC2CC2)oc1C(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] 789411704 UVXOWGXGQHKQRA-HXUWFJFHSA-N 393.399 4.185 5 50 GIBA CCCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 2740823 FXRBRILVNWMDNF-UHFFFAOYSA-N 376.796 4.457 5 50 GIBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 4754499 PRSSGNJFRJGSBG-UHFFFAOYSA-N 377.425 4.389 5 50 GIBA CCOc1ccc(NC(=O)c2ccc(Br)cc2F)c([N+](=O)[O-])c1 4159131 KJVDCOVEXIHFFY-UHFFFAOYSA-N 383.173 4.147 5 50 GIBA Nc1ccc(Oc2ccc(Oc3ccc(N)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 3878201 PBRWAQLRJROVMB-UHFFFAOYSA-N 382.332 4.252 5 50 GIBA Cc1cccc([C@@H]2N[C@H](c3cccc(C)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1 217543025 OGCYJIVSWQMNJB-YRPNKDGESA-N 383.448 4.006 5 50 GIBA O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1174494 BQNFFFZNRFPREH-UHFFFAOYSA-N 379.155 4.260 5 50 GIBA O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 4189036 KUQMDLMLZMSJPP-UHFFFAOYSA-N 378.344 4.499 5 50 GIBA N=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1nccs1 4580181 GWKKWKRFTOLTCW-PHUAOCSASA-N 398.425 4.367 5 50 GIBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2573595 LRCWBLBDCLMVJN-UHFFFAOYSA-N 389.673 4.428 5 50 GIBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4498508 YXNDYSSFMZGRMF-UHFFFAOYSA-N 398.221 4.003 5 50 GIBA COc1cc(CNc2ccc(Br)cc2C)c([N+](=O)[O-])cc1OC 1214907 SMBDSFHJTAWCDO-UHFFFAOYSA-N 381.226 4.295 5 50 GIBA O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 4820793 UQPXNUJZQZJWOT-UHFFFAOYSA-N 386.795 4.260 5 50 GIBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 4842759 SUBKCUQRSIWBIX-MRXNPFEDSA-N 376.412 4.268 5 50 GIBA CC(=O)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)OCO2 170617669 JBCWZNBHMAUXEG-UHFFFAOYSA-N 397.170 4.085 5 50 GIBA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)cc(OC)c1O 218293808 NYQNDTRVYQDQLF-UHFFFAOYSA-N 391.383 4.261 5 50 GIBA O=c1oc(-c2cc([N+](=O)[O-])ccc2Cl)nc2ccc(Br)cc12 2293351 VFHUELRQOFPRCZ-UHFFFAOYSA-N 381.569 4.179 5 50 GIBA CCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1166788 IQLMNGNHSYBGIO-UHFFFAOYSA-N 387.399 4.143 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Br)ccc2o1 4868028 DRZBWJDZERAVRA-UHFFFAOYSA-N 391.177 4.364 5 50 GIBA Cc1cccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] 1133181 MZVNVINRGIVWHE-UHFFFAOYSA-N 388.836 4.251 5 50 GIBA Cc1oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1 1296628 HZSADKRNPPIODV-UHFFFAOYSA-N 376.708 4.148 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1cccc([N+](=O)[O-])c1 4672424 GUIBKBLOJUUBCT-JLHYYAGUSA-N 385.379 4.170 5 50 GIBA Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 677959 VCYDFRKCAAGOLJ-UHFFFAOYSA-N 380.385 4.420 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C)c1CC 1200227 GBZGNBAAJCQVDO-UHFFFAOYSA-N 376.434 4.265 5 50 GIBA CN(C(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 1069499 FMAOQSXRNOXYST-UHFFFAOYSA-N 375.384 4.124 5 50 GIBA Cc1c([N+](=O)[O-])ccc2cc(C(=O)NC[C@@H](O)c3cccc4ccccc34)[nH]c12 2325862424 TXTDTKBKSVXKMR-HXUWFJFHSA-N 389.411 4.001 5 50 GIBA O=C(Cc1ccc(Br)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 9089800 MAPKMSHAYCQPBP-UHFFFAOYSA-N 392.234 4.148 5 50 GIBA Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] 1206126 OXETXTZIRKKHBD-UHFFFAOYSA-N 391.362 4.029 5 50 GIBA O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(Cc4ccccc4)CC3)o2)cc1 4986888 GXOHZSWYTYOKPE-UHFFFAOYSA-N 377.444 4.173 5 50 GIBA CCCc1cc(C(=O)OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 668779 IZLAJTUJYZJOAN-UHFFFAOYSA-N 382.825 4.301 5 50 GIBA Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccc([N+](=O)[O-])cc1 1401296 VODCDDLPMSPNJT-UHFFFAOYSA-N 392.202 4.043 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 8491314 QYCYQNZRESYALT-UHFFFAOYSA-N 384.770 4.207 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccccc2)cc1 861622 SRRORRMZAYEYPV-NTEUORMPSA-N 387.395 4.499 5 50 GIBA COc1ccccc1[C@@H]1[C@@H](Oc2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 2758729 QKVLMIXHPFSYCW-NHCUHLMSSA-N 390.395 4.139 5 50 GIBA O=C(O[C@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccc([N+](=O)[O-])cc1 1406580 DSQVOWOSMHYSOX-QRRJMBGHSA-N 382.391 4.026 5 50 GIBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1215873 BOVBBSUARWHZEH-UHFFFAOYSA-N 388.383 4.156 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)oc2ccccc12 4724753 TVBFMCGAJLGQLK-UHFFFAOYSA-N 389.820 4.430 5 50 GIBA COc1ccc(OC)c(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)c1 1184194 IFDNGMGPYSWHTK-UHFFFAOYSA-N 399.428 4.296 5 50 GIBA O=[N+]([O-])c1cccc(/C=C2\CCC[C@H]3C2=NN[C@@H]3c2cccc([N+](=O)[O-])c2)c1 5042919 RGRTYFKGIAIUIH-FQOLNDBWSA-N 378.388 4.387 5 50 GIBA CC(=O)c1sc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)nc1C 13961247 CGMVIKXLERMDJD-UHFFFAOYSA-N 379.825 4.025 5 50 GIBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 687025 KONHBOXXPCOFOU-JTQLQIEISA-N 388.445 4.128 5 50 GIBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1185426 VFCGNNFKGHPFEF-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA CC[C@@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1cccc([N+](=O)[O-])c1 301501013 AVNIQEYGRUXRAO-QGZVFWFLSA-N 375.432 4.499 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 1102612 UFSJCGVYRVNZLX-UHFFFAOYSA-N 388.445 4.354 5 50 GIBA O=C(NCc1ccccc1Cl)c1ccc(COc2ccccc2[N+](=O)[O-])o1 2763543 MRCPYBSYIOAUPE-UHFFFAOYSA-N 386.791 4.350 5 50 GIBA CC1CCN(c2c([N+](=O)[O-])c(=O)n(Cc3ccccc3)c3ccccc23)CC1 4653778 IVPVXSFILWUAFW-UHFFFAOYSA-N 377.444 4.194 5 50 GIBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 4591648 REBAHXNKUKUMLC-UHFFFAOYSA-N 375.793 4.121 5 50 GIBA CCCCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1801416 SNZZYOITBFPTPZ-UHFFFAOYSA-N 376.796 4.457 5 50 GIBA CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@@H](F)c1ccccc1 769433235 AQTISYRZIWUOBF-SFHVURJKSA-N 398.394 4.093 5 50 GIBA O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1184598 MVVRSPQPHIRVNP-UHFFFAOYSA-N 389.411 4.418 5 50 GIBA COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 1053033 STCNQJLDNGWZOK-UHFFFAOYSA-N 376.412 4.446 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)cc1Cl 1179538 MQLRYHNYSUBNSM-QPJJXVBHSA-N 396.255 4.428 5 50 GIBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1 809852734 JTYLKQBIJAKNSV-UHFFFAOYSA-N 399.211 4.218 5 50 GIBA Cc1ccc(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 2868605 FSDCAQXDNVFZCE-UHFFFAOYSA-N 375.380 4.491 5 50 GIBA CN(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 4331863 MUGDWWUEFIZSEM-NRFANRHFSA-N 388.427 4.432 5 50 GIBA O=[N+]([O-])c1ccc(-c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)cc1 3879042 MJDHUXYFFWLEQX-UHFFFAOYSA-N 377.316 4.450 5 50 GIBA COc1ccc2occ(-c3c4cn[nH]c4nc4c3oc3cc(O)ccc34)c(=O)c2c1 217827813 DIQADOKMSQJCJS-UHFFFAOYSA-N 399.362 4.345 5 50 GIBA biogenic O=C(COc1ccc(Cl)cc1Br)Nc1ccc([N+](=O)[O-])cc1 4700052 WMLRKFKDNWBYLG-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA C[C@H](Nc1ncccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)c[nH]1 170616194 NAYVNFXLZINFQX-JTQLQIEISA-N 388.225 4.316 5 50 GIBA Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1108432 RACZJVWXMXMGKP-UHFFFAOYSA-N 382.441 4.299 5 50 GIBA Cc1cc(C(F)F)nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(N)c12 6400173 WDTFXCQWZFQMQJ-UHFFFAOYSA-N 378.360 4.285 5 50 GIBA COc1ccccc1Oc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1135431 FDFIPSWAFNLLOD-UHFFFAOYSA-N 390.351 4.196 5 50 GIBA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 2053739 WMNPHIYMBSXWCA-UHFFFAOYSA-N 391.424 4.040 5 50 GIBA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)c([N+](=O)[O-])c1 13957953 ZAOOBKLTMREFGO-UHFFFAOYSA-N 378.215 4.355 5 50 GIBA C[C@@](CC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)O)c1ccc(Cl)c(Cl)c1 1875324098 HKNNKYMONNIOCK-KRWDZBQOSA-N 397.214 4.273 5 50 GIBA COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c(C)c1 2796599 OZNFGSQCSCPAMI-UHFFFAOYSA-N 394.431 4.026 5 50 GIBA COC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccccc1[N+](=O)[O-] 4777412 PXICEIOUFOXCHE-UHFFFAOYSA-N 396.424 4.291 5 50 GIBA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2761355 KZWDUDGTQRZQAW-MRXNPFEDSA-N 398.337 4.332 5 50 GIBA O=[N+]([O-])c1ccc(Sc2nnc(Nc3ccccc3)s2)c([N+](=O)[O-])c1 18901382 QOZKLZQHYQOWGG-UHFFFAOYSA-N 375.391 4.249 5 50 GIBA O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1[N+](=O)[O-] 4755219 HZOOZGVUDFATGO-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 170624835 YWXMDBGIGIPQLG-WIEQDCTASA-N 395.459 4.160 5 50 GIBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)COc1ccc(Cl)cc1Cl)CCC2 247537152 AKHPLUPJRABLGT-WTBBCNCBSA-N 387.327 4.325 5 50 GIBA biogenic,in-vitro COc1ccc(CNc2ccc([N+](=O)[O-])c(NCc3ccc(OC)cc3)n2)cc1 1772574301 MYHBVTCZYQESFW-UHFFFAOYSA-N 394.431 4.231 5 50 GIBA CCCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 1910439 OLDOOYHOJMMBSY-UXBLZVDNSA-N 386.404 4.053 5 50 GIBA Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] 1137156 PBZKFMLOBQHGGB-UHFFFAOYSA-N 389.411 4.086 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 25558334 JWXUQRHGKNCBNX-REWPJTCUSA-N 399.406 4.347 5 50 GIBA O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl 1153416 WEMPXQQPOIAHLL-UHFFFAOYSA-N 388.836 4.137 5 50 GIBA CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccco3)c2c1N 2113291 BQORHSPVVUVTQU-UHFFFAOYSA-N 378.431 4.454 5 50 GIBA COc1ccc2ccccc2c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19633790 LZVPRFWAIMJVLU-UHFFFAOYSA-N 377.444 4.079 5 50 GIBA CCCOc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 2307675 MVMHULYWPZOGCX-YBEGLDIGSA-N 386.791 4.382 5 50 GIBA COc1ccc2c(c1)CCc1sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)nc1-2 2879133 YUFYAEVDDHIMEP-UHFFFAOYSA-N 395.440 4.007 5 50 GIBA O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1[N+](=O)[O-] 4827835 OWEMARCTCSFHTD-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA O=[N+]([O-])c1ccc(OC[C@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 1115475 BYBPUZPUFIIZSC-OAQYLSRUSA-N 378.428 4.041 5 50 GIBA Cc1ccc(Sc2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1 4824664 FJCAWYKPGLGQNJ-IZZDOVSWSA-N 381.413 4.014 5 50 GIBA O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1F 170607500 DOCLTZDTDHGEKL-YOEHRIQHSA-N 384.329 4.061 5 50 GIBA CC1CCN(C(=S)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 1161707 UHMHNZFHUODZRS-UHFFFAOYSA-N 384.457 4.221 5 50 GIBA CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1 4215955 PXDBZSCGSQSKST-UHFFFAOYSA-N 396.491 4.276 5 50 GIBA in-man CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 1073307 UKKCYRLAKZRNBU-UHFFFAOYSA-N 388.836 4.490 5 50 GIBA CCCc1[nH]nc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1[N+](=O)[O-] 170623541 JZCIIWYOXOTXBR-SFHVURJKSA-N 390.443 4.058 5 50 GIBA O=C(O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccc([N+](=O)[O-])cc1 1406574 DSQVOWOSMHYSOX-DTBYZMGXSA-N 382.391 4.026 5 50 GIBA O=[N+]([O-])c1ccc(Sc2nnc(Cc3ccccc3)n2-c2ccccc2)nc1 2484096 GTCMNFIOIIKYCC-UHFFFAOYSA-N 389.440 4.313 5 50 GIBA O=C(Nc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1)c1ccco1 1157121 TZYSXLYZMFIMNQ-UHFFFAOYSA-N 376.328 4.157 5 50 GIBA COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 5675642 IVZOEJKHNZZLTR-UHFFFAOYSA-N 386.335 4.167 5 50 GIBA Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccccc3[N+](=O)[O-])nc12 6527947 XTOXIACDMSNDMZ-UHFFFAOYSA-N 376.401 4.079 5 50 GIBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 4091686 YXMZGESEYQCXAC-UHFFFAOYSA-N 391.452 4.240 5 50 GIBA CCOc1ccccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 2796609 GMPNFNSAJVNOQU-UHFFFAOYSA-N 394.431 4.107 5 50 GIBA N=c1sc(Cc2cccc([N+](=O)[O-])c2)cn1CC(=O)c1ccc(Cl)cc1 4486214 ZIXKOBMEXHHGHF-UHFFFAOYSA-N 387.848 4.064 5 50 GIBA COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 4691191 VNHOZNIFCPJIBW-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1C)CCC3 1150503 CPPCTCJAJXWZHM-UHFFFAOYSA-N 381.384 4.086 5 50 GIBA O=C(c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)n1nnc2ccccc21 1166197 AHPKSCAPJUACLD-UHFFFAOYSA-N 394.774 4.474 5 50 GIBA O=C(Nc1ccc2c(c1)OCO2)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 2849885 ALTORMJOPJVTOR-UHFFFAOYSA-N 378.340 4.368 5 50 GIBA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 142689386 FWGWCUQORXOSII-KODHJQJWSA-N 398.846 4.430 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1Cl 2850533 HRHIGOWEWFIMGX-UHFFFAOYSA-N 385.601 4.272 5 50 GIBA CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccccc1 1149386 QAPCTRAIFUQAND-XMSQKQJNSA-N 395.411 4.067 5 50 GIBA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] 4750283 PNCNQAJZPGWQTI-UHFFFAOYSA-N 382.397 4.362 5 50 GIBA O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 117645537 YIAQUUVMAJDWBI-UHFFFAOYSA-N 397.822 4.092 5 50 GIBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)c(OC)c1 253414035 WHBIWZMATNXTKX-UHFFFAOYSA-N 375.384 4.258 5 50 GIBA biogenic Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl 4740911 XFFPGOLFNKBGGT-UHFFFAOYSA-N 394.258 4.172 5 50 GIBA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913246 KEMISNIEEGTGIH-QGZVFWFLSA-N 386.448 4.128 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(/C=C/c2ccccc2)[nH]c(=S)n1 5734133 QGQAVJUNTICSCC-VOTSOKGWSA-N 378.413 4.470 5 50 GIBA CCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2913034 ZYMWJNSWORWDQX-QGZVFWFLSA-N 395.444 4.452 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 2850380 LKZRHHOMBIFLKS-LLVKDONJSA-N 379.210 4.072 5 50 GIBA Cc1c(C)c2cc(Cl)c(OCC(=O)c3cccc([N+](=O)[O-])c3)cc2oc1=O 2853794 LMIZQSGWQWSWGW-UHFFFAOYSA-N 387.775 4.233 5 50 GIBA O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 1185459 ZNTJPPZJARBDOK-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA CCCCOC(=O)c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4797238 MRMZTRJYOGAZCT-UHFFFAOYSA-N 388.376 4.171 5 50 GIBA CSc1cccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 4981933 UVRHGCOHWSZULH-UHFFFAOYSA-N 394.500 4.500 5 50 GIBA O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 1161196 VPBQKWUAEWQTNS-HSZRJFAPSA-N 398.418 4.235 5 50 GIBA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 1204102 LVOTWUMBSLXOKI-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)cc1 13330835 BHRIIXJCTLHRGY-UHFFFAOYSA-N 387.852 4.302 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 4690659 FBTCDCGMRJKVLG-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)ccc1[N+](=O)[O-] 1167785 VHPUFPDNQVRRJZ-UHFFFAOYSA-N 381.413 4.469 5 50 GIBA Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 2679031 YUXZIMNVUIAFQC-UHFFFAOYSA-N 398.400 4.156 5 50 GIBA CCOc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc([N+](=O)[O-])c1O 13914303 YNDQVNZGKQSGAR-OAHLLOKOSA-N 378.384 4.326 5 50 GIBA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)cc2c1OCO2 218396637 UNOBIBSWFCZHDV-UHFFFAOYSA-N 389.367 4.276 5 50 GIBA COc1cccc(NC(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)c1 5049922 KCUKECHAHVLNGW-UHFFFAOYSA-N 391.427 4.492 5 50 GIBA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 1175094 FQPHPZBZTAOGSV-UHFFFAOYSA-N 375.425 4.158 5 50 GIBA CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC 252461155 KZUFRLKJCLWSAW-YOSAUDMPSA-N 390.544 4.440 5 50 GIBA biogenic CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 1195545 DSZYUXQTZVHUIY-UHFFFAOYSA-N 394.836 4.227 5 50 GIBA O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1452521 IRJNQLWVLRZAAT-CQSZACIVSA-N 389.622 4.100 5 50 GIBA CC(C)(C)OC(=O)Nc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] 43214937 HDOFIIQIDFBFQG-UHFFFAOYSA-N 398.372 4.197 5 50 GIBA O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 1072970 WJSBWGAWSNZUPW-UHFFFAOYSA-N 375.793 4.273 5 50 GIBA O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1 5127464 MGAXVCYXLQXMJB-CQSZACIVSA-N 388.638 4.133 5 50 GIBA Cc1c(Cn2cc(Br)c(-c3nccs3)n2)cccc1[N+](=O)[O-] 170609007 VTKJGFHOTRUKQY-UHFFFAOYSA-N 379.239 4.034 5 50 GIBA CCc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 678718 KJGYQPUFZALOQO-UHFFFAOYSA-N 387.399 4.143 5 50 GIBA Cc1c(C(=O)Nc2scc(-c3cccs3)c2C(N)=O)cccc1[N+](=O)[O-] 2760790 PSIOQRBFSWZQJF-UHFFFAOYSA-N 387.442 4.044 5 50 GIBA CC[C@H](NC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1)c1cccc([N+](=O)[O-])c1 1447046495 FJLFITSCDQRDAT-KRWDZBQOSA-N 389.415 4.347 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 943478 BFNQFACEGLTWQF-NSHDSACASA-N 388.445 4.210 5 50 GIBA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc([N+](=O)[O-])o1 5173425 YAZAWERVUFCLOP-UHFFFAOYSA-N 381.369 4.422 5 50 GIBA COc1ccc(CCNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 1005667 UMUDAURGIWJRNF-UHFFFAOYSA-N 390.848 4.444 5 50 GIBA Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(-n2nc3ccccc3n2)c1 991335 JGDQQPPWAAPBNB-UHFFFAOYSA-N 388.383 4.165 5 50 GIBA CCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 2912491 VZRSDHVPWNNCTF-KRWDZBQOSA-N 395.444 4.452 5 50 GIBA O=C(c1ccc(Br)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4846145 PTDXKPMWVOLMJB-UHFFFAOYSA-N 375.222 4.189 5 50 GIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1 2841521 JZCFYGXKLSOXAF-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1 1140110 HRSQAYCZPWJGJN-UHFFFAOYSA-N 381.413 4.469 5 50 GIBA CC[C@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 2803041 INLPVWOFSGWMGU-NSHDSACASA-N 379.445 4.429 5 50 GIBA COCCOC(=O)c1c(C)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc12 2667121 OBEFHOTYVDNFBI-UHFFFAOYSA-N 385.372 4.032 5 50 GIBA biogenic O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 5061266 PAAXSSXIQHUDQC-UHFFFAOYSA-N 393.487 4.079 5 50 GIBA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])o1 830447 MJOMKNCQFXYHFE-UHFFFAOYSA-N 381.369 4.422 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Br 5093873 JBIISCNTVACCAH-UHFFFAOYSA-N 379.210 4.317 5 50 GIBA COc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br 4038146 YMCHMTIIUAZHMO-VQHVLOKHSA-N 377.194 4.018 5 50 GIBA O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1226919 BZPPCOSIOOICOR-UHFFFAOYSA-N 378.340 4.338 5 50 GIBA Cn1c(=O)c(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc2ccccc21 218375378 AEOQOGKTCYJFGI-UHFFFAOYSA-N 382.379 4.082 5 50 GIBA CCCN1C2=NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)N2c2ccccc21 4701814 RTXQGLJHGXNNKM-GZTJUZNOSA-N 382.807 4.222 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(Br)c1 934669 JXWSNHYPEGXEPV-NSHDSACASA-N 379.210 4.072 5 50 GIBA Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 1205466 VXCRENFDDZOFRB-UHFFFAOYSA-N 379.372 4.309 5 50 GIBA CCc1sc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br 4749785 YUAJETZPVWOWSU-UHFFFAOYSA-N 385.239 4.242 5 50 GIBA CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc(-c2ccccc2[N+](=O)[O-])on1 2325739315 IATMDNDDSHIKGS-UHFFFAOYSA-N 376.372 4.003 5 50 GIBA O=C(Nc1ccccc1C(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 1140590 VMMLHGMQFCQGFV-UHFFFAOYSA-N 379.347 4.239 5 50 GIBA C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2838214 IDETUEDQJFLGIP-HNNXBMFYSA-N 389.411 4.338 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1[N+](=O)[O-] 4866880 UVUPBNFIHNVILH-SDNWHVSQSA-N 385.379 4.170 5 50 GIBA Cc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] 1149772 KQVBANFEISFEJB-UHFFFAOYSA-N 388.836 4.251 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2 715547 CPPCJGYJDUWXPF-UHFFFAOYSA-N 394.836 4.227 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)oc(=O)c1ccccc12 939671 MBANFZCVZSZLAP-DHZHZOJOSA-N 387.347 4.473 5 50 GIBA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1193560 ABIIMBPBNXCSSV-WJDWOHSUSA-N 378.315 4.338 5 50 GIBA COc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1 4622070 SEUDAJSEMYZERT-UHFFFAOYSA-N 383.408 4.264 5 50 GIBA Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2898289 YTQUQQQFJIWNJW-UHFFFAOYSA-N 396.184 4.069 5 50 GIBA O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5027992 CBNOIGRBFUWGEN-UHFFFAOYSA-N 382.445 4.447 5 50 GIBA aggregator COc1ccc(-c2nsc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)cc1 110290480 UMQDCTQCNZRHOA-UHFFFAOYSA-N 390.808 4.028 5 50 GIBA COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1 5065635 DBGCMZKUJJBDQZ-CSKARUKUSA-N 394.383 4.256 5 50 GIBA O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc([N+](=O)[O-])c1 974741 FVFBDVDMYYVSQS-OVCLIPMQSA-N 389.820 4.354 5 50 GIBA O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)nc1NCc1ccccc1 2855466 QEYZDKZLRQDCPF-UHFFFAOYSA-N 399.410 4.154 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)cc1 2985475 VIFFQBGSIOHVKV-RMKNXTFCSA-N 376.865 4.311 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 5736181 JWXUQRHGKNCBNX-NZQKXSOJSA-N 399.406 4.347 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 935639 NDDVIMWZIJOWHC-GFCCVEGCSA-N 378.812 4.280 5 50 GIBA CC1(C)C(=O)[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccccc1 1149387 QAPCTRAIFUQAND-GCJKJVERSA-N 395.411 4.067 5 50 GIBA CCCC[C@H](CC)c1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 2872612 MVNGSNJBBZXZFN-NSHDSACASA-N 378.454 4.391 5 50 GIBA C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc(-n2cncn2)c1 225438928 ORZDFGSUQNELKU-INIZCTEOSA-N 393.450 4.460 5 50 GIBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(C(=O)Oc2ccccc2)c1 1124927 LBCZNWVQORRDLV-UHFFFAOYSA-N 391.379 4.100 5 50 GIBA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4702864 OTDNAUOMSWNMEF-VIFPVBQESA-N 385.203 4.316 5 50 GIBA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 100508895 FWYXNQQJDPKKLD-BIPCEHGGSA-N 392.436 4.058 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 5063950 CUQFUFRUOUOSGF-UHFFFAOYSA-N 387.505 4.323 5 50 GIBA O=C(/C=C/c1ccccc1)OC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 22023378 OFVBTNNAQASOLU-SGWGQVFISA-N 380.444 4.063 5 50 GIBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(c1)oc(=O)c1ccccc12 1143110 CPSFHMMWDKNISM-UHFFFAOYSA-N 377.352 4.442 5 50 GIBA CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] 1166245 WFJDBHVEYMGTJU-UHFFFAOYSA-N 395.371 4.091 5 50 GIBA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1[N+](=O)[O-] 1194899 GVJADIBFJXPQLR-LJQANCHMSA-N 390.395 4.006 5 50 GIBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I 4657117 CSJVUWOEXBPCQY-UHFFFAOYSA-N 396.184 4.069 5 50 GIBA CSc1ccc(Cl)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c1 2797384 LMEUKRPBMOFZLN-UHFFFAOYSA-N 395.893 4.405 5 50 GIBA CCN(CC)C[C@@H](O)Cn1c(C)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 2488397 BOLSJMUPEQCJLH-LJQANCHMSA-N 381.476 4.228 5 50 GIBA O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1F 170607501 DOCLTZDTDHGEKL-WMLDXEAASA-N 384.329 4.061 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 943479 BFNQFACEGLTWQF-LLVKDONJSA-N 388.445 4.210 5 50 GIBA O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 756496 XXMYBAWVPXHQHP-UHFFFAOYSA-N 386.713 4.479 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] 1166380 FGKSVCFXXBZDHL-UHFFFAOYSA-N 389.839 4.499 5 50 GIBA COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] 780700 AMAJQEBTPROGLH-UHFFFAOYSA-N 375.812 4.109 5 50 GIBA O=C(CSCC(=O)Nc1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 1097671 NGYLKCZTUAISCT-UHFFFAOYSA-N 395.440 4.058 5 50 GIBA Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 1154957 BVBVGNZIFWIPFZ-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA Cc1ccc(Sc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)cc2)cc1 9235096 OBRSQNAMHOHREO-IZZDOVSWSA-N 381.413 4.014 5 50 GIBA Cc1oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2c1C(=O)OC(C)C 942066 RTCKHUMLOOVADM-UHFFFAOYSA-N 383.356 4.434 5 50 GIBA biogenic CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1184080 OTEMYYZMBHUIIC-UHFFFAOYSA-N 380.356 4.284 5 50 GIBA CCOC(=O)c1cc(N)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 4718455 MUGROJVUWOVYPG-UHFFFAOYSA-N 375.380 4.029 5 50 GIBA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc([N+](=O)[O-])cc1 4838578 AIHRTICCMHTAPK-UHFFFAOYSA-N 375.340 4.361 5 50 GIBA O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1Cl 36384512 SSZUWCMRGZZOAZ-ZSOIEALJSA-N 376.777 4.195 5 50 GIBA O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5119962 HKKQUSAUNRGDIP-UHFFFAOYSA-N 395.846 4.364 5 50 GIBA O=C(O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 4991106 WRLAVTGPHSWRAE-UHFFFAOYSA-N 386.747 4.459 5 50 GIBA Cc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1 95930184 JUVQLZBJFOGEEO-GOTSBHOMSA-N 399.494 4.320 5 50 GIBA investigational CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 2864883 UPBSFPOQTSLUAK-UHFFFAOYSA-N 385.420 4.230 5 50 GIBA O=C(Cc1ccc(F)cc1)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 22340117 BBBVHMSOLKBMLK-UHFFFAOYSA-N 383.404 4.461 5 50 GIBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 996664 TVVSVIRQZZDPTJ-KRXBUXKQSA-N 395.396 4.099 5 50 GIBA CCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 1174584 MDIHHOWKNMWFQS-UHFFFAOYSA-N 395.440 4.274 5 50 GIBA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc([N+](=O)[O-])c1 1210760 FIVCFHISWMIJCN-UHFFFAOYSA-N 375.340 4.361 5 50 GIBA biogenic Cn1nc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O 6397048 SZWAHYFKOQNEIY-UHFFFAOYSA-N 378.432 4.253 5 50 GIBA CC(C)OC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 12382673 DCSMAFSUNAUKNX-QXMHVHEDSA-N 377.400 4.412 5 50 GIBA CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(c3ccccc3)CC2)c1 253421777 WDSNSUQBGSKWFJ-UHFFFAOYSA-N 385.489 4.058 5 50 GIBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccco1 1217891 SCIJBYDSJBQEJG-UHFFFAOYSA-N 395.371 4.009 5 50 GIBA Cc1ccccc1Cc1cnc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)s1 170643960 XFMPKDFYIIIAHJ-UHFFFAOYSA-N 394.456 4.498 5 50 GIBA C[C@]1(c2ccccc2)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 444990887 JVJLNNHIWRIQKK-VWLOTQADSA-N 382.463 4.485 5 50 GIBA O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])cc1 1185986 XQHSBYAWLKZJJZ-UHFFFAOYSA-N 389.436 4.293 5 50 GIBA COc1cc(OC)c(CNc2ccc([N+](=O)[O-])cc2C)cc1Br 4309325 BZTNKRLKYKTGNW-UHFFFAOYSA-N 381.226 4.295 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Br)cc1 4905181 PHAKUPBGNWETDS-RUDMXATFSA-N 377.194 4.018 5 50 GIBA O=[N+]([O-])c1ccc(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 5042906 SJMNREBVDHZEOD-MVVBNGQASA-N 378.388 4.387 5 50 GIBA Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c2cccnc12 783648 CGVHMLFWRUSFFL-UHFFFAOYSA-N 383.363 4.405 5 50 GIBA O=c1oc2c(Br)cc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 1072046 UWZHRJUSMQNCCD-UHFFFAOYSA-N 386.161 4.007 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ncccc3o2)cc1 1205107 ILBLZRMJNIMFAL-IZZDOVSWSA-N 386.367 4.450 5 50 GIBA COc1ccccc1-n1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 4729922 ZZPBFUMULMNIMG-CCEZHUSRSA-N 399.406 4.473 5 50 GIBA CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1OC 252461153 KZUFRLKJCLWSAW-NMMYMHLASA-N 390.544 4.440 5 50 GIBA biogenic O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCc2cc([N+](=O)[O-])ccc21 758719462 YLJRQKRVMFJDBD-UHFFFAOYSA-N 396.406 4.408 5 50 GIBA Cc1ccc(C=O)cc1Oc1ncnc(Oc2cc(C=O)ccc2C)c1[N+](=O)[O-] 4106756 KXEXNSIITRSTPZ-UHFFFAOYSA-N 393.355 4.211 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 1181530 RSGCLWRFIBGEED-UHFFFAOYSA-N 383.351 4.049 5 50 GIBA C[C@H]1C[C@H](C)CN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)C1 4264094 LYIIIUYETRXFHT-HOTGVXAUSA-N 377.444 4.381 5 50 GIBA Cc1c(NC(=O)COc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] 1141539 WDECFQGCTUJJFS-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1 4071427 ZJVYZHVTAQAKNZ-LLVKDONJSA-N 379.210 4.072 5 50 GIBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(-c3ccccc3)c12 20605858 UYARYWOAXYHJGS-UHFFFAOYSA-N 375.340 4.252 5 50 GIBA CCCCOC(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 1738482 YCRRIDJXAAEDDD-UHFFFAOYSA-N 375.356 4.335 5 50 GIBA COc1c(C)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 5064475 VHDVAWNHWUDMAR-UHFFFAOYSA-N 379.210 4.235 5 50 GIBA C[N+](C)(C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 91695682 OBLMXKSOPNFCGP-UHFFFAOYSA-N 386.825 4.107 5 50 GIBA in-vitro Cc1c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc(Br)c1Cl 2818810 ZHMSRLBJWSZRRE-UHFFFAOYSA-N 395.596 4.120 5 50 GIBA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 663075 PRNANZDFULFKHN-UHFFFAOYSA-N 382.397 4.362 5 50 GIBA CCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 2280265 ZLXDCLKHQHPCEZ-UHFFFAOYSA-N 398.371 4.452 5 50 GIBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc1OC 253411441 OPJVFWHZBKAFRD-UHFFFAOYSA-N 375.384 4.258 5 50 GIBA biogenic O=C(Nc1ccc2c(c1)OCCO2)c1sc2cc([N+](=O)[O-])ccc2c1Cl 679837 WROJGSXOXUESEF-UHFFFAOYSA-N 390.804 4.486 5 50 GIBA COc1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 827821 AGWPSYIUFJVBSH-UHFFFAOYSA-N 390.351 4.196 5 50 GIBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1 1210292 DZUIVAYKFGLHSW-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl 4611355 QVGUJLRZFOJKHY-UHFFFAOYSA-N 381.624 4.356 5 50 GIBA O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1Cc1ccco1 4866379 OQZVTJORCAUXAG-UHFFFAOYSA-N 385.427 4.051 5 50 GIBA Cc1c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] 4872705 BOFYPVCXOIFNQP-UHFFFAOYSA-N 388.836 4.251 5 50 GIBA O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 822309 SMZKNTSOXYINQA-HMMYKYKNSA-N 387.395 4.004 5 50 GIBA C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 4840915 INDIHWINDJCCGR-GJZGRUSLSA-N 381.432 4.250 5 50 GIBA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 4725641 VGWOWVSROWEELW-FPYGCLRLSA-N 396.255 4.428 5 50 GIBA CCC(=O)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 851646 ODAYLNFCYXWWRU-UHFFFAOYSA-N 378.178 4.169 5 50 GIBA CC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)OC)C1 1218052 CAJDKXBGBBPTPR-LLVKDONJSA-N 388.445 4.210 5 50 GIBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 239046687 FWYXNQQJDPKKLD-MBZVMHRFSA-N 392.436 4.058 5 50 GIBA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1775965079 UESDFBDQMHTXPK-QZTJIDSGSA-N 384.388 4.217 5 50 GIBA C/C=C/c1ccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 2985239 SXHYXJCWEAOSEK-SNAWJCMRSA-N 387.432 4.419 5 50 GIBA CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 4125035 MTHISACMMVTMHN-UHFFFAOYSA-N 396.491 4.015 5 50 GIBA CC(C)[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1nncn1C 253417956 JAICQVFMXWEAPB-GFCCVEGCSA-N 377.754 4.205 5 50 GIBA CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1172662 RMWBYEWIILNJMO-UHFFFAOYSA-N 379.372 4.456 5 50 GIBA O=C(CSCc1ccccc1Br)Nc1cccc([N+](=O)[O-])c1 1122106 XAKWNURNSJNJEK-UHFFFAOYSA-N 381.251 4.229 5 50 GIBA COc1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 4419904 ORBRVCMDIXEITM-BUHFOSPRSA-N 399.406 4.473 5 50 GIBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 240412849 FOGUUDKNVIFNSE-CRAIPNDOSA-N 385.851 4.005 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccco2)c1 1186237 HOHUGZHQIGJFRV-MDZDMXLPSA-N 377.356 4.092 5 50 GIBA aggregator Cc1cc2c(cc1O)CCN(c1nc3c([N+](=O)[O-])c(Cl)ccc3s1)C2 2325827284 BFNKAABGMAQDFI-UHFFFAOYSA-N 375.837 4.435 5 50 GIBA COc1ccc(-c2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])n2C)cc1 5065642 LHRFJBCDBDAQSI-UHFFFAOYSA-N 390.852 4.345 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc(O)c1 4438109 BWVWHGCAQNBCLQ-OUKQBFOZSA-N 385.379 4.170 5 50 GIBA O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1 1113596 ZDMATLHEEYCKBD-UHFFFAOYSA-N 379.357 4.281 5 50 GIBA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983759 ZVOLYASYZAICRO-UHFFFAOYSA-N 394.475 4.438 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br 4672818 VBIGONSKSXVKKZ-UHFFFAOYSA-N 395.209 4.017 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccncc3)nc2c1 1165911 CAIMYXKIYFNLJJ-QPJJXVBHSA-N 386.367 4.450 5 50 GIBA Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)cc1Cl 4706689 QVAVAXFGIGDMCS-HNNXBMFYSA-N 389.839 4.400 5 50 GIBA O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cc2c(s1)CCC2 2325862967 OZNMLUCAPDCEAK-UHFFFAOYSA-N 382.235 4.265 5 50 GIBA CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC 2821653 LGLWAZTVSGLGQD-FMIVXFBMSA-N 397.431 4.384 5 50 GIBA COc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 4419834 RUAUFKMIDMBAPB-OVCLIPMQSA-N 399.406 4.473 5 50 GIBA CC1=C(C)C[C@@H]2C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 100596348 FJCJXTYCNLBKCY-PMACEKPBSA-N 376.412 4.498 5 50 GIBA Cn1nc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4172285 DSFHHJVYRLIVIX-UHFFFAOYSA-N 386.411 4.121 5 50 GIBA CC[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 13330057 CVHXAFKJKSBJGL-AWEZNQCLSA-N 389.260 4.331 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1Cl 4680683 YRDSLMGHKKQKKR-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c2c1 5048315 QRMFNSAQUCSKCC-UHFFFAOYSA-N 385.383 4.161 5 50 GIBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ccccc3o2)c1 1216848 GXOVLBLGODIDMN-UHFFFAOYSA-N 389.367 4.421 5 50 GIBA O=[N+]([O-])c1ccc(-c2nnc(SC[C@H](O)c3ccc(F)cc3)s2)cc1 5715818 FBZDMQZHMSSGDZ-AWEZNQCLSA-N 377.422 4.078 5 50 GIBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 687026 KONHBOXXPCOFOU-SNVBAGLBSA-N 388.445 4.128 5 50 GIBA Nc1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)n1 4012015 PYZGTNAEFHAQKT-FIFLTTCUSA-N 389.371 4.216 5 50 GIBA O=C(CCC(=O)OCc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 1135900 RGTKCENPFXWLIS-UHFFFAOYSA-N 397.214 4.364 5 50 GIBA COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 1199680 AWOFITMTFDIHLJ-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA COc1cc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3c(C)cccc23)cc1SC 128437785 FORBVSOCZRXYAS-UHFFFAOYSA-N 399.472 4.088 5 50 GIBA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2C)s1 4999046 CNVQEBJIFRKKMI-UHFFFAOYSA-N 379.463 4.123 5 50 GIBA CC(=O)c1cc(F)c(N2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)cc1C 4183403 MCKBMUUSPOXJBJ-UHFFFAOYSA-N 389.402 4.019 5 50 GIBA O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 5060139 PIQUCHGELSOMSH-UHFFFAOYSA-N 378.340 4.368 5 50 GIBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1cccc(OC(F)(F)F)c1 22607801 YORLTUMAVKGPGI-UHFFFAOYSA-N 396.328 4.085 5 50 GIBA CCOC(=O)c1c(C)sc(Sc2ccccc2[N+](=O)[O-])c1OC(C)=O 977899 YZUMSFIJXRWVGD-UHFFFAOYSA-N 381.431 4.218 5 50 GIBA biogenic O=c1oc(-c2ccc([N+](=O)[O-])cc2Cl)nc2ccc(Br)cc12 1067123 BQKFQGMZVOCHHF-UHFFFAOYSA-N 381.569 4.179 5 50 GIBA CC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 130151226 VMKYECDMAINDAM-UHFFFAOYSA-N 390.823 4.339 5 50 GIBA COc1ccccc1[C@@H]1[C@H](Oc2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 2758731 QKVLMIXHPFSYCW-RTWAWAEBSA-N 390.395 4.139 5 50 GIBA CC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 1002265 BLRXOTSKXPWMML-UHFFFAOYSA-N 380.356 4.222 5 50 GIBA CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 1181924 AYMXSUMALCKGTO-UHFFFAOYSA-N 376.368 4.439 5 50 GIBA Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1Cl 16312974 QCPNNESVROTGAV-UHFFFAOYSA-N 376.825 4.164 5 50 GIBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1=C1CCCCC1 141677850 FWGWCUQORXOSII-LSOMNZGLSA-N 398.846 4.430 5 50 GIBA COc1ccc2[nH]cc(CCNc3nccc4c3c(=O)oc3ccccc34)c2c1 1848443548 ZYQYTTBXYWFWBA-UHFFFAOYSA-N 385.423 4.486 5 50 GIBA CCCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 2764141 UVXKZBGJGYADKI-UHFFFAOYSA-N 388.445 4.273 5 50 GIBA C[C@@]1(c2ccccc2)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCO1 365218063 HMESBLRKMDLPEB-VWLOTQADSA-N 398.462 4.069 5 50 GIBA O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1 3876731 RUMHRQWAARUWMQ-XSFVSMFZSA-N 384.395 4.399 5 50 GIBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@H]2CCCO2)cc1Cl 4873341 OSGLXYXKUQNVGU-OAHLLOKOSA-N 389.839 4.400 5 50 GIBA COc1cccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 4419940 KRCJGFVCHHFMJX-BUHFOSPRSA-N 399.406 4.473 5 50 GIBA COc1ccccc1Nc1nc(Nc2cccc(C(C)=O)c2)nc(C)c1[N+](=O)[O-] 4719474 GEPKSNSDFGAWKY-UHFFFAOYSA-N 393.403 4.392 5 50 GIBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 2068756 DHBDZNRJDHKMSY-UHFFFAOYSA-N 377.356 4.316 5 50 GIBA O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 4688229 RYQXMQALKBZVLX-UHFFFAOYSA-N 387.745 4.109 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 5078226 ZFWXVUNNAYMDES-AWEZNQCLSA-N 398.177 4.172 5 50 GIBA COc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1 4255915 WGOCNLUAWQONCG-UHFFFAOYSA-N 381.392 4.198 5 50 GIBA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 4740451 IDUULWUKMLKUDN-UHFFFAOYSA-N 385.420 4.230 5 50 GIBA CCCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1 2838948 GGFZMMYWUZZTIM-UHFFFAOYSA-N 396.230 4.294 5 50 GIBA O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1111320 LGUSOPLAXYKLBN-UHFFFAOYSA-N 391.412 4.156 5 50 GIBA CC1=CC(C)(C)Nc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21 4548712 BSGLKJWPMQLOJV-UHFFFAOYSA-N 383.360 4.330 5 50 GIBA COc1ccc(CNC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542797 VZSUWDUHEMYPKN-ZRDIBKRKSA-N 378.384 4.193 5 50 GIBA CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2O)cc1 4582917 CROKTKRIGBNNHG-JTQLQIEISA-N 384.841 4.268 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ncccc3o2)c1 1166518 AYSWQFBQPKYTEQ-MDZDMXLPSA-N 386.367 4.450 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1Cl 4702050 GQFCTUXKNHLTAM-CMDGGOBGSA-N 376.865 4.311 5 50 GIBA CC1=C(C)C[C@H]2C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 100596344 FJCJXTYCNLBKCY-WOJBJXKFSA-N 376.412 4.498 5 50 GIBA CCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 826812 XEDNUHBHHIIIAM-MRXNPFEDSA-N 381.417 4.062 5 50 GIBA O=C(OCC(=O)c1ccccc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 1122814 JFFFDQOPFQRJEG-UHFFFAOYSA-N 398.596 4.050 5 50 GIBA C[C@](CC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)O)c1ccc(Cl)c(Cl)c1 1875324099 HKNNKYMONNIOCK-QGZVFWFLSA-N 397.214 4.273 5 50 GIBA COc1ccc(NC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 5059945 CUXIKNHTPAMWFE-UHFFFAOYSA-N 385.601 4.272 5 50 GIBA O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 170622989 WZPMKMHIAAKUAW-QFIPXVFZSA-N 388.423 4.439 5 50 GIBA Cc1cn2cc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])ccc2n1 447669640 JUUOWLQEEAVGMN-UHFFFAOYSA-N 387.268 4.344 5 50 GIBA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 17077542 FHYKXIPHXMWCRX-UHFFFAOYSA-N 379.420 4.409 5 50 GIBA COP(=O)(OC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2883921 HZXMWYLWYADGTM-OAHLLOKOSA-N 381.281 4.100 5 50 GIBA CCCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 2053740 MFCDUQFEWFXYLE-UHFFFAOYSA-N 391.424 4.040 5 50 GIBA COc1ccc2nc3c(c(NC(=O)c4cccc([N+](=O)[O-])c4)c2c1)CCCC3 5930550 ULHNQGJIYSLVNX-UHFFFAOYSA-N 377.400 4.283 5 50 GIBA C[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 2862229 PRQAUVSSPAKNNZ-ZDUSSCGKSA-N 388.851 4.383 5 50 GIBA Cc1ccc(-c2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1[N+](=O)[O-] 1086066 YDYWMWDWGOYIFV-UHFFFAOYSA-N 390.355 4.466 5 50 GIBA CCc1c(C)c2ccc(OCC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2oc1=O 2853950 KXBXAKYILHLOIN-UHFFFAOYSA-N 381.384 4.142 5 50 GIBA Cc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl 4754518 MZRCEFRBZUMEDG-SOFGYWHQSA-N 375.837 4.083 5 50 GIBA COC(=O)c1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 3085982 DLNDFXHZPGKLEN-UHFFFAOYSA-N 376.368 4.360 5 50 GIBA O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CNc1cccc([N+](=O)[O-])c1 334163420 RIXXXBRSFUNLRO-NVNXTCNLSA-N 389.820 4.354 5 50 GIBA O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1848584 QPNMKRYEXAGDFJ-UHFFFAOYSA-N 394.339 4.301 5 50 GIBA CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 3880254 NOWBWXQWUJRRCM-LFYBBSHMSA-N 379.460 4.080 5 50 GIBA Cc1cc(OCC(=O)c2cccc([N+](=O)[O-])c2)c2c3c(c(=O)oc2c1)CCCC3 1118953 UGVOMCJESRMZSK-UHFFFAOYSA-N 393.395 4.150 5 50 GIBA Cc1c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cccc1[N+](=O)[O-] 2817241 LJDPOQAPHQSORN-UHFFFAOYSA-N 381.432 4.218 5 50 GIBA [O-][n+]1c2ccccc2[n+]([O-])c2cc3[nH]c(-c4c(Cl)cccc4Cl)nc3cc21 5739566 UIUOLIDOCBJWFF-UHFFFAOYSA-N 397.221 4.110 5 50 GIBA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1066061 LYJBDAUZTHXKER-UHFFFAOYSA-N 387.823 4.127 5 50 GIBA O=[N+]([O-])c1c(Nc2ccc(O)cc2)cc(Nc2ccc(O)cc2)c2nonc12 23114670 QICJFNQSGPDICC-UHFFFAOYSA-N 379.332 4.029 5 50 GIBA COC(=O)c1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4981516 PLDJYYVVSNCAHT-UHFFFAOYSA-N 385.254 4.052 5 50 GIBA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 170639161 HTCFNZUROHCHSE-AWEZNQCLSA-N 380.448 4.044 5 50 GIBA Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc([N+](=O)[O-])cc3)nc12 2800528 AAAUNQIFIWOXMN-UHFFFAOYSA-N 376.401 4.079 5 50 GIBA NC(=O)CCn1ccc(NCc2c3ccccc3c(Cl)c3ccccc23)n1 134145439 PVOCNCXRHSQOES-UHFFFAOYSA-N 378.863 4.330 5 50 GIBA COc1cc(Br)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1116716 RCIAWDIZIAYESU-RUDMXATFSA-N 377.194 4.018 5 50 GIBA CCSc1ccc(C(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] 2999184 IKSAZAZGKNAXCE-UHFFFAOYSA-N 380.853 4.169 5 50 GIBA CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 6872109 AWBMKRHIWOVOHG-ICSRJNTNSA-N 395.415 4.083 5 50 GIBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 1162230 YOSLMQUXWVINRR-UHFFFAOYSA-N 396.424 4.139 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2ccccc2)cc1 4037733 XCPVIGPKJKUASG-UHFFFAOYSA-N 378.384 4.288 5 50 GIBA CCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1[N+](=O)[O-] 1140713 GPEYPNGZRADSCE-UHFFFAOYSA-N 391.811 4.248 5 50 GIBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cn2cc(Cl)cn2)cc1 4981391 LARZESTXPVNCOK-UHFFFAOYSA-N 391.214 4.399 5 50 GIBA C[C@@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 101344778 RAGATRMNHXRQMA-OFNKIYASSA-N 398.418 4.090 5 50 GIBA CCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 2911051 NHHZUEQQJBOAMN-HNNXBMFYSA-N 385.405 4.045 5 50 GIBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4702150 BQLQZCBLTPCLFQ-UHFFFAOYSA-N 393.852 4.162 5 50 GIBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)Cc1ccccc1 4978170 IDPQWOHAVHTBLF-UHFFFAOYSA-N 389.411 4.337 5 50 GIBA C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@]12CCC[C@H]3C[C@@H](C[C@H]31)C2 248139100 PSYKYYSSRDXQRT-WFZYTRFKSA-N 398.551 4.363 5 50 GIBA Cc1c(NC(=O)c2cccc(I)c2)ccc([N+](=O)[O-])c1C 4952906 YROJCSZDTCAUFH-UHFFFAOYSA-N 396.184 4.069 5 50 GIBA O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c1 194771292 XBSVJCJOEPBVDA-UHFFFAOYSA-N 394.499 4.109 5 50 GIBA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1[N+](=O)[O-] 1194902 GVJADIBFJXPQLR-IBGZPJMESA-N 390.395 4.006 5 50 GIBA CC[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccccc1 1161366 CIPDMYPQZKWAJR-OAHLLOKOSA-N 392.205 4.176 5 50 GIBA Cc1nn(C(=O)COc2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1191483 MCNQFFUAFNTNNL-UHFFFAOYSA-N 383.429 4.279 5 50 GIBA O=c1[nH]c(O)nc(/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1[N+](=O)[O-] 4770773 FAPQAPJTAFEEKQ-GORDUTHDSA-N 394.170 4.121 5 50 GIBA O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2F)c1)c1ccccc1F 4997431 OYYYBXHWMZMUJW-UHFFFAOYSA-N 397.337 4.378 5 50 GIBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(Oc2ccccc2)cc1 778007 VTPUJVHNXZLKCP-UHFFFAOYSA-N 389.367 4.053 5 50 GIBA COc1cc(Br)c(CNc2ccc([N+](=O)[O-])cc2C)cc1OC 4685558 VKGCPERCCMTYIW-UHFFFAOYSA-N 381.226 4.295 5 50 GIBA CCOC(=O)c1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)cc1 17130871 BKKWWYULCYQJRR-LVWGJNHUSA-N 386.407 4.094 5 50 GIBA COc1cc(-c2cc(=O)c3ccc4c(O)cccc4c3o2)cc(OC)c1OC 640261 JLFZNXCKIKLLOG-UHFFFAOYSA-N 378.380 4.345 5 50 GIBA Cc1cccc(C)c1OCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 4843064 MGCCCBAVUHXMKU-UHFFFAOYSA-N 384.461 4.211 5 50 GIBA CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc([N+](=O)[O-])c2)c(C(C)C)c1 6489920 ZYQZZMOLYGORFJ-UHFFFAOYSA-N 379.482 4.399 5 50 GIBA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 1052058 CUVIDXKZJXUZEP-UHFFFAOYSA-N 384.823 4.362 5 50 GIBA CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OC)C1 1112915 YGMROJUGJUCLDP-NSHDSACASA-N 388.445 4.210 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1Cl 1169027 FQJAYPXZFFRLRD-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 4838633 WEAKCAAZXYNHPC-UHFFFAOYSA-N 379.210 4.317 5 50 GIBA O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 372295159 NDZWOQSGVMEGRW-VWLOTQADSA-N 393.446 4.124 5 50 GIBA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1775965077 UESDFBDQMHTXPK-MSOLQXFVSA-N 384.388 4.217 5 50 GIBA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 1181745 ZQSHXDFLICCMFK-LLVKDONJSA-N 387.461 4.249 5 50 GIBA CC[C@@H](C)c1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 1148682 QJNRWXHQZWADIY-GDBMZVCRSA-N 381.432 4.100 5 50 GIBA O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1452520 IRJNQLWVLRZAAT-AWEZNQCLSA-N 389.622 4.100 5 50 GIBA O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccccc1 1089435 REXLDFGVCFKFPF-HXUWFJFHSA-N 389.367 4.095 5 50 GIBA O=C(COc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(F)cc1 1111843 WIEXCOPQRPQBMZ-UHFFFAOYSA-N 394.358 4.248 5 50 GIBA O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21 1452078 RRLBWNBOGSIOSL-UHFFFAOYSA-N 380.407 4.346 5 50 GIBA Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)cc1[N+](=O)[O-] 170649888 SZZMBPDUJBQAHV-AWEZNQCLSA-N 389.887 4.259 5 50 GIBA CCCCN(CCCC)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2367864 DUJCDIVUGFZFLG-UHFFFAOYSA-N 392.481 4.166 5 50 GIBA CCCCCC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1787072 UVVIAVQLJFBILM-CYBMUJFWSA-N 383.659 4.366 5 50 GIBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4701906 FDCOUKPZZQDLQU-UHFFFAOYSA-N 393.852 4.162 5 50 GIBA O=C(O[C@@H]1C=C[C@@]23C=CC=C[C@]12CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104296030 GICOYOXIYCQZAO-HOJAQTOUSA-N 382.372 4.271 5 50 GIBA O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc([N+](=O)[O-])o1 1004158 IWRINKBNPMUROZ-UHFFFAOYSA-N 399.366 4.327 5 50 GIBA COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] 1121568 NWEAHQRUGQPNTF-UHFFFAOYSA-N 376.166 4.083 5 50 GIBA CCCCOc1ccc(-c2cc(=O)oc(-c3cccc([N+](=O)[O-])c3O)n2)cc1 15856501 BKQQJVVZNKHGIS-UHFFFAOYSA-N 382.372 4.162 5 50 GIBA Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 1170944 XGTPLSKNYNSLQG-UHFFFAOYSA-N 398.802 4.453 5 50 GIBA aggregator COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 2841787 IRHCKMGLTHKFKH-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 820322 QVKCNXXBVTZUHG-GUCAUAJOSA-N 379.416 4.213 5 50 GIBA Cc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cccc1[N+](=O)[O-] 1157661 AAXNSVAAENINKY-UHFFFAOYSA-N 381.413 4.469 5 50 GIBA Cc1ccc(S(=O)(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2995552 FGYZRMQHEQKMEQ-UHFFFAOYSA-N 380.421 4.331 5 50 GIBA Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCC(Cc3ccccc3)CC2)c1 4832595 GFDFPAQWLNYUFK-UHFFFAOYSA-N 398.503 4.253 5 50 GIBA CCOc1cc(C=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1173404 XBSBTMHPLUSZRD-UHFFFAOYSA-N 380.194 4.148 5 50 GIBA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 1178516 RKCTYQZKIWJOPH-UHFFFAOYSA-N 399.403 4.023 5 50 GIBA C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1c1cccs1 252452757 ADMMBRJCOLZJRW-NHYWBVRUSA-N 379.869 4.474 5 50 GIBA COc1ccc(CCNc2nccc3c2c(=O)oc2ccccc23)cc1OC 1848442567 AUEZIYNQUHZYJS-UHFFFAOYSA-N 376.412 4.013 5 50 GIBA O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 1109364 AOFCPBUEHTTYOE-UHFFFAOYSA-N 394.358 4.248 5 50 GIBA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1117189 IHYDOFRMKOQDTM-SECBINFHSA-N 377.809 4.264 5 50 GIBA Cc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c2c(C)c(C)sc2n1 4560369 AKEPBUSLLMKACP-UHFFFAOYSA-N 388.474 4.256 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1ccc(Cl)cc1 4907374 HYBYMRVJBJCKBZ-UHFFFAOYSA-N 376.796 4.019 5 50 GIBA Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1Cl 4881522 JOJOMZCTXYAQLL-UHFFFAOYSA-N 394.258 4.172 5 50 GIBA O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)c1ccccc1 3877388 USBSTTXNMOCCKC-XSFVSMFZSA-N 384.395 4.399 5 50 GIBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 408420579 XXWKPCYPOMPIHX-VWRIWDLUSA-N 375.469 4.005 5 50 GIBA O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])o1 815729 PYVPTGJSRKETRL-UHFFFAOYSA-N 379.397 4.395 5 50 GIBA O=C(Nc1cccc(Cl)c1)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 4983371 HFKOVQXZFGUXMP-OAHLLOKOSA-N 375.812 4.091 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2 994691 FPBJEGNBWBZXLD-UHFFFAOYSA-N 394.836 4.227 5 50 GIBA O=C(c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 1110384 DAKCNARHNUPWMQ-UHFFFAOYSA-N 376.416 4.074 5 50 GIBA COc1ccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1124674 HSJXFXPNPWNWDB-UHFFFAOYSA-N 390.351 4.196 5 50 GIBA COc1ccc(C2(CNC(=O)c3ccccc3[N+](=O)[O-])CCCCC2)cc1OC 657679 XXULNEHSMPPJAT-UHFFFAOYSA-N 398.459 4.244 5 50 GIBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4819058 UASHZSMDTDJPRR-UHFFFAOYSA-N 398.221 4.003 5 50 GIBA O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)c2ncccc12 22340076 CIKJVMKQHVWXLE-UHFFFAOYSA-N 391.387 4.074 5 50 GIBA C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 170639160 HTCFNZUROHCHSE-CQSZACIVSA-N 380.448 4.044 5 50 GIBA COc1ccc(CCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1OC 4499342 LCRPOXALAXQFAQ-UHFFFAOYSA-N 385.464 4.257 5 50 GIBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 3069971 LHNFCXSDUUKTSN-UHFFFAOYSA-N 376.294 4.052 5 50 GIBA Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 1144343 ZVUPADFRXKAAJF-VCHYOVAHSA-N 393.424 4.323 5 50 GIBA CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c(C)c(C)sc12 4755033 CPHGSMLWCULANH-UHFFFAOYSA-N 392.440 4.145 5 50 GIBA Cc1ccc(F)c(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2796398 WAAHFWVOCVSRDF-UHFFFAOYSA-N 382.395 4.156 5 50 GIBA Cc1ccc(S(=O)(=O)N2Cc3cc([N+](=O)[O-])ccc3Oc3ccccc32)cc1 4108396 DBDGVNWWGUHENK-UHFFFAOYSA-N 396.424 4.404 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cccc2ccccc12 1180787 LYBHTVUINRHZHQ-VAWYXSNFSA-N 377.425 4.274 5 50 GIBA COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 1217672 GRFKMVREJOZEFK-UHFFFAOYSA-N 395.371 4.009 5 50 GIBA O=C(COC(=O)c1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1174110 HPVSWSYHVNGKPG-UHFFFAOYSA-N 398.596 4.050 5 50 GIBA COc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(OC)c3)n2)c1 4455806 IZKDSSXDJUOGEM-UHFFFAOYSA-N 381.392 4.198 5 50 GIBA O=C1c2cc(Br)ccc2-c2c1cc(Br)cc2[N+](=O)[O-] 1580950 PUTIIWOMKYLKOX-UHFFFAOYSA-N 382.995 4.331 5 50 GIBA C[C@@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4455734 OTXPFTWCIBMJHF-DNBYOKIBSA-N 398.551 4.363 5 50 GIBA O=C(COc1ccc(Br)cc1Cl)Nc1cccc([N+](=O)[O-])c1 1169001 UXMWTDKBTMDLKP-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3F)CC2)o1 1225365 ZRHQOJNMMYEMSN-UHFFFAOYSA-N 381.407 4.316 5 50 GIBA O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O 976080 UXMCLUVDABBKQD-UHFFFAOYSA-N 379.155 4.260 5 50 GIBA Cc1oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C 1182009 SDDIUWSJAFDUNL-UHFFFAOYSA-N 383.356 4.434 5 50 GIBA biogenic O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 1181374 OOJORDDVHHVBKE-FPYGCLRLSA-N 396.255 4.428 5 50 GIBA CC(C)(C)c1cc(Br)c(I)c([N+](=O)[O-])c1 36532884 WKZGIMGZZYYXBG-UHFFFAOYSA-N 384.011 4.259 5 50 GIBA COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 4037735 YKLMXXUCHVPHSN-UHFFFAOYSA-N 378.384 4.288 5 50 GIBA COc1ccc(-c2cc(C)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 1078238 XRCIQLZEEYOWLR-UHFFFAOYSA-N 395.440 4.344 5 50 GIBA CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 1148605 UPVLOASJAIAISW-QGZVFWFLSA-N 388.221 4.055 5 50 GIBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 1002542 JRURHCRZVMHPIS-WMZOPIPTSA-N 385.851 4.005 5 50 GIBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4499159 KLQQGXRWMWOGDK-UHFFFAOYSA-N 398.221 4.003 5 50 GIBA CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)OC 997919 AVJLIHZDJDLBJV-UHFFFAOYSA-N 382.825 4.219 5 50 GIBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 17079394 CBCRBURESZWBQW-UHFFFAOYSA-N 388.855 4.034 5 50 GIBA COc1ccc(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1158313 HZDQRYQDUDCELF-UHFFFAOYSA-N 385.445 4.390 5 50 GIBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 1184972 ANBRQEGWGVFXQC-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 4834346 NARAISHEVAEJDY-LLVKDONJSA-N 379.210 4.072 5 50 GIBA Cc1oc(C(C)(C)C)cc1C(=O)NCCNc1c(Cl)cccc1[N+](=O)[O-] 4844928 SXNVNGAIGMPREX-UHFFFAOYSA-N 379.844 4.289 5 50 GIBA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 5093633 VJTGUJGVWLSFDE-XBXARRHUSA-N 391.221 4.326 5 50 GIBA CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1808233 LBXSZFBRWAJILQ-UHFFFAOYSA-N 376.796 4.457 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 4724244 BLRVXQOXPPSIQJ-UHFFFAOYSA-N 396.468 4.294 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 2991197 WZYLFQWHRDLCQP-UHFFFAOYSA-N 399.424 4.250 5 50 GIBA O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])n1nnc2ccccc21 1122472 LSHNZGLRRPBHIY-UHFFFAOYSA-N 376.397 4.179 5 50 GIBA COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 1157886 KPAKYVBIKAMDPB-UHFFFAOYSA-N 397.412 4.170 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1Br 1131820 RTCWGEOSPJHBIC-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA O=C(Oc1ccc(C(=S)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1161034 COYMGQNQDUTHLW-UHFFFAOYSA-N 390.848 4.239 5 50 GIBA Cc1cc(Br)ccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104228817 JMDOGFFWQQSFOD-UHFFFAOYSA-N 397.141 4.226 5 50 GIBA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 4834347 NARAISHEVAEJDY-NSHDSACASA-N 379.210 4.072 5 50 GIBA COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] 1076275 VOIZTUHSGYOFRD-UHFFFAOYSA-N 389.839 4.499 5 50 GIBA Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)cc1Br 1067012 RGJADCBQHIMGRZ-UHFFFAOYSA-N 393.237 4.300 5 50 GIBA CCCCc1cc(=O)oc2cc(OCC(=O)c3cccc([N+](=O)[O-])c3)ccc12 2854497 AAKFSYJWRUIZNG-UHFFFAOYSA-N 381.384 4.306 5 50 GIBA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])cc1 4740483 JGBWQZVAXYCMKG-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 5060543 JRROQAVNKANMQT-UHFFFAOYSA-N 384.413 4.496 5 50 GIBA COc1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc2c1OCCO2 217901212 HZSDLEPHQIVJLH-UHFFFAOYSA-N 389.367 4.010 5 50 GIBA biogenic CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 861250 VQZWEPQOLNLCHS-HNNXBMFYSA-N 392.839 4.002 5 50 GIBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCCOc1ccc(C)cc1C 1914151 DANWPJMESINJFN-ZHACJKMWSA-N 385.416 4.324 5 50 GIBA O=C(Nc1c2c(nc3ccccc13)CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2179038 FOGGHQWYEHQJPB-UHFFFAOYSA-N 392.371 4.182 5 50 GIBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 5101522 BSQHIOWKCXZJEM-UHFFFAOYSA-N 381.624 4.356 5 50 GIBA O=C(Nc1nnc(-c2ccc(F)cc2Cl)s1)c1cccc([N+](=O)[O-])c1 1132013 GQIMHHHDRUMKIU-UHFFFAOYSA-N 378.772 4.158 5 50 GIBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)C12CC3CC(CC(C3)C1)C2 4721461 CFJIAXJBVRIBOT-IBOPUYJASA-N 383.448 4.068 5 50 GIBA CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1ccco1 959468 ZFAFSQSCJRJDCO-UHFFFAOYSA-N 386.385 4.345 5 50 GIBA CC[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccccc1 1161365 CIPDMYPQZKWAJR-HNNXBMFYSA-N 392.205 4.176 5 50 GIBA Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 4998753 PCPOMKAHIFSQAE-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA Cc1cc(S(=O)(=O)Nc2c(Cl)ccc(C)c2Cl)ccc1[N+](=O)[O-] 170596538 YFYGXMQDAKSYIB-UHFFFAOYSA-N 375.233 4.319 5 50 GIBA NC(=O)N1CCCc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc21 427944006 FQHYKVTUTYVTQJ-UHFFFAOYSA-N 396.450 4.472 5 50 GIBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 1057967 YPOGBXLQVAFFAO-UHFFFAOYSA-N 382.401 4.380 5 50 GIBA O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1150244 VDODPUWZYHZVSW-UHFFFAOYSA-N 391.379 4.214 5 50 GIBA CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc([N+](=O)[O-])cc1 857108 JOLXKDSEOSEWQV-GOSISDBHSA-N 390.395 4.006 5 50 GIBA O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 1972154 AUEXVAUPULWANZ-UHFFFAOYSA-N 377.308 4.180 5 50 GIBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 2981754 SXWVZGPYIBBDMD-UHFFFAOYSA-N 393.790 4.234 5 50 GIBA O=C(COc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br 4040803 SROHTTLUOIXESK-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 4706770 CGCUVGJXYBZCDR-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA COc1c(OC(C)=O)ccc(/C=C/c2ccc3cccc(OC)c3n2)c1[N+](=O)[O-] 4998382 NPNIIPQOOKFRRG-DHZHZOJOSA-N 394.383 4.256 5 50 GIBA CC(C)c1noc2ncc(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)cc12 170596309 SKTJDGPLRGRVBU-UHFFFAOYSA-N 377.360 4.055 5 50 GIBA Cn1nc(-c2ccncc2)cc1NC(=O)c1cc2ccccc2c2cccnc12 225419973 CKLLYNQQKVGHQQ-UHFFFAOYSA-N 379.423 4.436 5 50 GIBA O=[N+]([O-])c1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 4725300 SISYVLDMZHKPDF-UHFFFAOYSA-N 379.504 4.439 5 50 GIBA O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1Cc2ccc(O)cc2C2(CC2)C1 462844905 JYGOZNXRDPSKSH-UHFFFAOYSA-N 396.446 4.075 5 50 GIBA O=C(COc1ccc(Cl)cc1Br)Nc1cccc([N+](=O)[O-])c1 1130919 XFWYCVRHMCWSBB-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA COCCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1C 4839795 TVNUVUCTFYSUBT-UHFFFAOYSA-N 377.828 4.257 5 50 GIBA C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 101344775 RAGATRMNHXRQMA-NZQKXSOJSA-N 398.418 4.090 5 50 GIBA Cc1c(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 4689756 MEFVZYJIERFYIM-KRWDZBQOSA-N 384.432 4.147 5 50 GIBA Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 4755270 JCWCLFKTMIMQDB-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1)c1cccc(Br)c1 5713849 FHHVYJYQDQLLMB-UHFFFAOYSA-N 394.206 4.326 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 704909 IUFBGDYJOOYKMO-UHFFFAOYSA-N 388.445 4.273 5 50 GIBA Cc1ccc(Nc2c(CO)cnc3ccc(Br)cc23)cc1[N+](=O)[O-] 214489379 UDIDKECKYFSPQJ-UHFFFAOYSA-N 388.221 4.450 5 50 GIBA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 1174822 PTKXIWUPXMLEAZ-UHFFFAOYSA-N 399.403 4.023 5 50 GIBA CCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2)c2ccc(O)cc12 4543835 KGVFKECPKJCCTI-UHFFFAOYSA-N 397.431 4.242 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1c(F)cccc1Cl 2872019 VDMKKBJIXCTXQA-UHFFFAOYSA-N 384.816 4.268 5 50 GIBA COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4659482 HYNJUNCSKWIRPW-NTCAYCPXSA-N 399.406 4.473 5 50 GIBA O=C(COc1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 957918 RZNLJNOKAMYUOH-UHFFFAOYSA-N 389.820 4.389 5 50 GIBA CCOC(=O)c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 1111282 VWBSJYDQGGUZKA-UHFFFAOYSA-N 382.416 4.222 5 50 GIBA CC[C@@H](OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 4845875 QMFMUGUBJRNCJL-LJQANCHMSA-N 393.399 4.026 5 50 GIBA Cc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c(C)c1[N+](=O)[O-] 679881 ORVNTEDYDWAMOX-UHFFFAOYSA-N 382.445 4.198 5 50 GIBA O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 4819609 JTLZKRBBYXYQLE-NRFANRHFSA-N 392.455 4.037 5 50 GIBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)ccc1O 4833636 XEQQFKWIMMGTSM-UHFFFAOYSA-N 386.585 4.073 5 50 GIBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 13330977 NXUUIGCAJOPBLT-UHFFFAOYSA-N 387.852 4.302 5 50 GIBA Cc1cc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)ccc1[N+](=O)[O-] 1100774 MZYBETNFSOKTKD-UHFFFAOYSA-N 377.352 4.342 5 50 GIBA COc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1Cl 2984336 SKGLIIPITJWWBO-UHFFFAOYSA-N 381.812 4.040 5 50 GIBA COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(Br)c1 4950657 AAZZUIJPSDFTLU-UHFFFAOYSA-N 385.601 4.272 5 50 GIBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5390761 UKUCBMWYUCNABO-UHFFFAOYSA-N 397.218 4.136 5 50 GIBA O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O 845976 QGADKQHDTQKBRG-UHFFFAOYSA-N 379.155 4.260 5 50 GIBA Cc1nn(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1Sc1ccccc1 2070513 PEYAPIDQUJSHHO-UHFFFAOYSA-N 398.400 4.156 5 50 GIBA CCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2912003 VBVVFCPMVVRRAI-KRWDZBQOSA-N 395.444 4.452 5 50 GIBA CCOC(=O)c1c(Nc2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 2997899 FPHAKSSGWQFOLP-UHFFFAOYSA-N 376.434 4.464 5 50 GIBA CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Br)c1 4691546 BZANYDOIDYCMHP-UHFFFAOYSA-N 393.237 4.246 5 50 GIBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 9272705 DBKXSRBRJUWKLY-UHFFFAOYSA-N 399.406 4.283 5 50 GIBA Cc1ccc2[nH]c(=O)c(-c3c4cn[nH]c4nc4c3oc3cc(O)ccc34)cc2c1 218239710 YQXHAVRKGTYJHM-UHFFFAOYSA-N 382.379 4.380 5 50 GIBA COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1 806022 PJKLPFUHQGWBBY-UHFFFAOYSA-N 390.808 4.028 5 50 GIBA Cc1c(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 4689757 MEFVZYJIERFYIM-QGZVFWFLSA-N 384.432 4.147 5 50 GIBA Cc1nn([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1[N+](=O)[O-] 1067452 KTTDWTUAXAQCOA-VIFPVBQESA-N 390.749 4.280 5 50 GIBA COc1ccccc1C(=O)Nc1sccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 4749999 YQBMVMSWHYLQGT-UHFFFAOYSA-N 397.412 4.170 5 50 GIBA O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 1136276 QUCIFCVCTQPANO-UHFFFAOYSA-N 396.321 4.076 5 50 GIBA O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1[N+](=O)[O-] 1171103 OOALBAAVJSZUDJ-UHFFFAOYSA-N 389.436 4.293 5 50 GIBA Cc1ccc(F)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)c1 253630140 MKEOMAUYPSJEFZ-UHFFFAOYSA-N 379.196 4.150 5 50 GIBA CC1(C)C(=O)[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccccc1 1149391 QAPCTRAIFUQAND-AVRDEDQJSA-N 395.411 4.067 5 50 GIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)cc1 4701965 PLUZOJKOBHEZFO-BJMVGYQFSA-N 376.865 4.311 5 50 GIBA CC(C)=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 95682045 KXQDQIMSDFPROD-UHFFFAOYSA-N 386.276 4.142 5 50 GIBA Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]3CCC1 846762 HOHOITXNTNVUIY-FQEVSTJZSA-N 375.428 4.391 5 50 GIBA CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 820319 QVKCNXXBVTZUHG-UPTIQUDWSA-N 379.416 4.213 5 50 GIBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(Cl)cn1 1207928 QYDIFFKWSUUGHZ-UHFFFAOYSA-N 395.758 4.236 5 50 GIBA Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]3CCC1 846763 HOHOITXNTNVUIY-HXUWFJFHSA-N 375.428 4.391 5 50 GIBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1178923 VAFNITVUYZZDGL-UHFFFAOYSA-N 388.207 4.168 5 50 GIBA COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 4038147 ZLCSGBYZBQGRGM-YCRREMRBSA-N 377.194 4.018 5 50 GIBA O=[N+]([O-])c1c(Nc2ccccc2O)cc(Nc2cccc(O)c2)c2nonc12 3880477 GDBFKJBLANDXJL-UHFFFAOYSA-N 379.332 4.029 5 50 GIBA Cc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 4958719 RXLQWERCLAGMHZ-UHFFFAOYSA-N 380.404 4.004 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccco2)cc1 5068348 JOLZNMWPHTYCQO-IZZDOVSWSA-N 377.356 4.092 5 50 GIBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 1175996 PXCBCKJFXJQOBM-UHFFFAOYSA-N 375.793 4.121 5 50 GIBA COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1[N+](=O)[O-] 3017632 OEMJJKGSEKSIMY-UHFFFAOYSA-N 375.812 4.109 5 50 GIBA O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc([N+](=O)[O-])cc1Cl 4809740 NHUQLJZCDNWTMV-UHFFFAOYSA-N 393.790 4.210 5 50 GIBA O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4629086 GNIWVFKKHNFQLJ-UHFFFAOYSA-N 387.439 4.224 5 50 GIBA Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2962844 JZJHVEKAGWMKGX-UHFFFAOYSA-N 380.385 4.420 5 50 GIBA Cc1cc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c2ccccc2n1 18284212 SRJMLUPEOSKSLG-UHFFFAOYSA-N 382.851 4.431 5 50 GIBA Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@H]([N+](=O)[O-])C(C)(C)[C@H]1[N+](=O)[O-] 217645387 BYFACTYMSQYNAL-YRPNKDGESA-N 383.448 4.006 5 50 GIBA COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 1172891 JCIYXKSOKHLXNF-UHFFFAOYSA-N 397.412 4.170 5 50 GIBA CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 1741714 JHUUECQLURLWII-UHFFFAOYSA-N 375.356 4.335 5 50 GIBA O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 1161195 VPBQKWUAEWQTNS-QHCPKHFHSA-N 398.418 4.235 5 50 GIBA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 1143816 GPCABEKOSPEIGT-UHFFFAOYSA-N 390.351 4.196 5 50 GIBA COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] 1164673 UAFZSNSWTDPOKQ-UHFFFAOYSA-N 390.355 4.059 5 50 GIBA CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1OC 245296156 KZUFRLKJCLWSAW-DCLXLUIPSA-N 390.544 4.440 5 50 GIBA biogenic COc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c1 4142493 QOWSFMCMERUXGH-PKNBQFBNSA-N 389.367 4.066 5 50 GIBA O=[N+]([O-])c1cc2c(cc1CN[C@@H](Cc1ccccc1)c1ccccc1)OCO2 19721004 WFCKVFCWBCCEQH-IBGZPJMESA-N 376.412 4.397 5 50 GIBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(Cl)cc1 4575565 VSVFSOKEPWUKGV-UHFFFAOYSA-N 387.745 4.109 5 50 GIBA Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 947366 XWFZDAWVJCLUQZ-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA Cc1cc(C)c(NC(=O)c2cccc(I)c2)c([N+](=O)[O-])c1 4919089 NCMDFPWGBRADDH-UHFFFAOYSA-N 396.184 4.069 5 50 GIBA CCC(=O)Nc1ccc2nc3ccc(NC(=O)CC)cc3[n+](-c3ccccc3)c2c1 102194338 UDSBOYQKSQKDDM-UHFFFAOYSA-O 399.474 4.362 5 50 GIBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl 2981815 BOQPYLIINZHLFN-UHFFFAOYSA-N 385.272 4.451 5 50 GIBA COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1NC(C)=O 2503705 SZCGKRITYPADFI-UHFFFAOYSA-N 382.463 4.303 5 50 GIBA Cc1cc(N2CCC[C@H](CC(C)(C)C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F 450636193 NHEBANRNPCJQCX-GFCCVEGCSA-N 387.402 4.040 5 50 GIBA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 1181746 ZQSHXDFLICCMFK-NSHDSACASA-N 387.461 4.249 5 50 GIBA Cc1cc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1Br 1205909 OCOATGJKWUUNJQ-UHFFFAOYSA-N 390.193 4.295 5 50 GIBA CC(=O)c1ccc(Nc2ncnc(Nc3ccc(C(C)=O)cc3)c2[N+](=O)[O-])cc1 4007431 YRKWGJBQBKRZCZ-UHFFFAOYSA-N 391.387 4.277 5 50 GIBA O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc3c(cc2N1)OCO3 4912349 ONJPBTYMAUAOSL-CQSZACIVSA-N 378.340 4.058 5 50 GIBA O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1ccccc1F 2762573 FIGXWDIQLZKVCL-UHFFFAOYSA-N 390.264 4.265 5 50 GIBA O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 914575868 KTYWSJATCJPMJB-UHFFFAOYSA-N 396.635 4.464 5 50 GIBA CCCc1cc(C(=O)OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 685907 BFUKQPLQGLINQZ-UHFFFAOYSA-N 382.825 4.301 5 50 GIBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3o2)cc1 1126903 WUXMTWUZFWXAGJ-UHFFFAOYSA-N 389.367 4.421 5 50 GIBA O=[N+]([O-])c1ccc(/C=C2\CCC[C@H]3C2=NN[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 5042913 SJMNREBVDHZEOD-WIGMZFAJSA-N 378.388 4.387 5 50 GIBA O=[N+]([O-])c1ccc(OC[C@@H](O)CN(C2CCCCC2)C2CCCCC2)cc1 4819929 ZXFVXOHVZVRJGX-FQEVSTJZSA-N 376.497 4.302 5 50 GIBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 5101312 CGXLCOSXHFQXNA-UHFFFAOYSA-N 381.624 4.356 5 50 GIBA O=C(COC(=O)c1ccccc1Nc1ccccc1)c1cccc([N+](=O)[O-])c1 3075278 ZQDIRBXIISGOJZ-UHFFFAOYSA-N 376.368 4.378 5 50 GIBA Nc1c(-c2cccs2)c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 1064286 KVPPDBKACGPXEV-UHFFFAOYSA-N 377.425 4.269 5 50 GIBA CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 1067374 IZOSQZSZZGLKKI-UHFFFAOYSA-N 384.417 4.195 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C)cc1OC(F)F 4999203 CKXHKBJSLQHKIN-UHFFFAOYSA-N 383.376 4.322 5 50 GIBA Cc1ccc([C@@H]2CCCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)o1 170634379 IPAGKVHSTRGKGZ-IBGZPJMESA-N 394.431 4.439 5 50 GIBA CC[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1cccc([N+](=O)[O-])c1 301501012 AVNIQEYGRUXRAO-KRWDZBQOSA-N 375.432 4.499 5 50 GIBA O=[N+]([O-])c1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)cc1C(F)(F)F 223572081 QIWYVNUDTFLKOC-ZDUSSCGKSA-N 379.338 4.110 5 50 GIBA Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] 1129613 WRCOQTHDTVRLML-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 1183520 ZQVPTJXZFBREJA-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 4368226 XVCAWBJNWONTKW-GFCCVEGCSA-N 378.812 4.280 5 50 GIBA C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)c[nH]1 170616191 NKLLAOAXXIHKEZ-SNVBAGLBSA-N 388.225 4.316 5 50 GIBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1cccc(Br)c1 225848458 NHJXRUVWBAZPKK-QGZVFWFLSA-N 388.221 4.055 5 50 GIBA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 4839508 DFCBNEBGRJIHKN-UHFFFAOYSA-N 394.258 4.172 5 50 GIBA Cc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2101566 FEHPSJVOZNZIHA-UHFFFAOYSA-N 399.281 4.005 5 50 GIBA CCc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 1114135 NDPINPZPLVRTCM-UHFFFAOYSA-N 396.184 4.014 5 50 GIBA CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccccc1 1149389 QAPCTRAIFUQAND-PGRDOPGGSA-N 395.411 4.067 5 50 GIBA CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2sc1=O 1233080 VLLMCCMUNSUBRS-MRXNPFEDSA-N 383.425 4.376 5 50 GIBA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4687302 QDQUOKFSSIUBEP-UHFFFAOYSA-N 383.492 4.284 5 50 GIBA O=C1c2ccc(-c3nc4cc([N+](=O)[O-])ccc4o3)cc2C(=O)N1Cc1ccccc1 2878081 VUAFWSWWNOVJAG-UHFFFAOYSA-N 399.362 4.199 5 50 GIBA Cn1ncc2c(C3=Cc4ccccc4OC3)c3oc4cc(O)cc(O)c4c3nc21 409415362 CPIFPTJVFUDYDJ-UHFFFAOYSA-N 385.379 4.212 5 50 GIBA biogenic C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2838215 IDETUEDQJFLGIP-OAHLLOKOSA-N 389.411 4.338 5 50 GIBA N=c1c2c(=O)oc3ccccc3c2ccn1C1CCN(Cc2ccccc2)CC1 1776111349 QKXAUYJGOHTPMK-UHFFFAOYSA-N 385.467 4.064 5 50 GIBA O=C(Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1136006 VFNSXIAFAIVVTA-UHFFFAOYSA-N 376.368 4.204 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1c(F)cccc1Cl 2813443 IPROIRBCLBIEBH-BQYQJAHWSA-N 394.855 4.450 5 50 GIBA CN(C)Cc1ccc(NC(=O)c2ccc3[nH]c4ccc(F)cc4c(=O)c3c2)cc1 823708541 ODCTWHTUTXSHNY-UHFFFAOYSA-N 389.430 4.134 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1O 4828584 KQMDWGFHFASDQZ-OUKQBFOZSA-N 385.379 4.170 5 50 GIBA O=c1c2c3c(sc2nc2c4ccccc4c(N4CCCCC4)nn12)CCCC3 628572 GUXOBGYZPOMQRV-UHFFFAOYSA-N 390.512 4.327 5 50 GIBA CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4614013 AEOMELWRHSHWFU-UHFFFAOYSA-N 385.203 4.318 5 50 GIBA Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2cccc([N+](=O)[O-])c2)CC1 2858119 SRXSAGFYHIYHMR-UHFFFAOYSA-N 390.896 4.076 5 50 GIBA COc1cc2c(cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)oc1ccccc12 4548649 WHOXLURNHKROCI-UHFFFAOYSA-N 398.396 4.304 5 50 GIBA COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1F 631229 IAGIMHLZFFWNJI-UHFFFAOYSA-N 378.355 4.356 5 50 GIBA Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 828080 GSMFIMMCIBEMDH-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 13603384 FUONGWBTJSAQBD-QZTJIDSGSA-N 382.441 4.426 5 50 GIBA COc1ccc(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 4810947 WSQRIAGGRRELOG-UHFFFAOYSA-N 376.166 4.083 5 50 GIBA O=C(c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 5041945 GJVQTBRLFOOABA-UHFFFAOYSA-N 384.461 4.030 5 50 GIBA O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Br)cc1 1049466 URWCLDLKWWONPS-UHFFFAOYSA-N 397.184 4.311 5 50 GIBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F 2856690 YNEQIUHBTRYPQB-UHFFFAOYSA-N 399.241 4.368 5 50 GIBA O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCc1ccc(Cl)cc1 239539170 AVQBXPHJTFIPRJ-UHFFFAOYSA-N 385.222 4.332 5 50 GIBA Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccccc2)o1 4498699 KGTFDZLFVGYUHD-UHFFFAOYSA-N 391.427 4.126 5 50 GIBA O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 4615289 PRUSCSDOVWQPSU-UHFFFAOYSA-N 375.222 4.189 5 50 GIBA COc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl 5028004 JYGKXXFJSMVGKG-UHFFFAOYSA-N 389.839 4.499 5 50 GIBA O=[N+]([O-])c1ccc(OC[C@@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 1115472 BYBPUZPUFIIZSC-NRFANRHFSA-N 378.428 4.041 5 50 GIBA CC(C)(C)c1ccc(C(=S)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 4192927 VUWMIGQIDUJNEZ-UHFFFAOYSA-N 383.517 4.390 5 50 GIBA CCNc1cc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c2nonc12 4949617 LBCUHENQMDUOQG-UHFFFAOYSA-N 378.186 4.069 5 50 GIBA COc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 4982365 NBWICBGEWHSMDV-UHFFFAOYSA-N 381.392 4.198 5 50 GIBA O=[N+]([O-])c1ccc(OC[C@H](O)CN(C2CCCCC2)C2CCCCC2)cc1 4819928 ZXFVXOHVZVRJGX-HXUWFJFHSA-N 376.497 4.302 5 50 GIBA CCCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2912002 VBVVFCPMVVRRAI-QGZVFWFLSA-N 395.444 4.452 5 50 GIBA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c1 4622102 KJHBSPYENBDZQW-UHFFFAOYSA-N 387.461 4.209 5 50 GIBA CN1CCN(c2ccc([N+](=O)[O-])c(Sc3cccc4cccnc34)c2)CC1 4455728 ZULOVBFMKRZWJC-UHFFFAOYSA-N 380.473 4.046 5 50 GIBA COc1cc(/C=C\[N+](=O)[O-])c(Br)cc1OCc1ccccc1F 4917164 VBFCGBNPEQIVST-SREVYHEPSA-N 382.185 4.423 5 50 GIBA O=C(Nc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc([N+](=O)[O-])s1 225468043 NSAARRHUHBAETJ-UHFFFAOYSA-N 393.222 4.061 5 50 GIBA O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1cccc([N+](=O)[O-])c1 1119030 KSFRKXNJRWOJDZ-UHFFFAOYSA-N 399.786 4.105 5 50 GIBA Cc1ccc(-c2nc(CCNc3ccc(C(=O)O)cc3[N+](=O)[O-])cs2)cc1 4051748 NHODXUAGJYYEDY-UHFFFAOYSA-N 383.429 4.380 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 993948 GTUITAFPQKUNEL-NSHDSACASA-N 388.445 4.210 5 50 GIBA O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc(=S)n2-c1ccccc1 1059889 VETAONACIBLEKE-AWEZNQCLSA-N 384.442 4.031 5 50 GIBA COc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 4419835 UIYVTNQCWVNVJZ-NTEUORMPSA-N 399.406 4.473 5 50 GIBA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2850356 VFBUBWXGCBLCDK-SECBINFHSA-N 385.203 4.316 5 50 GIBA Cc1cc(N2CCC(Cc3cccnc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 1875255999 BWWFHZMZLCBVMX-UHFFFAOYSA-N 389.459 4.214 5 50 GIBA O=c1[nH]c(/C=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)nc(O)c1[N+](=O)[O-] 16361421 QLDIQSYEQLMWCZ-UTCJRWHESA-N 394.170 4.121 5 50 GIBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2-c1ccccc1 2733604 SMDFTUZWILNMHN-UHFFFAOYSA-N 388.383 4.091 5 50 GIBA Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cc3c(cc12)CCC3 4982123 RBPIDRWRBBXZMA-UHFFFAOYSA-N 388.471 4.267 5 50 GIBA Cc1nn(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1 1190194 HAIDHYKYWXJUGR-UHFFFAOYSA-N 383.429 4.279 5 50 GIBA O=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 1209793 SNTIRSSUKRMWLB-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 5101364 IMXUDQRAPNGJAU-XNWCZRBMSA-N 377.194 4.018 5 50 GIBA O=C(Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1)c1ccccc1 1133128 RGAZHYHBYKORJG-UHFFFAOYSA-N 379.347 4.239 5 50 GIBA COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1ccc(NC(C)=O)cc1 170613095 DXRYPKDPWAABRU-UHFFFAOYSA-N 380.809 4.144 5 50 GIBA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 170624837 YWXMDBGIGIPQLG-LRAJWGHMSA-N 395.459 4.160 5 50 GIBA CC1=C(C)C[C@H]2C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 13424124 FJCJXTYCNLBKCY-BGYRXZFFSA-N 376.412 4.498 5 50 GIBA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1068260 CCACFHBQEJMMNK-WJDWOHSUSA-N 378.315 4.338 5 50 GIBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 408420578 XXWKPCYPOMPIHX-FRXJQCMVSA-N 375.469 4.005 5 50 GIBA O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1F 170607503 DOCLTZDTDHGEKL-RHSMWYFYSA-N 384.329 4.061 5 50 GIBA CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)OC 1113364 QTGOHCJIVUKEAQ-UHFFFAOYSA-N 382.825 4.219 5 50 GIBA COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] 1128320 WHWLAYCSTWUWSR-OVCLIPMQSA-N 390.804 4.498 5 50 GIBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 4081941 SOBNHGUOXRUBKT-UHFFFAOYSA-N 389.455 4.345 5 50 GIBA CCOc1ccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1773228 NSGGUIPDEJGXGV-UHFFFAOYSA-N 385.405 4.156 5 50 GIBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 3067855 ZLTLWQREWGVWAM-OAHLLOKOSA-N 382.441 4.301 5 50 GIBA C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)c[nH]1 170616190 NKLLAOAXXIHKEZ-JTQLQIEISA-N 388.225 4.316 5 50 GIBA CCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 1207337 RFCHNLLBKCHPME-UHFFFAOYSA-N 385.426 4.117 5 50 GIBA O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-])c2O)c1O 1845622 ZAOJWJAARUYTMA-UHFFFAOYSA-N 377.161 4.372 5 50 GIBA CN(Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1)Cc1cscn1 111427816 HGDQZRAZPJDIMQ-UHFFFAOYSA-N 397.460 4.327 5 50 GIBA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1775965080 UESDFBDQMHTXPK-ROUUACIJSA-N 384.388 4.217 5 50 GIBA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccc([N+](=O)[O-])c1 1208992 YZGYNNQQTWXMPC-UHFFFAOYSA-N 375.340 4.361 5 50 GIBA O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1 8741136 QDVLEZKBWCTXOP-AWEZNQCLSA-N 384.442 4.031 5 50 GIBA COc1ccc(CNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 4840008 NNURIYCBRCTCHB-UHFFFAOYSA-N 386.791 4.447 5 50 GIBA Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1F 63121420 DLHWTWPKUOALEL-UHFFFAOYSA-N 392.818 4.050 5 50 GIBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 1216927 KPUYVYFOIXRKIL-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 2830730 LFCULQNZOJIOPS-UHFFFAOYSA-N 398.488 4.020 5 50 GIBA O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2088209 GJIQRTKBWPFDJQ-UHFFFAOYSA-N 396.384 4.302 5 50 GIBA O=C(Nc1cc(Cl)ccc1F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13961526 BCSRRYJABNHOEA-UHFFFAOYSA-N 377.803 4.242 5 50 GIBA COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C)C 100528304 LTDHBWYZXAAGFY-UHFFFAOYSA-N 399.315 4.020 5 50 GIBA CCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2sc1=O 1233079 VLLMCCMUNSUBRS-INIZCTEOSA-N 383.425 4.376 5 50 GIBA Cn1c(COc2ccccc2)nnc1Sc1ccc(Cl)cc1[N+](=O)[O-] 4978631 WBFLRBYCJDGNMY-UHFFFAOYSA-N 376.825 4.107 5 50 GIBA O=C1N[C@H](c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1 8739012 QDVLEZKBWCTXOP-CQSZACIVSA-N 384.442 4.031 5 50 GIBA O=C(Nc1ccn(Cc2ccccn2)n1)c1cc2ccccc2c2cccnc12 225523367 KOXZXWSMHYCKQE-UHFFFAOYSA-N 379.423 4.280 5 50 GIBA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 4740453 SKQZOYPBDOBXEG-UHFFFAOYSA-N 385.420 4.230 5 50 GIBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(C(=O)Oc2ccccc2)cc1 1130278 BOORLOGTRZWMMV-UHFFFAOYSA-N 391.379 4.100 5 50 GIBA COc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 2861312 ICESZKCYTOBPAB-UHFFFAOYSA-N 379.328 4.257 5 50 GIBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 1161488 UAKZPDPNWUDSHB-UHFFFAOYSA-N 376.397 4.179 5 50 GIBA Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(Br)c1 1205924 YIBBXQABSWPEMH-UHFFFAOYSA-N 390.193 4.295 5 50 GIBA O=C(Nc1ccccc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4868270 OPIBJWJAPLJCLO-UHFFFAOYSA-N 390.237 4.210 5 50 GIBA O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 948453 MAYOQFFIYYPGEI-UHFFFAOYSA-N 386.713 4.479 5 50 GIBA CCC(=O)N=c1ccc2nc3ccc(NC(=O)CC)cc3n(-c3ccccc3)c-2c1 526055869 KZCOYRILXMBKNV-UHFFFAOYSA-N 398.466 4.316 5 50 GIBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C 1088516 NHPKZSAZSMTBHK-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1200456 GVKULQIQPFJBRS-HMMYKYKNSA-N 387.395 4.004 5 50 GIBA Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 1203557 SRNMSEWNTZSKHY-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1Cc1ccccc1 4867314 DBPYHVLPASDFQR-UHFFFAOYSA-N 395.466 4.458 5 50 GIBA Cc1ccc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 2868335 DHKPIQFHPKKIED-UHFFFAOYSA-N 375.380 4.491 5 50 GIBA Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nc(C)c(Cl)c3C)nc12 13960881 MXXOYQDEKVNQKL-UHFFFAOYSA-N 397.895 4.019 5 50 GIBA COCCn1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c2ccccc21 178678932 ZEHUKSQLTQGXGU-UHFFFAOYSA-N 393.443 4.001 5 50 GIBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 1033730 GMEBJOWRLQXSSG-UHFFFAOYSA-N 387.486 4.074 5 50 GIBA Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1[N+](=O)[O-] 1126986 ZVQNDWKQAINNEX-UHFFFAOYSA-N 381.251 4.397 5 50 GIBA O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 1154654 AVCGCINTHRCDDE-UHFFFAOYSA-N 388.836 4.137 5 50 GIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1ccco1 1217927 IOIJOUKZJUNCJN-UHFFFAOYSA-N 395.371 4.009 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC1CCN(Cc2ccc(SC)cc2)CC1 4749428 CPERZVCDKXLMRR-UHFFFAOYSA-N 387.505 4.402 5 50 GIBA CC(C)[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1nncn1C 253417959 JAICQVFMXWEAPB-LBPRGKRZSA-N 377.754 4.205 5 50 GIBA Cc1nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)ccc1[N+](=O)[O-] 328596406 NNHJDLNULNRCDN-BZNIZROVSA-N 381.354 4.283 5 50 GIBA O=C(Oc1ccc2c(c1Br)CCCC2)c1ccc([N+](=O)[O-])cc1 2849019 IYGNIOJRDRPWME-UHFFFAOYSA-N 376.206 4.455 5 50 GIBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccccc1 2890913 KHWXPTKFVMWCIA-UHFFFAOYSA-N 385.470 4.127 5 50 GIBA O=Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1 2999144 PZSSNIODIZKKQI-UHFFFAOYSA-N 384.569 4.042 5 50 GIBA O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc(=S)n2-c1ccccc1 1059893 VETAONACIBLEKE-CQSZACIVSA-N 384.442 4.031 5 50 GIBA CCCCc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)cc1 2842894 OJLTTZGQCRIGOE-UHFFFAOYSA-N 396.399 4.305 5 50 GIBA Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 1172530 MULOUNYPXPEMLQ-UHFFFAOYSA-N 384.244 4.337 5 50 GIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 2850381 LKZRHHOMBIFLKS-NSHDSACASA-N 379.210 4.072 5 50 GIBA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 1125664 CONPVFXWICQINP-UHFFFAOYSA-N 391.383 4.108 5 50 GIBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCCCCC1 2890898 GQBVKTQACSFXRU-UHFFFAOYSA-N 377.491 4.213 5 50 GIBA CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(OCC)c1OCC 1189144 YIZJNVYJYUGVSI-UHFFFAOYSA-N 392.383 4.182 5 50 GIBA CC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 2998005 HPGXXVNCRNGDBS-UHFFFAOYSA-N 387.442 4.138 5 50 GIBA CN(c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-])C1CCCCC1 4164513 MOFDOPHJWQYOLK-UHFFFAOYSA-N 392.459 4.278 5 50 GIBA COc1cc2ncnc(N(C(C)=O)c3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-] 112966169 LTZBDIKMPORGBC-UHFFFAOYSA-N 390.758 4.024 5 50 GIBA O=C(NCCCF)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 152635696 HOFKUCJYQRUTPM-UHFFFAOYSA-N 399.781 4.338 5 50 GIBA CCOc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 957099 KLFLWTFJCZSFFL-UHFFFAOYSA-N 399.428 4.135 5 50 GIBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1nc2ccccc2s1 45068320 RMSBUTWWRYWUNU-UHFFFAOYSA-N 386.414 4.077 5 50 GIBA Cc1ccc(-n2c(=O)ccc3cnc4ccc(Br)cc4c32)cc1N 214478881 SDOFRPNJOYYHNA-UHFFFAOYSA-N 380.245 4.192 5 50 GIBA CCOc1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 1747576 RPGNFKMLBPXTGN-UHFFFAOYSA-N 385.405 4.156 5 50 GIBA COc1ccc2nc3c(c(NC(=O)c4ccc([N+](=O)[O-])cc4)c2c1)CCCC3 5930548 NNBLLQSLIZADJU-UHFFFAOYSA-N 377.400 4.283 5 50 GIBA O=C(NC[C@@H]1CCCO1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 1120908 QXYQXYGIEYUIIA-LBPRGKRZSA-N 392.864 4.308 5 50 GIBA COC(=O)c1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2381122 YZDMUDGVBSGEDN-UHFFFAOYSA-N 386.238 4.101 5 50 GIBA O=C(O)C[C@H](NC(=O)CCC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 4686819 VCSIVGWPJHXVMI-INIZCTEOSA-N 382.844 4.241 5 50 GIBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1217567 IDMMOHNKLLWPPQ-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 851576 OJKMVOMPAKGIDF-UHFFFAOYSA-N 384.413 4.496 5 50 GIBA CCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2913035 ZYMWJNSWORWDQX-KRWDZBQOSA-N 395.444 4.452 5 50 GIBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCC12CC3CC(CC(C3)C1)C2 17076818 PDUZIHDZJCRLIL-UHFFFAOYSA-N 375.494 4.106 5 50 GIBA Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccc(Cl)cc12 23634125 ZKDPOOKAUAWXQJ-UHFFFAOYSA-N 382.851 4.431 5 50 GIBA O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1147585 QEMOVVPFHUXNST-UHFFFAOYSA-N 391.379 4.214 5 50 GIBA CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12 4807414 LBDVFICHPJWDIZ-UHFFFAOYSA-N 396.399 4.274 5 50 GIBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc3ccccc3c12 5592848 DRYRGQKCYJQGPO-UHFFFAOYSA-N 388.379 4.408 5 50 GIBA COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 5013917 ZSIDPQHEPKJNSV-UHFFFAOYSA-N 378.384 4.435 5 50 GIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1Cl 5023265 RHVZVGPSOZYRSU-JXMROGBWSA-N 376.865 4.311 5 50 GIBA CCCCCCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 37637242 PMEJDQALAUDPNG-UHFFFAOYSA-N 390.461 4.337 5 50 GIBA O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])c(O)c1 242273534 YDNKHVHNBLVRDD-AWEZNQCLSA-N 399.453 4.415 5 50 GIBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 861829 ZXWCYIOENOXSIM-UHFFFAOYSA-N 388.445 4.354 5 50 GIBA CCCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 2916301 MMXGXLTWDCICKS-INIZCTEOSA-N 399.432 4.435 5 50 GIBA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1 169620736 YRDPOYBSICWRKN-KODHJQJWSA-N 398.846 4.430 5 50 GIBA CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 1172722 JTAIEKVRAKVGFF-ZDLGFXPLSA-N 393.424 4.264 5 50 GIBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)COc1ccc(Cl)cc1Cl)CCC2 252441006 AKHPLUPJRABLGT-ORHBMQHOSA-N 387.327 4.325 5 50 GIBA biogenic CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 993968 PSMJLWVJCNQVIN-LLVKDONJSA-N 388.445 4.210 5 50 GIBA CC(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 2060575 BBPHOYYXIRSQRL-UHFFFAOYSA-N 387.442 4.138 5 50 GIBA COc1ccccc1[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 2758730 QKVLMIXHPFSYCW-SFTDATJTSA-N 390.395 4.139 5 50 GIBA CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)OC)C1 1218051 CAJDKXBGBBPTPR-NSHDSACASA-N 388.445 4.210 5 50 GIBA Cc1cccnc1NC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 4865783 ROXKLQVNRURSHH-UHFFFAOYSA-N 376.416 4.205 5 50 GIBA Cc1cccc(-c2nnc(S)n2-c2ccc(Br)cc2)c1[N+](=O)[O-] 1497137 SFTUYBOJEICHCC-UHFFFAOYSA-N 391.250 4.202 5 50 GIBA Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 217713961 BOQWUPHUSDEKCJ-YRPNKDGESA-N 383.448 4.006 5 50 GIBA aggregator O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1F 1110007 KIEBPFQKCKKIAT-UHFFFAOYSA-N 379.347 4.239 5 50 GIBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 1137419 NUKWIWHEJQUEOW-UHFFFAOYSA-N 391.811 4.248 5 50 GIBA Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4907194 UZLLXTVMUNKHII-UHFFFAOYSA-N 376.796 4.019 5 50 GIBA Cc1cc(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F 450636394 NHEBANRNPCJQCX-LBPRGKRZSA-N 387.402 4.040 5 50 GIBA COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 4368227 RLKFCWXTMAXTNW-LBPRGKRZSA-N 378.812 4.280 5 50 GIBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc(O)c1 4438112 MDKFYECLIONYML-JLHYYAGUSA-N 385.379 4.170 5 50 GIBA Cc1ccc(Sc2nc([N+](=O)[O-])nn2CC(=O)c2ccc(Cl)cc2)cc1 1127541 ZZLVXJVHHVVPJG-UHFFFAOYSA-N 388.836 4.182 5 50 GIBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 1230774 WDSHYSMIXNILPG-UHFFFAOYSA-N 380.731 4.068 5 50 GIBA O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccco1 1411740 GLYWZYNITCGWQB-UHFFFAOYSA-N 385.763 4.346 5 50 GIBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 2860656 QJCKLTOZTXYSKM-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2c1 1170933 VMBSYDNCXMJHDL-UHFFFAOYSA-N 378.384 4.108 5 50 GIBA Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Br 1215793 XHKSRANQQJHMOM-UHFFFAOYSA-N 399.628 4.337 5 50 GIBA O=C(COc1ccc(Br)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 4755463 KMABJMQHIHUFBZ-UHFFFAOYSA-N 385.601 4.028 5 50 GIBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccc(Cl)cc3)nn21 1447501 IGTLSEYWUYZBDQ-CQSZACIVSA-N 386.820 4.384 5 50 GIBA O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4955208 DTCGYGISOJIBDC-UHFFFAOYSA-N 394.339 4.301 5 50 GIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1N1CCCCC1 1065246 YLOJPOAOZVRCDZ-UHFFFAOYSA-N 389.839 4.256 5 50 GIBA O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)c(F)cc1Cl 4599325 AMAJBGDNDWMKGP-UHFFFAOYSA-N 390.173 4.022 5 50 GIBA O=[N+]([O-])c1ccc(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 5042911 SJMNREBVDHZEOD-PQOYOPPMSA-N 378.388 4.387 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 935638 NDDVIMWZIJOWHC-LBPRGKRZSA-N 378.812 4.280 5 50 GIBA Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1[N+](=O)[O-] 2762379 RYCHNSBALFLEDA-UHFFFAOYSA-N 388.811 4.264 5 50 GIBA O=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)c1ccc(Cl)cc1 100721936 YSDJYTGOVRSIGZ-UHFFFAOYSA-N 388.807 4.199 5 50 GIBA Cc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)oc2ccccc12 1178774 GZGPDIHICAIVNI-UHFFFAOYSA-N 389.820 4.430 5 50 GIBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 4091684 RWZXUTZRUVTINA-UHFFFAOYSA-N 391.452 4.240 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 4663319 WKCRCRDCFWWSRF-RUDMXATFSA-N 375.837 4.083 5 50 GIBA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)n1 1124050 UFJFKQWJFFPUSP-UHFFFAOYSA-N 385.807 4.408 5 50 GIBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 1218455 XCQKLPRGRSJANQ-UHFFFAOYSA-N 387.399 4.198 5 50 GIBA COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c2ccccc12 865153 BFRDBRBGAXZPIF-UHFFFAOYSA-N 391.471 4.074 5 50 GIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(Cl)ccc1Cl 1179834 GVSVXEBTMCJSPB-QPJJXVBHSA-N 396.255 4.428 5 50 GIBA Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 2886556 AOYQDYYBEIWDBW-UHFFFAOYSA-N 390.749 4.191 5 50 GIBA Cc1nc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cs1 4036431 DHIQGLLXUWOMLL-UHFFFAOYSA-N 389.458 4.136 5 50 GIBA O=[N+]([O-])c1cccc(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2cccc([N+](=O)[O-])c2)c1 5042920 RGRTYFKGIAIUIH-BUAKIRPOSA-N 378.388 4.387 5 50 GIBA C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 444990886 JVJLNNHIWRIQKK-RUZDIDTESA-N 382.463 4.485 5 50 GIBA Cc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] 2979686 UMKNQUCNHJEXCP-UHFFFAOYSA-N 375.384 4.408 5 50 GIBA NC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2 996953 JYCRCUBPIBNIED-ZHACJKMWSA-N 399.472 4.066 5 50 GIBA O=[N+]([O-])c1cn(Cc2csc(CCc3ccccc3)n2)nc1C(F)(F)F 170596265 QVBZTUFIELLWPJ-UHFFFAOYSA-N 382.367 4.100 5 50 GIBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 408420576 XXWKPCYPOMPIHX-AHAHFWPDSA-N 375.469 4.005 5 50 GIBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 826484 OFRCZUMJLGVFRS-UHFFFAOYSA-N 397.140 4.064 5 50 GIBA COc1ccc([N+](=O)[O-])cc1NC(=O)C1c2ccccc2Oc2ccccc21 851845 JKRLBLUQSNBDMC-UHFFFAOYSA-N 376.368 4.480 5 50 GIBA Cc1ccc([N+](=O)[O-])c(OCCSc2nnc3sc4ccccc4n23)c1 1746311 HIDQZLADKWLFAB-UHFFFAOYSA-N 386.458 4.332 5 50 GIBA O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 1775965081 UESDFBDQMHTXPK-ZWKOTPCHSA-N 384.388 4.217 5 50 GIBA O=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1CCc1ccccc1 40398829 SKCNINIIHZAOGG-UHFFFAOYSA-N 385.467 4.069 5 50 GIBA CC(C)c1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(F)cc1 124920573 GXYDZOXBJURICC-UHFFFAOYSA-N 384.367 4.001 5 50 GIBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCC2 651616 IIIGQDCNTJSOQW-UHFFFAOYSA-N 388.445 4.273 5 50 GIBA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccc3ccccc3c12 5592850 ZHVSKBLNGJNHIU-UHFFFAOYSA-N 388.379 4.408 5 50 GIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 5793123 VFHISLWFODSMHM-UHFFFAOYSA-N 388.811 4.264 5 50 GIBA CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 1148607 UPVLOASJAIAISW-KRWDZBQOSA-N 388.221 4.055 5 50 GIBA O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(Cl)c1 4180810 WRAWEKPXIMMARG-UHFFFAOYSA-N 397.218 4.136 5 50 GIBA CC(C)(CNC(=O)c1ccc(F)cc1)CNc1ccc([N+](=O)[O-])cc1Cl 4740947 DWTOWLIIIZYOAV-UHFFFAOYSA-N 379.819 4.255 5 50 GIBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(Br)c1 225848443 NHJXRUVWBAZPKK-KRWDZBQOSA-N 388.221 4.055 5 50 GIBA O=C(CSCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 4573099 DTTPBKPFTQEPAC-UHFFFAOYSA-N 395.440 4.058 5 50 GIBA O=C(NCCCCNc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl 4619230 ZYQPHGQEBVNPFK-UHFFFAOYSA-N 383.782 4.149 5 50 GIBA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 1002597 ZVRSZLXXWILANL-UHFFFAOYSA-N 391.214 4.399 5 50 GIBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 1173578 SLERPHVEOZCVBK-UHFFFAOYSA-N 393.852 4.162 5 50 GIBA CC(=O)Oc1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1[N+](=O)[O-] 4907113 WUEBSYLSJUXWDW-RMKNXTFCSA-N 392.367 4.164 5 50 GIBA CCc1cccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 956485 YKNQPTWTBJRLDQ-UHFFFAOYSA-N 383.429 4.298 5 50 GIBA CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 6872016 AWBMKRHIWOVOHG-AZUAARDMSA-N 395.415 4.083 5 50 GIBA