smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(Br)cc1/C=N/NC(=O)CC1=NNC(=O)C1 100942784 HBFQASPQPPEJHW-VIZOYTHASA-N 353.176 1.174 50 50 FDGA CCc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1 13320592 QFHHRKDZGZMNNC-IQFISFIMSA-N 351.472 1.761 50 50 FDGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCC(C)C 2892282 FQVBLLIWYAEAPR-CAOOACKPSA-N 356.220 1.680 50 50 FDGA O=C(NN=c1ccc2nncn2[nH]1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F 2325750506 JNAGBRFEZBDOCC-ZYHUDNBSSA-N 360.780 1.976 50 50 FDGA O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 101929939 JNWDNRBBPAVRMA-HUBLWGQQSA-N 371.466 1.080 50 50 FDGA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)/C=C/C(=O)O 2789230 FWOWKLQPVIDTMZ-BRAIEQGRSA-N 361.181 1.939 50 50 FDGA COc1ccc(CCNC(=S)NNC(=O)c2ccoc2C)cc1OC 2858437 OTDXEASNBNSJCC-UHFFFAOYSA-N 363.439 1.957 50 50 FDGA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C1I 100993380 RXRWHNYBBVHTED-UWVGGRQHSA-N 367.146 1.270 50 50 FDGA Cc1cccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)c1 409058391 MYVIGMCOXMLLKQ-FMCGGJTJSA-N 372.388 1.880 50 50 FDGA COc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccc(C)cc32)cc1 17730010 AVFPTCMCEGCTIW-UZYVYHOESA-N 353.378 1.879 50 50 FDGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=S)NC[C@@H]1CCCO1 6763132 VLPYJSZVPHDDMH-GWCFXTLKSA-N 368.415 1.036 50 50 FDGA CCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)OCBr 4530175 HVFMLGCCMKLLFX-XNTDXEJSSA-N 374.147 1.821 50 50 FDGA CC(C)C[C@H](C(=O)NNC(=O)c1ccco1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252444294 TUYCZHYQKWRYTJ-MGPQQGTHSA-N 373.409 1.407 50 50 FDGA O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)NC1CCCCC1 2859830 ZMAACETVSZGZAT-UHFFFAOYSA-N 353.806 1.315 50 50 FDGA O=C(O)CCSSCCNC(=O)CCc1nc2cccnc2[nH]1 2325895281 RAVCWXLUGULVAX-UHFFFAOYSA-N 354.457 1.863 50 50 FDGA C[C@H](Cl)C(=O)N1C[C@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 1875363926 DPKRHFLZITWOBC-SWLSCSKDSA-N 351.834 1.182 50 50 FDGA CCn1ncc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C)c1C 2802379 IAZZUJGBPMAEPG-UHFFFAOYSA-N 371.417 1.672 50 50 FDGA C[Si](C)(C)[Si](OS(C)(=O)=O)(OS(C)(=O)=O)[Si](C)(C)C 169794767 PEDWZBPHGJKABG-UHFFFAOYSA-N 364.666 1.214 50 50 FDGA COc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 805407 VHZVOTMLRSBXLK-UHFFFAOYSA-N 351.340 1.227 50 50 FDGA O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccccc1[N+](=O)[O-] 8994462 TYYRCNXSLCGOHA-UHFFFAOYSA-N 368.305 1.217 50 50 FDGA CN1CCC(=NNC(=O)C(=O)Nc2cccc(Br)c2)CC1 55433859 XJNLHQGCRWMGMH-UHFFFAOYSA-N 353.220 1.585 50 50 FDGA COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 2897923 MMDXERSEYCJNDG-VCHYOVAHSA-N 372.337 1.701 50 50 FDGA Cc1cccc(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 100432497 CLRGQYRSFKDDRN-UHFFFAOYSA-N 354.322 1.755 50 50 FDGA O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1 13622991 UKBPHWRLMRRMGA-OAHLLOKOSA-N 352.394 1.888 50 50 FDGA O=C(CCCl)N1CN(C(=O)CCCl)CN(C(=O)CCCl)C1 2035645 WCXJRMAQDBCAKU-UHFFFAOYSA-N 358.653 1.245 50 50 FDGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 239274691 AOQNHRQWCDISGJ-VRUQUDLLSA-N 360.410 1.657 50 50 FDGA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=S)NC[C@@H]1CCCO1 2853368 PVPXKUYNGLEKES-WBMJQRKESA-N 363.483 1.617 50 50 FDGA Cc1cc(Br)ccc1NC(=O)c1ccc(F)c(B(O)O)c1 169744263 YPAJIHNCTOTKHS-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA COc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)c(OC)c1OC 4263901 HTLZMJWRTCPXRW-VXLYETTFSA-N 369.381 1.607 50 50 FDGA COc1nn([C@H](C)C(=O)NNC(=S)NC2CCCCC2)cc1[N+](=O)[O-] 2856784 LNLUIWABZVTRBL-SECBINFHSA-N 370.435 1.189 50 50 FDGA Cc1nn(C)c(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1Cl 5060897 RZSMGBDKQFFWCV-UHFFFAOYSA-N 352.738 1.757 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2505879 VFATZMNKVASGAJ-AWQFTUOYSA-N 355.350 1.304 50 50 FDGA N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1Br 634306 AOQQIJGZNMGPOT-SECBINFHSA-N 361.155 1.044 50 50 FDGA N#Cc1cc(C#N)c(SCC(=O)NNc2ccc([N+](=O)[O-])cc2)nc1N 1848444054 FXZVGBPJCUTSBJ-UHFFFAOYSA-N 369.366 1.551 50 50 FDGA CN(C)c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1[N+](=O)[O-] 5017992 MPJDQSBARCBTKE-KPKJPENVSA-N 367.369 1.368 50 50 FDGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 2532860 BYGJCMSPIVRGHG-CIAFOILYSA-N 355.394 1.974 50 50 FDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 4229196 JJAKMQNUIIHRON-SSDVNMTOSA-N 362.389 1.717 50 50 FDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1 4259733 IUROOLSYCIGWIT-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA O=C(Nc1ccc(O)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239248112 YBVXLYDEKJABPR-GRRRKWKPSA-N 352.184 1.902 50 50 FDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(S(=O)(=O)C(F)F)cc1 16667295 MMMGQLCIXSHCLD-FRKPEAEDSA-N 373.293 1.948 50 50 FDGA O=C(COc1ccc(Cl)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 839114 BKRPEEVWKNACDY-HNNXBMFYSA-N 362.769 1.706 50 50 FDGA COc1cc(OC)cc(C(=O)NNC(=O)COc2ccccc2OC)c1 986659 CHJOSAIDPXHIBD-UHFFFAOYSA-N 360.366 1.552 50 50 FDGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Cl)c(Cl)c1 5009677 ZOADMRKHABFCQA-MKMNVTDBSA-N 358.145 1.694 50 50 FDGA CCc1c(C)n(CC(=O)N/N=C/c2ccc(Cl)cc2)n2cnnc2c1=O 2942499 ALTXUFJIJBSANJ-UFWORHAWSA-N 372.816 1.566 50 50 FDGA O=C1CC(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)=NN1 102302387 CNQULOUBVLPTFB-UDWIEESQSA-N 350.378 1.982 50 50 FDGA CCC(C(=O)N/N=C/c1cccc(O)c1)C(=O)N/N=C/c1cccc(O)c1 43761293 OKFWZRGJWPUBTF-HGEIODPWSA-N 368.393 1.724 50 50 FDGA COC(=O)c1sccc1NC(=O)CN(C)NC(=O)c1cccs1 6638012 WVBZDHMMBUJOMP-UHFFFAOYSA-N 353.425 1.812 50 50 FDGA COc1ccc(C(=O)NN=c2oc3c(OC)cccc3cc2C(N)=O)cc1 252444371 MBRPCPOZOOYLAH-UHFFFAOYSA-N 367.361 1.795 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1OC 4229638 JMMZTRKCCGDLMA-SRZZPIQSSA-N 355.394 1.892 50 50 FDGA C[C@H](Cl)C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1875376457 XSALLWJJCKPGOQ-RYUDHWBXSA-N 358.866 1.795 50 50 FDGA C[C@@H](Cl)C(=O)N1C[C@@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 1875363924 DPKRHFLZITWOBC-DOMZBBRYSA-N 351.834 1.182 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 4293302 KLYYTJSCDLEKST-YBFXNURJSA-N 355.350 1.571 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2nc3ccccc3s2)CC1 2325885225 QAFXJSCRJVMGLV-UHFFFAOYSA-N 358.423 1.482 50 50 FDGA C/C(=N/NC(=O)C[S@](=O)Cn1cc(Cl)cn1)c1ccc(O)cc1O 6317012 KKNKQLJOARQKIQ-MWDOQUEYSA-N 370.818 1.194 50 50 FDGA O=C(N/N=C\c1ccccc1O)c1[nH]ncc1I 15636168 WGZQLXXMLWTHRF-ACAGNQJTSA-N 356.123 1.484 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(C)n2)cc1OC 2141423 YNYNTCAHODZLGF-KEBDBYFISA-N 371.397 1.679 50 50 FDGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1OC 2167603 DDVUIUNAPNRKIJ-CIAFOILYSA-N 355.394 1.974 50 50 FDGA COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccncc2)c1[N+](=O)[O-] 1214478 UEBGWWQLJQDPSX-GIJQJNRQSA-N 358.310 1.688 50 50 FDGA COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 2907495 MLVLGFSADFGEMO-PBSOMRJOSA-N 365.411 1.593 50 50 FDGA O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/C=C/c1ccccc1 4989576 RCIDZJKHOJUVIY-KGEJPPFVSA-N 365.389 1.758 50 50 FDGA O=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1COc2ccccc2O1 839116 BKRPEEVWKNACDY-OAHLLOKOSA-N 362.769 1.706 50 50 FDGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1OC 1444273 AVIXJDLTQHEYMK-AWEZNQCLSA-N 356.334 1.367 50 50 FDGA O=C(NNC(=O)c1ccn([C@H]2CC2(F)F)n1)c1cn2c(n1)CCCC2 2325774382 WFEOHWZSSOIYST-NSHDSACASA-N 350.329 1.071 50 50 FDGA CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccncc1 100699523 PEUMQBPPVOHRQO-HNNXBMFYSA-N 358.423 1.559 50 50 FDGA OC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816134 FDJMMLBQTOWILW-GOSISDBHSA-N 350.490 1.023 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2573262 NQFWBGJNVPWHBL-KEBDBYFISA-N 357.366 1.290 50 50 FDGA O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21 73354245 ZHBXLZQQVCDGPA-UHFFFAOYSA-N 358.283 1.141 50 50 FDGA in-vitro C[C@@H](Cc1ccccc1)NNC(=O)C(=O)NN[C@H](C)Cc1ccccc1 31283302 SCVRDZXGXDYFOR-IYBDPMFKSA-N 354.454 1.490 50 50 FDGA CCn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H](Br)[C@@H]1Br 216022012 BKZJXAPBDSHINK-RULNZFCNSA-N 365.025 1.024 50 50 FDGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@]12C(=O)Nc1ccccc12 718432 XRUKLGPALYIEHW-IBGZPJMESA-N 356.345 1.796 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1OC 4721559 NKEKFCLOIDMSSV-DVHVIWRQSA-N 367.405 1.684 50 50 FDGA COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 101278751 GNZDHDNRQAMKJZ-OAHLLOKOSA-N 353.378 1.570 50 50 FDGA Cc1ccc(OCC(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)cc1 101270932 FNGLBYOWFVCABK-QOFYIIDASA-N 358.394 1.434 50 50 FDGA O=C(O)COc1ccccc1/C=N\NC(=O)[C@H]1COc2ccccc2O1 12375302 UKQUXWNJFCQZSS-OSSOMXAKSA-N 356.334 1.440 50 50 FDGA CCN(CC)c1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)c(O)c1 100188156 JBHIQJDPIOIVTJ-SKCQWOFPSA-N 359.430 1.591 50 50 FDGA CC1(C)[C@@H](C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])CC[C@]1(C)C(=O)O 22204609 VCSXXCVSTYYVHF-PIGZYNQJSA-N 363.370 1.883 50 50 FDGA COc1ccc(CCNC(=O)c2ccc(Cl)c(B(O)O)c2)cc1OC 169744056 LEMUNSHKMAUVDD-UHFFFAOYSA-N 363.606 1.010 50 50 FDGA CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2)cc1 2571237 XJTQCJJNZUVHPG-UHFFFAOYSA-N 357.435 1.964 50 50 FDGA CC(=O)c1cccc(NC(=O)C(=O)NN(C)c2nc3ccccc3[nH]2)c1 5400867 VRSIPEGFGAFGPC-UHFFFAOYSA-N 351.366 1.872 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2)cc1 25758856 VKFZNLPNVAAADC-CIAFOILYSA-N 355.394 1.974 50 50 FDGA COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(OC)c1OC 1686382 VIFMYRYDXHXIFE-UHFFFAOYSA-N 366.395 1.336 50 50 FDGA Cc1ccc([C@]23C[C@@H]2CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C3)cc1 2325779201 ODYOXDJKGIISBQ-DENIHFKCSA-N 374.444 1.901 50 50 FDGA O=C(COCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F 252320595 CKKGKSWGDZJDQQ-UHFFFAOYSA-N 374.347 1.582 50 50 FDGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4335620 DDNVXZIFMNDGGG-RGVLZGJSSA-N 369.377 1.801 50 50 FDGA O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)[C@H]1Cc2ccccc2O1 789750689 CLJSYWNSFOYLLX-CRAIPNDOSA-N 352.390 1.963 50 50 FDGA O=C1CC[C@H](C(=O)NNC(=O)N2Cc3ccccc3-c3ccccc3C2)N1 858695307 FFKYVSGOAYQHIY-QGZVFWFLSA-N 364.405 1.689 50 50 FDGA Cc1ccc(/C(=N\CCCl)c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 102276832 CJJJCNIVIWPDGI-XDHOZWIPSA-N 359.817 1.345 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2ccccc2[nH]c1=O 4229210 AWTQVBFOXWMHBY-VXLYETTFSA-N 366.333 1.965 50 50 FDGA O=C(CCC(=O)N/N=C/c1ccc(O)cc1)N/N=C\c1ccc(O)cc1 32565742 AHDLADZFJAFOBI-UHWBUFEVSA-N 354.366 1.478 50 50 FDGA CCOc1ccc([C@H]2C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)cc1 1386750 RMFZSURRGKWMQQ-INIZCTEOSA-N 372.377 1.883 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229223 VQIGLIHKGZYLBC-RGVLZGJSSA-N 364.361 1.626 50 50 FDGA N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1nn(CCO)c(N)c1C#N 4482171 VBWVEUWEXZCCDU-XCVCLJGOSA-N 357.757 1.776 50 50 FDGA CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CBr 34617485 BLSNVTJXXUWHQT-UHFFFAOYSA-N 369.256 1.055 50 50 FDGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Br)o1 5494667 JPJIIYUDJYADIN-AWNIVKPZSA-N 357.124 1.348 50 50 FDGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1O 2902133 BYWZVMZXQLYXFV-YBFXNURJSA-N 357.366 1.888 50 50 FDGA COc1cc(/C=N/NC(=O)c2cnccn2)cc(Br)c1O 1296094 NXWBBRUXQXKEAH-UBKPWBPPSA-N 351.160 1.717 50 50 FDGA COc1cccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)c1 4347470 UVMSMQKUCXMQFI-KEBDBYFISA-N 365.345 1.890 50 50 FDGA Cn1ccc(NNC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 225700780 RCHVZYFEMVTLBN-UHFFFAOYSA-N 355.445 1.023 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2O)cc1OC 1923428 UPBGVCNGLDXNLT-KEBDBYFISA-N 357.366 1.290 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1OC 4721561 NKEKFCLOIDMSSV-FNJSCOMMSA-N 367.405 1.684 50 50 FDGA COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2779479 XFJGQHKWCLWPOI-UHFFFAOYSA-N 360.282 1.586 50 50 FDGA Cc1cc(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)ccc1[N+](=O)[O-] 25760756 STMYEUYWBZKRPE-UHFFFAOYSA-N 369.293 1.898 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2532845 SJZKLXVDGYDZRV-VXLYETTFSA-N 356.338 1.484 50 50 FDGA Cc1cc2c(c(=O)o1)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 4954645 OIEZQPIPZAFWNY-CQSZACIVSA-N 369.289 1.803 50 50 FDGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)[C@H]2CCCS2)CC1=O 2325754371 AOXLZDOXFSPTBA-VHDGCEQUSA-N 361.467 1.639 50 50 FDGA COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NN)cc(OC)c1OC 1497232 ONMBBXIZOMXBRU-AWEZNQCLSA-N 373.409 1.043 50 50 FDGA COc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 1880819 UABBKKKDPABBJY-CIAFOILYSA-N 354.410 1.641 50 50 FDGA Cc1nc(C)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)s1 2896136 BNKQGJWOXHTIOD-UHFFFAOYSA-N 364.339 1.441 50 50 FDGA O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccc(Br)o1 135936712 DEVBDPVDCFRFSB-JRPBRRGXSA-N 371.187 1.550 50 50 FDGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCS2)CC1=O 2325754370 AOXLZDOXFSPTBA-SNPRPXQTSA-N 361.467 1.639 50 50 FDGA C[C@@H](Cl)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1875376477 YDLZFMQXBBPMLU-KGYLQXTDSA-N 356.854 1.867 50 50 FDGA Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 4189147 PYRDYPKIPJBLGV-QGZVFWFLSA-N 366.289 1.181 50 50 FDGA Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 4189151 PYRDYPKIPJBLGV-KRWDZBQOSA-N 366.289 1.181 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C(\C)c2ccc(N)cc2)cc1OC 12343126 WLEYZFQRCRASEH-WSDLNYQXSA-N 370.409 1.556 50 50 FDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccccc1Br 100151673 OQXUQKHQIWJSAP-AXLKIAQESA-N 351.204 1.801 50 50 FDGA O=C(NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O 5048804 HSORMARYCBRVML-UHFFFAOYSA-N 371.758 1.577 50 50 FDGA COc1ccc(NC(=S)NNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 8666492 IYGAFNCDLOTHIO-UHFFFAOYSA-N 364.387 1.126 50 50 FDGA COCCN(C)NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 288377521 ILOZVIGTDLUNMS-UHFFFAOYSA-N 362.451 1.884 50 50 FDGA CO[Si](OC)(O[Si](OC)(OC)c1ccccc1)c1ccccc1 196947883 KCCVBXQGWAXUSD-UHFFFAOYSA-N 350.519 1.281 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1 2543979 PGMWWWKNXOWUHO-KEBDBYFISA-N 357.366 1.290 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2552975 OIZYIOWSHSPJBW-UFFVCSGVSA-N 369.377 1.694 50 50 FDGA CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(F)cc1 2958125 CKRUIQVRWJWHCE-VCHYOVAHSA-N 365.386 1.448 50 50 FDGA CCOC(=O)c1ccc(NC(=S)NNC(=O)Cc2cccn2C)cc1 1121759 DJRXNADJBMUYRG-UHFFFAOYSA-N 360.439 1.762 50 50 FDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2)C1 13320760 MEEJCBUBNMJNMF-VGSSETLESA-N 357.863 1.852 50 50 FDGA C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 4989976 QBPVUDUXWYBIJG-FYJGNVAPSA-N 353.378 1.728 50 50 FDGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(C#N)cc2)C(C#N)=C(N)O1 1387150 AVEKSCTWMCLAFV-HNNXBMFYSA-N 353.334 1.356 50 50 FDGA COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)ccc1OC(C)=O 5383337 SBSHBWMSQAWTKX-VXLYETTFSA-N 367.365 1.516 50 50 FDGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1ccccn1 6825608 FTAAMYFUCYDNGB-UHFFFAOYSA-N 350.425 1.870 50 50 FDGA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)NCc1ccco1 2856140 MMFGGNLOQKLQJH-JTQLQIEISA-N 363.395 1.471 50 50 FDGA C[C@@H](Cl)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1875364453 MXDCXQBJOOBKKQ-LLVKDONJSA-N 358.847 1.002 50 50 FDGA COc1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 817935 YEEACEQTGPVUKW-MRXNPFEDSA-N 358.350 1.061 50 50 FDGA NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 1193922 BHOWBJIDJZCVFE-KEBDBYFISA-N 357.435 1.934 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2oc3ccccc3c2C)CC1 2325889371 MVRVDVUKDVCMMU-UHFFFAOYSA-N 355.394 1.927 50 50 FDGA Cc1ccc(NC(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)nc1 2166122 YFUXOTHVGPWIIF-DNTJNYDQSA-N 355.354 1.391 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 18173267 BANGOAYNWQPKEP-SILNSSARSA-N 352.350 1.125 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(F)cc2)c2ccccc21 5564619 XULBMFPDMYHSBH-HEHNFIMWSA-N 369.352 1.870 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)NCc2ccccc2)cc1OC 2141449 UVUSUVVIRMSFHN-WSDLNYQXSA-N 370.409 1.653 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 5564630 HMZPNZHYPLPXLC-SILNSSARSA-N 352.350 1.125 50 50 FDGA Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccnc2-n2ccnc2)c1 170595062 LLQVTLRAPXQKOZ-UHFFFAOYSA-N 365.393 1.724 50 50 FDGA COC(=O)C1=C(O)c2cc(OC)c(OC)cc2CCC2=C1C(=O)OC2=O 100696072 NZZCZDYEZMXSTN-UHFFFAOYSA-N 360.318 1.472 50 50 FDGA Cc1ccc(CSCC(=O)NNC(=S)NC[C@@H]2CCCO2)cc1 6788254 JUQFPWUBRGWMFD-AWEZNQCLSA-N 353.513 1.903 50 50 FDGA CCCN(CCC)S(=O)(=O)c1cc(B(O)O)cc(C(F)(F)F)c1 170002415 SYYCMTRNWRHSBU-UHFFFAOYSA-N 353.171 1.196 50 50 FDGA COC(=O)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 6228890 MWXXTLAQDSWNGF-UHFFFAOYSA-N 353.334 1.325 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1 1875371461 BLFNEOJSZLHNHL-CQSZACIVSA-N 367.409 1.058 50 50 FDGA C[C@@H](Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 1875363623 OCIAXWBFCXDMET-SECBINFHSA-N 352.865 1.013 50 50 FDGA O=C(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)NCCc1ccccc1 2910227 QZZSTTVPXNZTEB-FYJGNVAPSA-N 353.378 1.584 50 50 FDGA O=C(Nc1ccc(Br)cc1F)c1cccc(B(O)O)c1F 169744672 MNORPEWBKBYDST-UHFFFAOYSA-N 355.931 1.659 50 50 FDGA CC(F)(F)[C@H](CNC(=O)c1ccc(B(O)O)c(C=O)c1)c1ccccc1 2325873530 KQZWVKNHTJZNHO-OAHLLOKOSA-N 361.153 1.348 50 50 FDGA O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1 2374059 BYEITSULIJSSOO-UZYVYHOESA-N 364.405 1.457 50 50 FDGA NNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 5073740 SRJBNSVDWWGWTM-FVTZREDMSA-N 372.425 1.900 50 50 FDGA O=C(NN=c1ccc2nncn2[nH]1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F 2325750504 JNAGBRFEZBDOCC-JQWIXIFHSA-N 360.780 1.976 50 50 FDGA O=C(NNC(=O)[C@@H]1CCCc2c(O)cccc21)[C@@H]1Cc2ccccc2O1 789750693 CLJSYWNSFOYLLX-QAPCUYQASA-N 352.390 1.963 50 50 FDGA O=C(NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O)c1ccccc1 1079349 BDRNQFGOYQDAOI-CQSZACIVSA-N 367.361 1.024 50 50 FDGA NC(=O)c1ccc(C(=O)NNC(=S)NCc2ccc(Cl)cc2)cc1 1117479 PBEKTTXPWDYKRY-UHFFFAOYSA-N 362.842 1.748 50 50 FDGA CC(=O)NNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)OC(C)(C)C)CC1 888096569 AQWPCCUBILFCPY-HNNXBMFYSA-N 368.478 1.265 50 50 FDGA CC(C)(C)OC(=O)N1CCN(Cc2ccc(B(O)O)cc2Cl)CC1 230547131 FHVLNNKYODGSQD-UHFFFAOYSA-N 354.643 1.073 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 30791539 PNVSTRHMYMCWLJ-QINWUOBPSA-N 353.378 1.381 50 50 FDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(Cl)s2)C1 13320777 VZTIMBPKXAGZTC-XBLUXWHVSA-N 363.892 1.913 50 50 FDGA Cc1ccc(N/N=C(\C(=O)NN)S(=O)(=O)c2ccc(Cl)cc2)cc1 3123886 JYFQIEBTXJGRBQ-HMMYKYKNSA-N 366.830 1.838 50 50 FDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c(OC)c1OC 18284410 AVKHANSVJNOFPG-CQSZACIVSA-N 369.377 1.927 50 50 FDGA COc1ccccc1CNC(=O)c1cc(Br)cc(B(O)O)c1 169744773 XFHXNNVWVCUYQT-UHFFFAOYSA-N 364.004 1.068 50 50 FDGA COCCOCCOCCOCCOCCOCCBr 83253961 GFRLIPYEIIWDJX-UHFFFAOYSA-N 359.257 1.111 50 50 FDGA in-vitro O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-] 35337438 SYSWOWJNJHQMQK-ICZWTFDHSA-N 368.349 1.280 50 50 FDGA Cc1c(Br)c(C(=O)NNC(=S)NC2CCCC2)nn1C 17074188 ISFWXQXTYUBDJI-UHFFFAOYSA-N 360.281 1.543 50 50 FDGA COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc2c1OCO2 4481089 VLTPRRXZDGTBHM-NYYWCZLTSA-N 353.338 1.131 50 50 FDGA COc1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)c(OC)c1OC 100301394 KPEMCKUDZTUKRR-BEAUZRKQSA-N 362.386 1.065 50 50 FDGA COc1ccc(C=NOCC(=O)NN=C2C(=O)Nc3ccccc32)cc1 252680276 YIVLGSJJGSAMOJ-UHFFFAOYSA-N 352.350 1.518 50 50 FDGA C[C@H](Cc1ccccc1)NNC(=O)C(=O)NN[C@H](C)Cc1ccccc1 2021031 SCVRDZXGXDYFOR-HZPDHXFCSA-N 354.454 1.490 50 50 FDGA O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1C(F)(F)F 2914352 OJZLTFSXBFWXHC-LSFURLLWSA-N 350.300 1.867 50 50 FDGA CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(N)=O 854025 UARTUFJZNRVFHH-RIYZIHGNSA-N 369.377 1.766 50 50 FDGA CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)NN)cc23)CO1 12402471 AGAXZPZTUQKNRL-UHFFFAOYSA-N 362.455 1.588 50 50 FDGA Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 239438987 ZGVGHJUYTKSFHT-UAHISNFZSA-N 374.437 1.965 50 50 FDGA C[C@](Br)(CBr)C(=O)N[C@@H](O)C(Cl)Cl 101361198 SUNXSRHYNPBJGX-NJGYIYPDSA-N 357.857 1.773 50 50 FDGA O=C(NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O)c1ccccc1 100117095 BDRNQFGOYQDAOI-AWEZNQCLSA-N 367.361 1.024 50 50 FDGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4283195 CENQSDSSKWHJLR-SRZZPIQSSA-N 371.393 1.767 50 50 FDGA COC(=O)N/N=C(\c1ccc(O)cc1)[C@@H](C)[C@@]1(O)C(=O)Nc2ccccc21 5673987 HJXZINHUQWMPQB-NXAMEOSSSA-N 369.377 1.928 50 50 FDGA COCCCNC(=S)NNC(=O)c1cc(Cl)c(O)c(Cl)c1 13545171 XGUABFXLQMRJST-UHFFFAOYSA-N 352.243 1.844 50 50 FDGA C/C(=N/NC(=O)C[S@@](=O)Cn1cc(Cl)cn1)c1ccc(O)cc1O 6317009 KKNKQLJOARQKIQ-PFFVACAYSA-N 370.818 1.194 50 50 FDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 2530436 VZEKUZVPYTXOMH-VXLYETTFSA-N 355.350 1.547 50 50 FDGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 2115294 SLFTZGYYZGARBA-KCJUWKMLSA-N 370.667 1.607 50 50 FDGA O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCC[C@]12CCCO2 1313206041 GFUAMSXXKSGXCN-ACJLOTCBSA-N 371.397 1.381 50 50 FDGA O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(Br)cc1 13281343 GMYLUQLJXQOCMF-DJKKODMXSA-N 361.199 1.611 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2553481 LCXNUQQLZONBFL-SRZZPIQSSA-N 371.393 1.680 50 50 FDGA NNC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 3123172 HIVNXCAQDBPZHH-XMHGGMMESA-N 352.803 1.529 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC1CCCCC1 2549896 KRZPJYLLVIDKOL-UHFFFAOYSA-N 352.416 1.802 50 50 FDGA CC(C)(C)OOC(=O)[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 254592947 LAYBNBYOXYTONB-XFYZHGIRSA-N 371.227 1.888 50 50 FDGA C[C@@H](Cl)C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1875376458 XSALLWJJCKPGOQ-VXGBXAGGSA-N 358.866 1.795 50 50 FDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cc(Br)ccc1F 4622177 OKAOBZBGTBACND-SNVBAGLBSA-N 363.146 1.890 50 50 FDGA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(B(O)O)c(Cl)c1 169744178 FVOIFQDFGFAXNU-UHFFFAOYSA-N 354.942 1.834 50 50 FDGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=S)NC[C@H]1CCCO1 6763136 VLPYJSZVPHDDMH-GXFFZTMASA-N 368.415 1.036 50 50 FDGA COc1ccc(OC)c(/C=N/NC(=O)CCn2nnc3ccccc32)c1 1469425 DUQVWGSLTRCKKD-XDHOZWIPSA-N 353.382 1.989 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNc2cccc3c2OC(F)(F)O3)C1 1875302910 MTYQKBBKLRQTIL-SNVBAGLBSA-N 353.325 1.876 50 50 FDGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(Br)c1 5480123 NIFKOEZCLFFVGS-OVCLIPMQSA-N 367.163 1.755 50 50 FDGA CCOCCCNC(=O)/C(C#N)=C/c1cccc(S(=O)(=O)N(C)C)c1 1875380475 QCGALQXFCOJIDA-RVDMUPIBSA-N 365.455 1.387 50 50 FDGA COc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2753884 SWZRWSTXEQWEAX-UHFFFAOYSA-N 360.282 1.586 50 50 FDGA C[C@H](Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 1875363624 OCIAXWBFCXDMET-VIFPVBQESA-N 352.865 1.013 50 50 FDGA CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](N=C=S)C2)c2nonc12 2569329 YMXYIIXTKUQWPC-SECBINFHSA-N 353.429 1.155 50 50 FDGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 6145789 TYNHKYROPNCMAQ-UHFFFAOYSA-N 370.321 1.455 50 50 FDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(Br)cc1 102306482 OAIDLSJRFOINRQ-WIJRQFRKSA-N 351.204 1.801 50 50 FDGA CC[C@H]1NC(=O)NC(C(Br)Br)=C1C(=O)OC 4342666 ZKSPEUIEXZURGV-SCSAIBSYSA-N 356.014 1.621 50 50 FDGA Cn1cc([N+](=O)[O-])c(C(=O)NNC(=S)Nc2cccc(Cl)c2)n1 8306587 FRFRBDWYHHTLIO-UHFFFAOYSA-N 354.779 1.613 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 3061738 RDZMKTLFQVFCFQ-UDWIEESQSA-N 369.377 1.961 50 50 FDGA CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)Cl)c2nonc12 2556801 ZPBKQTOHYMFDLD-SECBINFHSA-N 358.807 1.207 50 50 FDGA in-vitro O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 7870546 WNNPKGYSZXKXLQ-DJKKODMXSA-N 359.313 1.378 50 50 FDGA Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Br 13497577 KAZVBPULPHTBMQ-UHFFFAOYSA-N 374.308 1.933 50 50 FDGA COc1cc([C@H]2[C@@]3(C#N)C(=C(C#N)C#N)NC(=N)[C@@]23C#N)cc(OC)c1OC 253471745 YNFJPQXKUNZAME-ZYSHUDEJSA-N 374.360 1.711 50 50 FDGA CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)Oc3nc(O)[nH]c(=O)c32)c1 1103331 GWXOVXCLVTVJQT-CYBMUJFWSA-N 370.365 1.491 50 50 FDGA CCOc1ccc(C(=O)NNC(=O)CCCCC(=O)NC)cc1OC 170601856 NZCYCBWOKSOZEQ-UHFFFAOYSA-N 351.403 1.161 50 50 FDGA COc1cc(OC)c(OC)cc1/C=N\NC(=O)Cn1nnc2ccccc21 13633146 QRXNLRCRHQRXKE-GRSHGNNSSA-N 369.381 1.607 50 50 FDGA COC(=O)[C@@H]1C[C@H](Cl)CN1S(=O)(=O)c1ccc(OC)c(OC)c1 12336276 SQYNEMOHBZLHQW-ONGXEEELSA-N 363.819 1.247 50 50 FDGA Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCNC2=O)c(C)n1C[C@@H]1CCCO1 222176529 YHNDWWZXMKWXHS-FFXSKGONSA-N 370.453 1.586 50 50 FDGA O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 1204189 LCNKKXUEKNXYEI-REZTVBANSA-N 374.744 1.849 50 50 FDGA Cc1cc(Cl)ccc1OCC(=O)NN=c1c(=O)c2ccccc2c1=O 2582181 JOBXIXADJUJAGO-UHFFFAOYSA-N 356.765 1.409 50 50 FDGA Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2 253417761 HPKSRUBOFXZDDU-UHFFFAOYSA-N 368.484 1.682 50 50 FDGA COc1c(I)cc(Br)cc1C(=O)NN 43827876 DEGQTRRPXLWDNP-UHFFFAOYSA-N 370.972 1.666 50 50 FDGA COc1cc(/C=N/NC(=O)CC2(O)CCCCC2)cc([N+](=O)[O-])c1O 35396493 GDWNWTLLGUUPJC-LICLKQGHSA-N 351.359 1.844 50 50 FDGA CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(COC)c32)c2ccccc21 5130275 FJRMTJLFHXLZPP-SFHVURJKSA-N 351.366 1.295 50 50 FDGA CC(=O)NNC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 5495359 DBSGAIPHRLZXTJ-JXMROGBWSA-N 355.466 1.507 50 50 FDGA Cc1ccc(S(=O)(=O)CC(=O)NNC(=S)NC2CCCCC2)cc1 2543469 JMWKKNOBFAFETQ-UHFFFAOYSA-N 369.512 1.597 50 50 FDGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(F)cc1F)C(F)(F)F 2769526 PDZAGCMOBFAKJG-KWQFWETISA-N 361.650 1.977 50 50 FDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 754554 LBQRDZHZLQWXOJ-OAHLLOKOSA-N 373.321 1.968 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/C(Cl)=C(\Cl)C(=O)O)cc1 2154790 QFDZZSKHAYVCKG-HZBDSDIDSA-N 374.180 1.900 50 50 FDGA COc1c(O)cc(/C=N/NC(=O)c2ccnn2C)cc1Br 5756557 YQIXSSNDWFRQME-VIZOYTHASA-N 353.176 1.661 50 50 FDGA CC(C)(C)OC(=O)N1CCC(Oc2cc(F)c(B(O)O)c(F)c2)CC1 675050444 JIHVWADRPQEXPK-UHFFFAOYSA-N 357.162 1.423 50 50 FDGA C[C@H](Oc1ccc(F)cc1F)C(=O)NNC(=S)NC[C@H]1CCCO1 2851037 WJKOSFMUFKSVNQ-GXSJLCMTSA-N 359.398 1.406 50 50 FDGA Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)ccc1[N+](=O)[O-] 138288918 HNNQWSUPOFJWKX-DUBDDPSESA-N 361.354 1.411 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNc2cccc3c2OC(F)(F)O3)C1 1875302909 MTYQKBBKLRQTIL-JTQLQIEISA-N 353.325 1.876 50 50 FDGA N#CC1(C#N)C[C@@]2(O)NC(=O)[C@@]1(C#N)[C@@H](c1ccccc1)[C@@H]2Br 217450276 PHHURESSVHMUKY-RKLWJJNISA-N 371.194 1.299 50 50 FDGA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NN)CC1 52508009 MDKRYIYFFOVADO-UHFFFAOYSA-N 365.390 1.255 50 50 FDGA C/C(=N\NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 4989879 PFOVCOGXVCBCOG-VYVDHXHBSA-N 353.378 1.483 50 50 FDGA CN(C)N(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 840464043 UGMLVCDXIDNJHM-UKRRQHHQSA-N 366.483 1.824 50 50 FDGA O=C(O)COc1ccccc1/C=N\NC(=O)[C@@H]1COc2ccccc2O1 12375301 UKQUXWNJFCQZSS-SCPBCGJWSA-N 356.334 1.440 50 50 FDGA Cc1ccc(NC(=O)c2ccc(F)c(B(O)O)c2)c(Br)c1 169744066 XBZVUUHBCXIJTR-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)c1 2566507 RVFLAOUNSHSCDT-YBFXNURJSA-N 357.366 1.801 50 50 FDGA Cc1ccc([C@@]23C[C@H]2CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C3)cc1 2325779203 ODYOXDJKGIISBQ-UGKGYDQZSA-N 374.444 1.901 50 50 FDGA COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(OC)c1OC 4181287 IDYIGKMKNGTANZ-WUXMJOGZSA-N 369.381 1.419 50 50 FDGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(F)cc1F)C(F)(F)F 2769525 PDZAGCMOBFAKJG-LDYMZIIASA-N 361.650 1.977 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 2902805 WYGLTFMJNBFOHT-YBFXNURJSA-N 357.366 1.801 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1 2552576 OPIRHLGLGUFXOF-SRZZPIQSSA-N 371.393 1.680 50 50 FDGA CN(C)N(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 840464036 UGMLVCDXIDNJHM-DZGCQCFKSA-N 366.483 1.824 50 50 FDGA C[C@H](Cl)C(=O)NNC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 2755513 OACKIRQXKOHCRN-VIFPVBQESA-N 351.750 1.228 50 50 FDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189101 FEVSUXCRNLZGNV-QGZVFWFLSA-N 352.306 1.516 50 50 FDGA CC(C)CCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 678508 AKZATDOAHHMODN-SECBINFHSA-N 360.867 1.161 50 50 FDGA O=Cc1cc(C(=O)NCc2ccc(OC3CCCC3)cc2)ccc1B(O)O 2325866920 DYVREYGKNIKSJM-UHFFFAOYSA-N 367.210 1.430 50 50 FDGA CC(C)(C)OC(=O)N1CCN(c2cc(B(O)O)cc(C(F)(F)F)c2)CC1 230542227 KJSVVMOFXYLTGA-UHFFFAOYSA-N 374.168 1.442 50 50 FDGA Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 199305632 IJWIJLIIOKZJMS-JHJVBQTASA-N 356.495 1.515 50 50 FDGA O=C(Nc1ccc(O)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239248113 YBVXLYDEKJABPR-PTEOKISQSA-N 352.184 1.902 50 50 FDGA O=C(Nc1ccc2c(c1)C(=O)N([C@@H]1CCCNC1=O)C2=O)[C@@H](F)Cl 2325901602 MVWPLYQGQIBLCQ-GHMZBOCLSA-N 353.737 1.034 50 50 FDGA COc1ccccc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 2861273 SIEWVSCVJXBBOR-UHFFFAOYSA-N 355.394 1.553 50 50 FDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1O 1923873 WCRKLVPHFQMDBJ-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 1877318 ISJXOZSPGKAMMF-WSDLNYQXSA-N 368.437 1.706 50 50 FDGA Cc1cn([C@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 169745279 IJWIJLIIOKZJMS-YNEHKIRRSA-N 356.495 1.515 50 50 FDGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2cccnc2)CC1=O 2325709754 HJRNSAKZULWUDI-CZUORRHYSA-N 352.394 1.452 50 50 FDGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1=O 2325755587 QFVHPBUSDIWDBU-LMHBHQSJSA-N 371.437 1.311 50 50 FDGA O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCC[C@H]2OCC[C@H]12 761788788 DVIYEYSRHYYVSY-MGPQQGTHSA-N 371.397 1.237 50 50 FDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cc(Br)ccc1O 100151485 LRLPUSHNAXUNGK-JFEKIERCSA-N 353.176 1.117 50 50 FDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 2530129 UQMSZRFTKZQEFS-RGVLZGJSSA-N 364.361 1.626 50 50 FDGA COCCNC(=S)NNC(=O)COc1cccc(C(F)(F)F)c1 2853805 BQKLJIKBIXMRJN-UHFFFAOYSA-N 351.350 1.226 50 50 FDGA COc1ccc2c(CC(=O)NCCSS(C)(=O)=O)cc(=O)oc2c1 71769634 BOKNGTDPEVTTTD-UHFFFAOYSA-N 371.436 1.153 50 50 FDGA Cn1c(NNC(=O)c2ccc(NC(N)=O)cc2)nc2ccccc2c1=O 733260883 CSNFQWNAMUKXJV-UHFFFAOYSA-N 352.354 1.181 50 50 FDGA O=C(CNC(=O)C1CCCCC1)NNC(=S)NC(=O)c1cccs1 3017458 QSLDSKRYWVMFAR-UHFFFAOYSA-N 368.484 1.080 50 50 FDGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc(OC)c1OC(C)=O 4527500 AZCBIVRBBVJLGU-DJKKODMXSA-N 372.381 1.605 50 50 FDGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccncc2)C(C#N)=C(N)O1 850009 KDXGUUHUWIIUKT-HNNXBMFYSA-N 357.366 1.660 50 50 FDGA NNC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1 20247109 ZDQDJHRVHLTWOB-UHFFFAOYSA-N 354.454 1.487 50 50 FDGA C[C@@H](Oc1ccc(F)cc1F)C(=O)NNC(=S)NC[C@@H]1CCCO1 2851040 WJKOSFMUFKSVNQ-KOLCDFICSA-N 359.398 1.406 50 50 FDGA Cc1nn(C)c(C(=O)NNC(=S)NCc2ccco2)c1Br 13519756 DTGQBAQCPOUVKP-UHFFFAOYSA-N 372.248 1.393 50 50 FDGA CC1(C)OB(c2cccc(S(=O)(=O)NCCCCl)c2)OC1(C)C 170006226 FKUWFVJVOVCYLG-UHFFFAOYSA-N 359.684 1.893 50 50 FDGA Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 2865075 BGLGUJXKMFXDBX-UHFFFAOYSA-N 361.785 1.813 50 50 FDGA COc1cc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)ccc1O 1080083 VKVWJRGMMLMWPA-KRWDZBQOSA-N 354.410 1.978 50 50 FDGA COc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)cc1 15018504 RXDXZCNKRYAKAZ-UHFFFAOYSA-N 354.322 1.998 50 50 FDGA CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)/C(C#N)=C(/C)N)(C3)C2 111136454 HUUGKGFSGVLLOJ-VGMPGYIESA-N 359.426 1.330 50 50 FDGA Cc1ccccc1C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 939547 XTNHUJKSHXOVRN-GFCCVEGCSA-N 351.362 1.441 50 50 FDGA Cc1cc(Br)ccc1NC(=O)c1cccc(B(O)O)c1F 169744656 CBKKVWRKJYREPT-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/C=C/c1ccccc1 4989575 RCIDZJKHOJUVIY-DCBCSSNNSA-N 365.389 1.758 50 50 FDGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259894 ROZVAGPDRUTRFP-VXLYETTFSA-N 358.350 1.688 50 50 FDGA COC(=O)N/N=C(\c1ccc(O)cc1)[C@H](C)[C@@]1(O)C(=O)Nc2ccccc21 5671370 HJXZINHUQWMPQB-GIEJMLJWSA-N 369.377 1.928 50 50 FDGA CCCc1n[nH]c2c1[C@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2 4978985 UHYRZLFHNVBUKG-OAHLLOKOSA-N 353.382 1.444 50 50 FDGA CC(C)(C)OC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC(C)(C)C 32194406 KVVSTQBOEJNEKY-UWVGGRQHSA-N 352.522 1.706 50 50 FDGA in-vitro C[C@@]1(C(=O)NNC(=O)[C@@]2(C)C[C@@H]2Br)C[C@H]1Br 2893109 CDNSNKYVQJZYJO-YUMGAWCOSA-N 354.042 1.481 50 50 FDGA CN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21 4728124 FOFMLEVAPNKAKV-FQEVSTJZSA-N 363.421 1.394 50 50 FDGA COc1cccc(O[C@@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c1 17073196 AKWRKOQPHAHTNS-SMDDNHRTSA-N 353.444 1.137 50 50 FDGA O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=S)Nc1ccc(Cl)cc1 653152 BGVBXKTURHULCU-UHFFFAOYSA-N 368.806 1.853 50 50 FDGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)[C@@H]3CCCS3)ccc21 2325889325 KGDGITAFUDDUFZ-HNNXBMFYSA-N 359.451 1.808 50 50 FDGA Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 239438984 ZGVGHJUYTKSFHT-HZRXROBNSA-N 374.437 1.965 50 50 FDGA O=C(NNC(=O)c1ccn([C@@H]2CC2(F)F)n1)c1cn2c(n1)CCCC2 2325774381 WFEOHWZSSOIYST-LLVKDONJSA-N 350.329 1.071 50 50 FDGA COc1cc(/C=N/NC(=O)C[S@](=O)Cn2cc(Cl)cn2)ccc1O 6490554 IPHDDTLESHQYQA-OROCZKKBSA-N 370.818 1.107 50 50 FDGA O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@H]1CCCc2c(O)cccc21 789750691 CLJSYWNSFOYLLX-MAUKXSAKSA-N 352.390 1.963 50 50 FDGA CC(=O)C1=C(C)NC(=O)[C@]12C(C#N)=C(N)Oc1ccc(Br)cc12 3105313 ROFYPKGTYABNBN-MRXNPFEDSA-N 374.194 1.766 50 50 FDGA Cc1cc(C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)n[nH]1 9234927 CDYJYCAMUMWDDO-PDGQHHTCSA-N 362.187 1.591 50 50 FDGA COC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 252679411 LYWYECUUSNPXEL-UHFFFAOYSA-N 357.322 1.911 50 50 FDGA N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@]12C(=O)Nc1ccccc12 711579 SWTODQDSBCYBRW-LJQANCHMSA-N 356.345 1.796 50 50 FDGA Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)NN 66324329 TYJHKYORIDJTFH-UHFFFAOYSA-N 371.264 1.272 50 50 FDGA CCOc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1O 30791535 XWAJJDDSZSEJQC-RNZWIAKZSA-N 367.405 1.771 50 50 FDGA O=C(NCc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5042305 FOXGTJYTUIHPGW-UHFFFAOYSA-N 355.438 1.667 50 50 FDGA CC(C)(C)OC(=O)CN1CC2(CCN(C(=O)[C@@H](F)Cl)CC2)OC1=O 2325898196 WPOHMMTZSUMRIQ-LLVKDONJSA-N 364.801 1.676 50 50 FDGA COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(N)=O 854023 CTCATEIITDFLGA-NTUHNPAUSA-N 355.350 1.376 50 50 FDGA O=C(O)COc1ccccc1/C=N\NC(=O)Cn1cnc2ccccc21 31841316 SYYXAWRBGGVRCB-UKWGHVSLSA-N 352.350 1.650 50 50 FDGA COC(=O)[C@H]1C[C@H](Cl)CN1S(=O)(=O)c1ccc(OC)c(OC)c1 1393253 SQYNEMOHBZLHQW-GXSJLCMTSA-N 363.819 1.247 50 50 FDGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccncc2)sc2c1CCCC2 4209886 NCDHUGPHOALSOD-KEBDBYFISA-N 353.407 1.982 50 50 FDGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccnc1 19371311 ZZDVTHPPLJMVKU-OQKWZONESA-N 351.454 1.740 50 50 FDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C(\C)c1ccc(Br)cc1 100064616 VQTYVBHXKUSRCG-GGNJANJASA-N 351.204 1.801 50 50 FDGA CCOC(=O)c1cc(C(=O)OCC)c(NNC(=O)c2ccncc2)nc1N 20388988 IMABBMGVNQFAMF-UHFFFAOYSA-N 373.369 1.169 50 50 FDGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC(CC(=O)OC)=C1C(=O)OC 4721359 IYPDHMPGTCGVMM-MRXNPFEDSA-N 372.377 1.883 50 50 FDGA O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 2892253 ABOSVFCBRNEBQM-KEBDBYFISA-N 359.769 1.805 50 50 FDGA O=[P@@](O)(CC[Si]12OCCN(CCO1)CCO2)CN1CCCCC1 195779957 PZKPZMMQSCBMTB-UHFFFAOYSA-N 364.455 1.018 50 50 FDGA CNc1ccccc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2166303 LGRIDXJQUNDFHM-UHFFFAOYSA-N 359.382 1.829 50 50 FDGA C[C@](Br)(CBr)C(=O)N[C@H](O)C(Cl)Cl 101361189 SUNXSRHYNPBJGX-XINAWCOVSA-N 357.857 1.773 50 50 FDGA CCOc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1OC 4491560 HAAYDEZBBHNLPL-MDWZMJQESA-N 353.382 1.801 50 50 FDGA Cc1cccc(C(C)C)c1NC(=O)COc1cccc(B(O)O)c1C=O 2325826606 GTGKBGLXBMHVSF-UHFFFAOYSA-N 355.199 1.628 50 50 FDGA C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325754958 ODFHRBFYDVCZSK-VRKREXBASA-N 359.426 1.169 50 50 FDGA CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)Oc3nc(O)[nH]c(=O)c32)c1 1103332 GWXOVXCLVTVJQT-ZDUSSCGKSA-N 370.365 1.491 50 50 FDGA CSc1ncc(Br)c(C(=O)NNC(=O)c2ccc[nH]2)n1 253419319 MANUDPQOUQNHHL-UHFFFAOYSA-N 356.205 1.364 50 50 FDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc([N+](=O)[O-])c1 11613900 AHWFHAJMTMNEDW-UHFFFAOYSA-N 355.266 1.589 50 50 FDGA O=C1CC[C@@H](C(=O)NNC(=O)N2Cc3ccccc3-c3ccccc3C2)N1 858695305 FFKYVSGOAYQHIY-KRWDZBQOSA-N 364.405 1.689 50 50 FDGA CC(=O)C1=C(C)NC(=O)[C@@]12C(C#N)=C(N)Oc1ccc(Br)cc12 3105314 ROFYPKGTYABNBN-INIZCTEOSA-N 374.194 1.766 50 50 FDGA Fc1cc(F)c(F)c(OC[Si]23OCCN(CCO2)CCO3)c1F 195813605 UEHCFUWWICBNJQ-UHFFFAOYSA-N 353.344 1.479 50 50 FDGA O=C(NNC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 71770173 PJMITQQFARZGNQ-UHFFFAOYSA-N 374.356 1.862 50 50 FDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1O 2565298 VXJAMIMHBOWHBC-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA COc1cc(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)ccc1O 25760093 ISQGGRPEHSWBLF-UHFFFAOYSA-N 356.294 1.395 50 50 FDGA O=C(CCl)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1336910684 YBEPOALJIFIJMO-UHFFFAOYSA-N 367.805 1.538 50 50 FDGA Cc1nn(C)c(NNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1C#N 1875349545 BEZRYCXARHQOFO-WMLDXEAASA-N 366.425 1.653 50 50 FDGA CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(B(O)O)c(C=O)c1 2325873562 LJUXTXFCNZGMTC-QGZVFWFLSA-N 355.199 1.411 50 50 FDGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)OC(=O)[C@H]12 254870868 IQWDOEXTRZOIDG-ADDJPNFYSA-N 361.992 1.963 50 50 FDGA C[C@H](Cl)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1875363945 FJUXJCBIPDMXBR-QMMMGPOBSA-N 350.790 1.429 50 50 FDGA COc1nn([C@@H](C)C(=O)NNC(=S)NC2CCCCC2)cc1[N+](=O)[O-] 2856783 LNLUIWABZVTRBL-VIFPVBQESA-N 370.435 1.189 50 50 FDGA COC(=O)Cc1[nH]nc2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 803851 PUUMQLLNKXBHCD-INIZCTEOSA-N 361.361 1.892 50 50 FDGA COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccnc2)cc1OC 2911672 LKETUFTYXLHRQU-LPYMAVHISA-N 370.409 1.298 50 50 FDGA COc1ccc(OC)c(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1 5030022 OWMRVORSIMZQBS-HXWTURNYSA-N 367.405 1.684 50 50 FDGA CCc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)s1 13321157 BDMYVLRWSSPHMU-SEJMYLSOSA-N 357.501 1.822 50 50 FDGA COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 2961667 WPPZBWQFOLTUFO-WSDLNYQXSA-N 370.453 1.924 50 50 FDGA COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@@H](N)C(=O)N23)cc1 83436384 PBKFYMCZYNFVIA-SWLSCSKDSA-N 368.842 1.474 50 50 FDGA O=C(NNC(=O)C1CCCC1)c1nscc1I 827720793 MQDWFNFYWJAVRM-UHFFFAOYSA-N 365.196 1.699 50 50 FDGA CCOC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)CBr 4566288 XKJPELFPXTUTAE-PTNGSMBKSA-N 358.148 1.890 50 50 FDGA O=C(NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1[N+](=O)[O-] 100097020 LRTQTUZJKXMKBO-CYBMUJFWSA-N 372.312 1.300 50 50 FDGA CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cnccn2)cc1 2249069 LLFLWUGIKRXOPI-UHFFFAOYSA-N 359.411 1.215 50 50 FDGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1C 239310447 ILDDOMJAFVZHTL-NJNCZSALSA-N 372.421 1.741 50 50 FDGA COc1cc(/C=N\NC(=O)Cn2nnc3ccccc32)cc(OC)c1OC 32617932 MVYPWRQAXNXLAH-GRSHGNNSSA-N 369.381 1.607 50 50 FDGA O=C(CCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 1620056 IKQDBMRHCBEHHH-AYKLPDECSA-N 354.366 1.478 50 50 FDGA C[C@@H](Oc1ccc(F)cc1F)C(=O)NNC(=S)NC[C@H]1CCCO1 2851038 WJKOSFMUFKSVNQ-MWLCHTKSSA-N 359.398 1.406 50 50 FDGA CCOC(=O)[C@H](C(C)=O)[C@@H](c1ccccc1)[C@H](C#N)C(N)=C(C#N)C#N 257345173 KJAJSAQBIXWDHV-BBWFWOEESA-N 350.378 1.938 50 50 FDGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 3113452 ZVHPNUJOOSXAQI-DNTJNYDQSA-N 359.769 1.949 50 50 FDGA COc1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 2940949 YEEACEQTGPVUKW-INIZCTEOSA-N 358.350 1.061 50 50 FDGA CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 821127000 DMVCJUOVWMOTJT-UHFFFAOYSA-N 365.238 1.565 50 50 FDGA CC(F)(F)[C@@H](CNC(=O)c1ccc(B(O)O)c(C=O)c1)c1ccccc1 2325873529 KQZWVKNHTJZNHO-HNNXBMFYSA-N 361.153 1.348 50 50 FDGA Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 941171 HECBUOOXYFXDGF-QGZVFWFLSA-N 356.378 1.670 50 50 FDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2coc3ccccc3c2=O)cc1 43190690 ROVGYTNSQIXORF-LSHDLFTRSA-N 363.373 1.982 50 50 FDGA O=C(CCCCC(=O)NN=Cc1ccncc1)NN=Cc1ccncc1 16663600 ASOKQIZNAIYDDX-UHFFFAOYSA-N 352.398 1.637 50 50 FDGA Cn1ncc2cc(/C=N/NC(=O)c3ccc(Br)cn3)cnc21 1875317473 ZOSYTRQYHNWMPC-NGYBGAFCSA-N 359.187 1.890 50 50 FDGA N#C/C(=C/c1ccc(I)o1)C(=O)N1CCOCC1 15745669 QUUHJDDFJNKKQJ-CLFYSBASSA-N 358.135 1.650 50 50 FDGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)[C@@H]2CCCS2)CC1=O 2325754372 AOXLZDOXFSPTBA-YUELXQCFSA-N 361.467 1.639 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1 2325889396 NQILFAIAPHNWDZ-NSHDSACASA-N 358.423 1.482 50 50 FDGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3ncoc3C)ccc21 2325889718 MAYREGLJXIDVIW-UHFFFAOYSA-N 354.366 1.523 50 50 FDGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)c3cnsn3)ccc21 2325889783 UUQUNUOXKHZUGT-UHFFFAOYSA-N 357.395 1.078 50 50 FDGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2 4978984 UHYRZLFHNVBUKG-HNNXBMFYSA-N 353.382 1.444 50 50 FDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccccc2OC)C1 13320756 JGVGZNAFKSCTNA-SWEABUAFSA-N 353.444 1.207 50 50 FDGA COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1OC 1209580 QVLIZKNCTGDYJE-YBFXNURJSA-N 366.381 1.508 50 50 FDGA O=C(CCc1ccc(O)c(O)c1)NNC(=S)NCCc1ccccc1 8683737 SKHWVWBEWGJBGI-UHFFFAOYSA-N 359.451 1.768 50 50 FDGA CCOc1ccc(C(=O)NNC(=O)C2=C(C)OCCS2)cc1OC 241170999 KDKRTDRKCHLCMV-UHFFFAOYSA-N 352.412 1.850 50 50 FDGA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 252474355 BOKPIFOYLOPBTM-FTQWQZMBSA-N 358.438 1.873 50 50 FDGA N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCc1ccccn1 6644607 LLSXUHXJXSNPPY-LFYBBSHMSA-N 352.306 1.942 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)Nc2ccc(F)cc2)cc1O 2141323 QSXUKQOGSBKHEF-AWQFTUOYSA-N 360.345 1.812 50 50 FDGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccco2)cc1 3613196 QGNKCPKDZSWTBC-UHFFFAOYSA-N 374.422 1.823 50 50 FDGA COc1cc(C(=O)NNC(=O)CCN2CCCCC2)cc(OC)c1OC 4996493 QHMOYQDSYZBVNR-UHFFFAOYSA-N 365.430 1.349 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)/C=C/c2ccco2)cc1OC 2839998 SRSYTGMZMWCIQV-LVBIJHPESA-N 357.366 1.577 50 50 FDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)NCc2ccccc2)cc1 2141445 ZMARAIKHOHJYJK-LPYMAVHISA-N 353.426 1.702 50 50 FDGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1COc2ccccc2O1 1226653 OOTWSDPJIIYJCW-WMTRBBBDSA-N 371.305 1.614 50 50 FDGA COc1cc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc(OC)c1OC 3050558 DCBBKHMFTXLJGX-SRZZPIQSSA-N 371.393 1.593 50 50 FDGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=S)NC1CCCC1 1120092 XORYJQJEQKFEAY-JTQLQIEISA-N 352.416 1.800 50 50 FDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(C)cc21 5602564 UGJKUYUKRITADZ-UZYVYHOESA-N 353.378 1.879 50 50 FDGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1=O 2325755588 QFVHPBUSDIWDBU-LMLQULGWSA-N 371.437 1.311 50 50 FDGA CC(C)[C@H](Br)C(=O)NNC(=O)[C@@]1(C)C[C@H]1Br 239306086 GJWQREDBFAOCSH-FWWHASMVSA-N 356.058 1.727 50 50 FDGA CO[C@@H](C)CS(=O)(=O)NNC(=O)c1ccc(COc2ccccc2)o1 170617726 DYBWOCATWKXLAO-LBPRGKRZSA-N 368.411 1.458 50 50 FDGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccco1 4347442 MTUCBVLCDDFRMQ-CAOOACKPSA-N 350.172 1.922 50 50 FDGA CC(C)(C)c1ccc(OCCNC(=O)c2ccc(B(O)O)c(C=O)c2)cc1 2325867189 NRQKQEHYNWQDQK-UHFFFAOYSA-N 369.226 1.285 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 2897935 LRSORNIXWUNBDJ-YBFXNURJSA-N 357.366 1.801 50 50 FDGA CCN1CCN(CC(=O)N/N=C/c2ccc(Br)cc2)CC1 19595002 XJMFEJLLUQXBCT-GZTJUZNOSA-N 353.264 1.537 50 50 FDGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Br)cc1 4610994 AXKLWJOPUQVVIY-OVCLIPMQSA-N 367.163 1.755 50 50 FDGA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(NC(=O)CCl)CC1 1875368877 SPRNAZCWFWGOME-ZDUSSCGKSA-N 373.881 1.732 50 50 FDGA Cc1cc(NC(=O)c2cc(F)cc(B(O)O)c2)ccc1Br 169744278 DIXOWPIMCKUEGL-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA CN(C)N(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 840464048 UGMLVCDXIDNJHM-ZFWWWQNUSA-N 366.483 1.824 50 50 FDGA CN1CCN(C(=S)SSC(=S)N2CCN(C)CC2)CC1 3850564 OOBDBFPYJXJEHC-UHFFFAOYSA-N 350.604 1.432 50 50 FDGA biogenic CCNC(=S)NNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 6463154 OYTAKJKVWDLNFG-UHFFFAOYSA-N 351.379 1.782 50 50 FDGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCO 4453934 RVROXYRPFRRZGX-INIZCTEOSA-N 356.382 1.706 50 50 FDGA O=C(NNC(=O)c1c(O)c2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1 6446924 CXCZBASUFALCKQ-UHFFFAOYSA-N 368.305 1.217 50 50 FDGA CCOC(=O)C1=C(C)N/C(=C\C(C#N)=C(/N)NNc2ccccc2)C1=O 23283610 MENGJSRHZOPFQD-HMOFICQISA-N 353.382 1.190 50 50 FDGA Cc1occc1C(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 229654059 XEQIOWBMWGNPLF-SGMGOOAPSA-N 366.443 1.075 50 50 FDGA C[C@@H](Cl)C(=O)NNC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 2755514 OACKIRQXKOHCRN-SECBINFHSA-N 351.750 1.228 50 50 FDGA C[C@@H](Cl)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1875364323 LJUFOTWICJBGRG-GFCCVEGCSA-N 351.900 1.267 50 50 FDGA COc1cccc(/C=N/NC(=O)N/N=C/c2cccc(OC)c2O)c1O 1192883 XRKAJPMKOXHUPA-VNIJRHKQSA-N 358.354 1.782 50 50 FDGA COc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1947589 UTIZEQYFWHPMJC-CAOOACKPSA-N 362.367 1.545 50 50 FDGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 2115295 SLFTZGYYZGARBA-LDYMZIIASA-N 370.667 1.607 50 50 FDGA Cc1ccc(NC(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 17072667 PJBYPKRSRSNAPP-UHFFFAOYSA-N 350.356 1.918 50 50 FDGA C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325754956 ODFHRBFYDVCZSK-SDADXPQNSA-N 359.426 1.169 50 50 FDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2cccc(C)c2)c2ccccc21 1954457 BWZSUJKCYRIQHJ-XLNRJJMWSA-N 362.389 1.987 50 50 FDGA COc1cc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc(OC)c1OC 100492694 AZHWFOMIENSVJG-SILNSSARSA-N 369.377 1.823 50 50 FDGA COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1C 9087417 PIKRWIFIYZWFTC-ZIAGYGMSSA-N 359.407 1.792 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2F)CC1 2325889168 CNCHXAMQDOIRPQ-UHFFFAOYSA-N 353.781 1.665 50 50 FDGA Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCNC2=O)c(C)n1C[C@H]1CCCO1 295730227 YHNDWWZXMKWXHS-NCNAPHLGSA-N 370.453 1.586 50 50 FDGA CC(C)(C)c1ccc(/C=N/NC(=O)CN2CCS(=O)(=O)CC2)cc1 52518713 DYRMOJPDXABPMK-LDADJPATSA-N 351.472 1.165 50 50 FDGA Cc1ccc(NC(=O)NNC(=O)CNC(=O)NCc2ccco2)c(C)c1 2155870 POBHXUMUMYIYJW-UHFFFAOYSA-N 359.386 1.549 50 50 FDGA COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 2900821 LTWDZWOVSVNADH-VXLYETTFSA-N 371.349 1.491 50 50 FDGA COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c1 4209353 QSDBZXFDCIPGMT-SRZZPIQSSA-N 355.394 1.892 50 50 FDGA O=C(Nc1ccc2c(c1)C(=O)N([C@@H]1CCCNC1=O)C2=O)[C@H](F)Cl 2325901603 MVWPLYQGQIBLCQ-MNOVXSKESA-N 353.737 1.034 50 50 FDGA CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1 2155203 IAPXDJMULQXGDD-LLVKDONJSA-N 353.331 1.269 50 50 FDGA in-vitro NNC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3Cc4c([nH]c5ccccc45)C[C@@H]3C[C@H]21 230042822 FSQRVRPQXUTOFA-GFRIEMEDSA-N 354.454 1.292 50 50 FDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cc(Br)ccc1O 100557095 YLPHEEFKVAZPJS-JRUYLCMPSA-N 367.203 1.507 50 50 FDGA COc1ccc(NC(=S)NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 13545748 CBUBGHGBSAALOV-UHFFFAOYSA-N 364.387 1.208 50 50 FDGA O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NC1CCCCC1 13623073 HRYJMAVHOLFNOT-OAHLLOKOSA-N 358.442 1.698 50 50 FDGA COCCCNC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1 13519557 GSIDKPWMMRNCCX-UHFFFAOYSA-N 373.478 1.454 50 50 FDGA COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)O 2305109 NKIQXRNAAANRFA-WTWVRAIASA-N 360.366 1.361 50 50 FDGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 2115301 SLFTZGYYZGARBA-KWQFWETISA-N 370.667 1.607 50 50 FDGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCCO2 4210336 RHBHZTVNXNSWLV-UFFVCSGVSA-N 373.796 1.991 50 50 FDGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc(OC)c1OC 18115187 WTBZLSXEEUIZGZ-HNNXBMFYSA-N 369.377 1.927 50 50 FDGA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=S)NC[C@H]1CCCO1 2853365 PVPXKUYNGLEKES-BLLLJJGKSA-N 363.483 1.617 50 50 FDGA CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2853329 AFQJVLBRKJBEEY-UHFFFAOYSA-N 370.434 1.984 50 50 FDGA COC(=O)CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 13595750 UHKYNTSRQWUQRK-UZYVYHOESA-N 351.362 1.269 50 50 FDGA COC(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 679507 AYPFQOBXKAFAIT-INIZCTEOSA-N 370.365 1.497 50 50 FDGA CC[C@@H](Br)C(=O)NCCNC(=O)[C@H](Br)CC 3122780 ZLCVERVTANFFLI-HTQZYQBOSA-N 358.074 1.566 50 50 FDGA C[C@@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)C[C@@H](C)O1 229495780 DHAMBNWRPXYDSW-SCUCTCNRSA-N 371.437 1.839 50 50 FDGA N#CC1(C#N)C[C@@]2(O)NC(=O)[C@@]1(C#N)[C@H](c1ccccc1)[C@@H]2Br 229986065 PHHURESSVHMUKY-KOZAUXTDSA-N 371.194 1.299 50 50 FDGA COc1ccc(C(=O)NNC(=O)c2cc3cccc(OC)c3oc2=O)cc1 783452 BTAJVGGQQWNEPN-UHFFFAOYSA-N 368.345 1.885 50 50 FDGA COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 5010191 MLVLGFSADFGEMO-OOIIIRTPSA-N 365.411 1.593 50 50 FDGA Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(Cl)c2)n(C)n1 1000023 RQBLIPKXEYXMND-UHFFFAOYSA-N 357.197 1.875 50 50 FDGA CN(C)c1ccc(/C=N/NC(=O)Cc2nonc2N)cc1Br 1206779 AUUZSBFZFPCDTA-FRKPEAEDSA-N 367.207 1.173 50 50 FDGA CC(=O)N1CCc2cc(C(=O)NNc3nc4ccccc4c(=O)[nH]3)ccc21 137214893 ZAIRPDSZSSZHKL-UHFFFAOYSA-N 363.377 1.589 50 50 FDGA COc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1OC 1082126 XEHBIASUMGPUJD-FRKPEAEDSA-N 367.203 1.964 50 50 FDGA COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(C#N)cc2)C(C#N)=C(N)O1 1387151 AVEKSCTWMCLAFV-OAHLLOKOSA-N 353.334 1.356 50 50 FDGA NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 951726917 QHQAEKWMCYUJOH-KRWDZBQOSA-N 351.410 1.568 50 50 FDGA COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 8159014 XIHFEZOOLWPGFQ-UHFFFAOYSA-N 365.367 1.439 50 50 FDGA COc1ccc(Br)cc1/C=N/NC(=O)C[C@@H]1C(=O)NN=C1C 100638808 KDJQWVKZCUQZIR-JRUYLCMPSA-N 367.203 1.420 50 50 FDGA COc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3c(C)cccc32)cc1 5520565 IHRKGNHAAADKRA-FXBPSFAMSA-N 353.378 1.879 50 50 FDGA O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1cccc(Cl)c1 8994225 TUOPMUVSDDWNBH-UHFFFAOYSA-N 357.753 1.962 50 50 FDGA CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 252444061 YGMNLFCZNWOCCU-WMHQRMGPSA-N 358.394 1.758 50 50 FDGA CCN1CCN(CC(=O)N/N=C/c2cccc(Br)c2)CC1 19537790 RPZCIZBNBMQUNT-GZTJUZNOSA-N 353.264 1.537 50 50 FDGA O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)NCc1ccccc1 2859990 IFZUUGVGJKIXKN-UHFFFAOYSA-N 361.785 1.183 50 50 FDGA COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1OC 2530358 ZUIDYTBPAMOMTG-VXLYETTFSA-N 358.350 1.931 50 50 FDGA COc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2865101 RDVIDLPMVPFVNF-UHFFFAOYSA-N 360.282 1.586 50 50 FDGA COC(=O)N[C@@H](O[C@H](NC(=O)OC)C(Cl)Cl)C(Cl)Cl 3121692 WSCOFZYKOHIYHJ-WDSKDSINSA-N 358.005 1.975 50 50 FDGA CCOC(=O)/C(C)=N/NC(=O)c1cc[n+](CC(=O)c2ccccc2)cc1 4134971 DIKJAMVIZVQLNQ-UHFFFAOYSA-O 354.386 1.526 50 50 FDGA Cc1ccc(F)cc1NC(=O)c1cc(Br)cc(B(O)O)c1 169744727 ZILCNSRFEUPMBV-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 2542689 MNENIDPJLMWMDI-SSDVNMTOSA-N 362.389 1.717 50 50 FDGA CN(C)N(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 840464039 UGMLVCDXIDNJHM-HIFRSBDPSA-N 366.483 1.824 50 50 FDGA O=C(NNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)c1cc[nH]n1 855358222 CBAFUBVXBIBPCE-SNVBAGLBSA-N 371.426 1.092 50 50 FDGA CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(B(O)O)c(C=O)c1 2325873561 LJUXTXFCNZGMTC-KRWDZBQOSA-N 355.199 1.411 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c(O)c1 55444209 ONLHZJYNVOZZCA-WQHXNLHFSA-N 353.378 1.381 50 50 FDGA O=C(NN=c1ccc2nncn2[nH]1)c1ccc(C2(C(F)(F)F)CC2)cc1 2325776119 ORTXLPSOFVFKLS-UHFFFAOYSA-N 362.315 1.897 50 50 FDGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 239274692 AOQNHRQWCDISGJ-YCLREWFLSA-N 360.410 1.657 50 50 FDGA COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2898720 PIVYLCUMPODREO-YBFXNURJSA-N 356.338 1.370 50 50 FDGA COc1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)c(OC)c1OC 100301399 KPEMCKUDZTUKRR-KBSHCFNASA-N 362.386 1.065 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1OC 3059804 UAZPXONFKLUUDX-UFFVCSGVSA-N 359.357 1.723 50 50 FDGA O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(Cl)cc1Cl 5713557 BUTOAMFSHANNKM-UHFFFAOYSA-N 353.165 1.788 50 50 FDGA COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1C 9087414 PIKRWIFIYZWFTC-KBPBESRZSA-N 359.407 1.792 50 50 FDGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc2c(c1)OCO2 1922242 KCZBESDGBDDEFM-DNTJNYDQSA-N 359.769 1.949 50 50 FDGA O=C(CNC(=O)NCc1ccoc1)NNC(=O)Nc1cccc(Cl)c1 2172251 CDOULWZINWYFDT-UHFFFAOYSA-N 365.777 1.585 50 50 FDGA COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4230334 ICHLALPYFNBZIX-VXLYETTFSA-N 358.350 1.688 50 50 FDGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=S)NC[C@H]1CCCO1 6824053 VLPYJSZVPHDDMH-ZWNOBZJWSA-N 368.415 1.036 50 50 FDGA COc1ccccc1/C=N/NC(=O)CC(=O)N/N=C/c1ccccc1OC 2566385 HGOFOAOQXWUXHJ-ZIOPAAQOSA-N 368.393 1.694 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2)cc1OC 1952520 FUKRVQKUABSAPT-KEBDBYFISA-N 357.366 1.290 50 50 FDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@@H]1COc2ccccc2O1 5904048 CMBYKYPGYZZQKJ-AWEZNQCLSA-N 368.305 1.207 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c(O)c1 16677562 ONLHZJYNVOZZCA-TYHHJKLVSA-N 353.378 1.381 50 50 FDGA COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1 32614426 OWMRVORSIMZQBS-UCMRUTMUSA-N 367.405 1.684 50 50 FDGA CN(C)CCn1cc(C(=O)NNc2cccc(-c3cccnc3)n2)cn1 1875328073 WULIRTGFQXSLCR-UHFFFAOYSA-N 351.414 1.659 50 50 FDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 2900188 WNAISESGFLXEJF-YBFXNURJSA-N 357.366 1.801 50 50 FDGA COc1ccc(NC(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 1398972 SNWDDBIJRGMVRU-HNNXBMFYSA-N 355.354 1.436 50 50 FDGA COc1cc(OC)nc(SCC(=O)N/N=C/c2ccccc2OC)n1 3130335 JXQIGXMHWABHLR-RQZCQDPDSA-N 362.411 1.745 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4229906 FJMAKYLFIUPZRZ-SRZZPIQSSA-N 353.378 1.662 50 50 FDGA Cc1cc(C)n(CC(=O)NNC(=O)Cc2cncn2Cc2ccccc2)n1 225702713 ZHJBXSCVCORZCB-UHFFFAOYSA-N 366.425 1.135 50 50 FDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C(/C)c1ccc(Br)cc1 100064612 VQTYVBHXKUSRCG-LUMBYOQCSA-N 351.204 1.801 50 50 FDGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)/C=C/C(=O)O 2789228 FWOWKLQPVIDTMZ-PORFMDCZSA-N 361.181 1.939 50 50 FDGA CCCc1[nH]nc2c1[C@H](c1cccc(OCC(N)=O)c1)C(C#N)=C(N)O2 5130111 GXOQAHBHLPGHOR-OAHLLOKOSA-N 353.382 1.444 50 50 FDGA C[C@@]1(C(=O)NNC(=O)[C@@]2(C)C[C@H]2Br)C[C@H]1Br 5370292 CDNSNKYVQJZYJO-QLSQZMLOSA-N 354.042 1.481 50 50 FDGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1 2082929090 VHEPAUMSZQSNDT-AWEZNQCLSA-N 371.418 1.378 50 50 FDGA Cc1cc(C)n2nc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)nc2n1 252679647 PPODWGVHIZESNS-UHFFFAOYSA-N 355.314 1.119 50 50 FDGA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1cccc([N+](=O)[O-])c1 15018505 KTNJNTPSPCVZSB-UHFFFAOYSA-N 369.293 1.898 50 50 FDGA COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(OC)c1OC 1205153 MVYPWRQAXNXLAH-VXLYETTFSA-N 369.381 1.607 50 50 FDGA Cc1nc([C@H]2CCCN(C(=O)CCl)C2)oc1C(=O)N1CCOCC1 1875374659 BVIUQSGUQQSKKR-LBPRGKRZSA-N 355.822 1.400 50 50 FDGA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=S)NC[C@@H]1CCCO1 2853367 PVPXKUYNGLEKES-LRDDRELGSA-N 363.483 1.617 50 50 FDGA COc1cc([C@@H]2[C@]3(C#N)C(=N)NC(=C(C#N)C#N)[C@@]23C#N)cc(OC)c1OC 253471741 YNFJPQXKUNZAME-KFKAGJAMSA-N 374.360 1.711 50 50 FDGA O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 1920322 UHQJCNKKFUJZOK-MHWRWJLKSA-N 362.367 1.023 50 50 FDGA Cn1cc([N+](=O)[O-])c(C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)n1 8306586 NVHYHEMRTJSAHA-UHFFFAOYSA-N 372.769 1.752 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2532854 BMOQQOJDNMHDCK-CIAFOILYSA-N 354.410 1.641 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 2573263 DLXJCCGVBVIZSE-SRZZPIQSSA-N 371.393 1.593 50 50 FDGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 4652423 WURLWQQUUAXUNI-LDYMZIIASA-N 370.667 1.607 50 50 FDGA C[C@@]1(C(=O)NNC(=O)[C@@]2(C)C[C@H]2Br)C[C@@H]1Br 4565243 CDNSNKYVQJZYJO-XCVPVQRUSA-N 354.042 1.481 50 50 FDGA COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(C)=O 1226637 KVGQSAOGACOAES-HGMDMCOWSA-N 370.361 1.911 50 50 FDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2cccc(Cl)c2)c2ccccc21 2573424 LPSPNMYJRTZIDX-SILNSSARSA-N 371.780 1.994 50 50 FDGA C[C@H](Cl)C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1875376456 XSALLWJJCKPGOQ-NWDGAFQWSA-N 358.866 1.795 50 50 FDGA CC(C)CCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 678510 AKZATDOAHHMODN-VIFPVBQESA-N 360.867 1.161 50 50 FDGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccncc2)C(C#N)=C(N)O1 850010 KDXGUUHUWIIUKT-OAHLLOKOSA-N 357.366 1.660 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2552996 QPAZRGWAYSBOMB-RGVLZGJSSA-N 370.365 1.874 50 50 FDGA O=C(O)CCSSCCNC(=O)c1c[nH]nc1OCC(F)(F)F 1875389052 ZVYDWOFXVPLTLH-UHFFFAOYSA-N 373.378 1.937 50 50 FDGA COc1ccccc1-c1cnc(COc2cccc(B(O)O)c2C=O)o1 2325825860 FPFPEZDICYWSCH-UHFFFAOYSA-N 353.139 1.422 50 50 FDGA C=CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(Br)cc1 6520889 GVCCQFNFPNFUHI-VIFPVBQESA-N 358.261 1.898 50 50 FDGA COc1cc(B(O)O)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 169903945 QSRZLYBVNHMVDO-UHFFFAOYSA-N 351.208 1.153 50 50 FDGA O=C(CCl)OCn1ncc(Br)c(Br)c1=O 1390452 WFJRRVAJZPYSMJ-UHFFFAOYSA-N 360.389 1.508 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2ccccc21 13598421 OGOIWHYNIJSCCM-HEHNFIMWSA-N 366.377 1.434 50 50 FDGA CCOc1ccc(CC(=O)NNC(=S)NCCOC)cc1OCC 6949565 IIIIOUCDKGKRCU-UHFFFAOYSA-N 355.460 1.168 50 50 FDGA Cc1cc(NC(=O)c2ccc(F)c(B(O)O)c2)ccc1Br 169744331 ONDWTWIQDWLZLY-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA CCn1c(COc2c(OC)ccc(B(O)O)c2C=O)nc2cc(F)ccc21 2325853940 IRTPXFZGPHWTAU-UHFFFAOYSA-N 372.161 1.275 50 50 FDGA CC1(C)[C@H](C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])CC[C@@]1(C)C(=O)O 22204606 VCSXXCVSTYYVHF-GTNSWQLSSA-N 363.370 1.883 50 50 FDGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cc2ccccc2cc1O 5494640 METZJWUABIZJDT-VCHYOVAHSA-N 354.326 1.851 50 50 FDGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=S)NC1CCCC1 1120094 XORYJQJEQKFEAY-SNVBAGLBSA-N 352.416 1.800 50 50 FDGA COc1ccc(CCNC(=S)NNC(=O)c2ccccn2)cc1OC 5042022 ARXYWQBDPFIZEN-UHFFFAOYSA-N 360.439 1.450 50 50 FDGA CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O 169946773 MXAYKZJJDUDWDS-LBPRGKRZSA-N 361.034 1.266 50 50 FDGA fda CS(=O)(=O)Nc1cccc(C(=O)NNc2nc(O)c3ccccc3n2)c1 758300279 SUNHDQLMJBXNRL-UHFFFAOYSA-N 373.394 1.464 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 16134331 PNVSTRHMYMCWLJ-YYUCUKARSA-N 353.378 1.381 50 50 FDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(O)cc1 19371184 GRQAZVXHVSCMCW-KGENOOAVSA-N 352.438 1.660 50 50 FDGA N#CC(NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)=C(Cl)Cl 1857800322 XOZNUAWUHHWHOQ-UHFFFAOYSA-N 364.210 1.964 50 50 FDGA COCCNC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 2969894 NQXZGWBFPVLQGK-ONNFQVAWSA-N 353.172 1.847 50 50 FDGA COc1cc(C(=O)NNC(=O)C(C)(C)C(N)=O)ccc1OCCC(C)C 225519243 DCWITZJOHBYIIT-UHFFFAOYSA-N 365.430 1.393 50 50 FDGA O=C(N/N=C/c1ccoc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17074408 DDVOJTKSXYWDKH-LZNAANCOSA-N 361.423 1.831 50 50 FDGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@]12C(=O)Nc1ccccc12 718527 JYAWGSGEMRXXJA-LJQANCHMSA-N 356.345 1.796 50 50 FDGA N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nn(CCO)c(N)c1C#N 5019222 QUTOJOBEVGJZQS-BJMVGYQFSA-N 358.745 1.955 50 50 FDGA COc1ccc2cc(/C=N/NC(=O)CN3CCOCC3)c(Cl)nc2c1 19770681 XPUNHVOHKJYKOK-VXLYETTFSA-N 362.817 1.679 50 50 FDGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F 2770108 MVFSCNAKGMPUKJ-LDYMZIIASA-N 361.650 1.977 50 50 FDGA COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(C)=O 1226635 KVGQSAOGACOAES-SVYXSEEQSA-N 370.361 1.911 50 50 FDGA CCOC(=O)CSC1=NC(N)=C(C#N)C2(CCCCC2)[C@H]1C(N)=O 19848496 WYOPTJMEBDUJQS-LBPRGKRZSA-N 350.444 1.441 50 50 FDGA Cc1cccc(CN2CCN(C(=O)NNC(=O)c3cccnc3)CC2)c1 139148225 ZXVZQIMMTUSTOH-UHFFFAOYSA-N 353.426 1.562 50 50 FDGA Cc1ccc(Cl)c(OCC(=O)NNC(=S)NC[C@H]2CCCO2)c1 6844581 YERWLMYMTFLZPQ-LLVKDONJSA-N 357.863 1.702 50 50 FDGA COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 2656232 GNZDHDNRQAMKJZ-HNNXBMFYSA-N 353.378 1.570 50 50 FDGA COc1c(O)ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] 1226645 JXUZXWITVHQLAM-PVJNQWLSSA-N 373.321 1.599 50 50 FDGA COc1ccc(S(=O)(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 4578258 WOAOPXLBQFJJTB-UHFFFAOYSA-N 366.395 1.336 50 50 FDGA O=C(CCCCC(=O)N/N=C\c1ccncc1)NN=Cc1ccncc1 954204910 ASOKQIZNAIYDDX-GXLPUXAXSA-N 352.398 1.637 50 50 FDGA Cc1ccc(OCC(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C(=O)O)cc1 239302630 FNGLBYOWFVCABK-MCBIMKKHSA-N 358.394 1.434 50 50 FDGA CC(=O)N[C@H]1CC[C@@H](CC(=O)NNC(=O)Cc2ccccc2Cl)C1 888096293 SCIYRBNJEVKDFT-OCCSQVGLSA-N 351.834 1.725 50 50 FDGA COCCCNC(=S)NNC(=O)Cc1ccc(Br)cc1 2851374 ZFQLYRXPUKTAMV-UHFFFAOYSA-N 360.277 1.523 50 50 FDGA O=C(CCN1CCOCC1)NNC(=O)Nc1cccc(C(F)(F)F)c1 20511918 PMKJCWPVPMLWSE-UHFFFAOYSA-N 360.336 1.580 50 50 FDGA COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)NN)cc(OC)c1OC 1214530 LWRDXROOEUYXOZ-NTEUORMPSA-N 371.393 1.473 50 50 FDGA Cc1cc2c(c(=O)o1)[C@]1(C(=O)N3CCCc4cccc1c43)C(C#N)=C(N)O2 814351 CLIVTMICSPIECP-HXUWFJFHSA-N 361.357 1.613 50 50 FDGA O=C(CCl)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1875375337 ZVPIFALZXXTULY-UHFFFAOYSA-N 351.878 1.713 50 50 FDGA COc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc(OC)c1OC 2850982 ZTNVXKVOHKLLOW-NSHDSACASA-N 369.443 1.000 50 50 FDGA COc1ccccc1C(=O)N/N=C1\C(=O)Nc2c(C)cc([N+](=O)[O-])cc21 15015361 CWCFXTIJZCPSLU-UHFFFAOYSA-N 354.322 1.998 50 50 FDGA C[C@@H](C(=O)NNc1ncnc2ccccc12)N1C(=O)c2ccccc2C1=O 225401947 QJELMRAVEXUCJU-NSHDSACASA-N 361.361 1.758 50 50 FDGA O=C1COc2ccc(C(=O)NNc3nc(O)c4ccccc4n3)cc2N1 758299268 STPGVHVFNQUAOV-UHFFFAOYSA-N 351.322 1.423 50 50 FDGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1OC 1444272 AVIXJDLTQHEYMK-CQSZACIVSA-N 356.334 1.367 50 50 FDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cn2cncn2)cs1 4727528 ZGRMLGXPWOITGP-AWEZNQCLSA-N 357.395 1.643 50 50 FDGA COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NN)cc(OC)c1OC 1497234 ONMBBXIZOMXBRU-CQSZACIVSA-N 373.409 1.043 50 50 FDGA CCOC(=O)CSC1=NC(N)=C(C#N)C2(CCCCC2)[C@@H]1C(N)=O 19848495 WYOPTJMEBDUJQS-GFCCVEGCSA-N 350.444 1.441 50 50 FDGA N#CC(=Cc1c[nH]nc1-c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2082933787 VBAFMJVCBNIWTM-HNNXBMFYSA-N 356.407 1.287 50 50 FDGA CN(CCOCCN(C)C(=O)c1cc2n(n1)CCCC2)C(=O)CCl 1875384087 LGNTWIAGTQWJJI-UHFFFAOYSA-N 356.854 1.005 50 50 FDGA COc1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c([N+](=O)[O-])cc1OC 1087206 RURQMSAQIRWKFO-CAOOACKPSA-N 361.310 1.787 50 50 FDGA COc1nc(N2CCN(C(=O)[C@H](C)Cl)CC2)ncc1Br 1875364417 QLIIINORTHNMHE-QMMMGPOBSA-N 363.643 1.524 50 50 FDGA CC[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](CC)CO1 404054145 KKNJJVBCOHYCEP-RYUDHWBXSA-N 365.448 1.923 50 50 FDGA COC(=O)c1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1 28632401 RNLUSNZWALOSRL-PCIJEJQOSA-N 365.389 1.453 50 50 FDGA O=C(CCl)NNC(=O)c1cc(Br)c(Br)[nH]1 952879405 POPXZNREDYXUOY-UHFFFAOYSA-N 359.405 1.540 50 50 FDGA CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(B(O)O)c3)cccc12 169997437 TYXMKSYBCDTGDU-UHFFFAOYSA-N 370.239 1.386 50 50 FDGA Cl[C@@H]1C[C@H]1CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 2325800930 NKAACOHPZKUTIP-RRFJBIMHSA-N 351.882 1.499 50 50 FDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 135936114 COYHOSGBUYLGIB-LWWSYDQCSA-N 350.802 1.777 50 50 FDGA Cc1nn(C)c(NNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1C#N 1875349546 BEZRYCXARHQOFO-YOEHRIQHSA-N 366.425 1.653 50 50 FDGA O=C(Nc1ccc(Br)cc1F)c1ccc(B(O)O)c(F)c1 169744645 XVVPCGCSUVEGRH-UHFFFAOYSA-N 355.931 1.659 50 50 FDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189123 KNWRSBPCMOZEQH-KRWDZBQOSA-N 370.321 1.346 50 50 FDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2c(C)cccc21 5648300 HPGFYXGQKAFGNK-FXBPSFAMSA-N 353.378 1.879 50 50 FDGA COC(=O)c1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1 28632399 RNLUSNZWALOSRL-OYVQJDAOSA-N 365.389 1.453 50 50 FDGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)OC(=O)[C@H]12 104129559 IQWDOEXTRZOIDG-MLKRKXMVSA-N 361.992 1.963 50 50 FDGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 2115303 SLFTZGYYZGARBA-GZMMTYOYSA-N 370.667 1.607 50 50 FDGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=S)NC[C@@H]1CCCO1 6824051 VLPYJSZVPHDDMH-MFKMUULPSA-N 368.415 1.036 50 50 FDGA O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 254435133 XXUXXCZCUGIGPP-UHFFFAOYSA-N 365.214 1.474 50 50 FDGA Cc1nn(C)c(NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1C#N 1875344500 FXDANLVYWBXEEC-CXAGYDPISA-N 352.442 1.811 50 50 FDGA COc1nn(CCC(=O)NNC(=S)NC2CCCCC2)cc1[N+](=O)[O-] 2782117 MHXXQHJNLIWJTJ-UHFFFAOYSA-N 370.435 1.018 50 50 FDGA Cc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 5620404 IOENOGTXYMIHGK-UHFFFAOYSA-N 354.322 1.755 50 50 FDGA O=C(NNC(=O)c1ccco1)c1cccc(I)c1 1212285 MFCASDQQCSGEOA-UHFFFAOYSA-N 356.119 1.959 50 50 FDGA C[C@H](Cl)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1875364697 QOUVSGGNLSDIDW-QWHCGFSZSA-N 353.854 1.026 50 50 FDGA COc1cccc(OCC(=O)N/N=C(\C)c2cccc(-n3cnnn3)c2)c1 25761777 RNILDBYCAWPVLS-DEDYPNTBSA-N 366.381 1.590 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(F)cc2Cl)C1 2325889367 MSGZEXSBBGEIIU-SNVBAGLBSA-N 353.781 1.665 50 50 FDGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(F)cc1F)C(F)(F)F 2769524 PDZAGCMOBFAKJG-KCJUWKMLSA-N 361.650 1.977 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1 1875371955 RGCNRPCFBSVPRO-UHFFFAOYSA-N 354.410 1.282 50 50 FDGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4744004 IHWFRMZYYOXCDB-OAQYLSRUSA-N 370.368 1.863 50 50 FDGA COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1781549 URQXCGRLLLWQIQ-NYYWCZLTSA-N 371.349 1.843 50 50 FDGA CC(C)(C)c1ccccc1NC(=O)COc1cccc(B(O)O)c1C=O 2325826199 TVMFMDDNQROQHE-UHFFFAOYSA-N 355.199 1.494 50 50 FDGA COc1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 2779468 SOIFAAOMGXCLGH-UHFFFAOYSA-N 351.340 1.227 50 50 FDGA COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](N)C(=O)N23)cc1 22048217 PBKFYMCZYNFVIA-IUODEOHRSA-N 368.842 1.474 50 50 FDGA in-vitro CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cccnc2)C(C#N)=C(N)O1 808823 XRRDWHLWBRCGAX-OAHLLOKOSA-N 357.366 1.660 50 50 FDGA CC#CCCCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776214836 XOFFARMBTMMVEY-UHFFFAOYSA-N 366.462 1.816 50 50 FDGA COC(=O)N(C)NS(=O)(=O)c1cc(Br)ccc1OC 241287082 LJSDKELLLYRAHY-UHFFFAOYSA-N 353.194 1.349 50 50 FDGA COc1cccc(O[C@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c1 17073197 AKWRKOQPHAHTNS-BXUZGUMPSA-N 353.444 1.137 50 50 FDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 1420977 UUYQXIGCWUSXSN-OAHLLOKOSA-N 356.334 1.367 50 50 FDGA biogenic NNC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 1398061 SFPGZDPYGDUIHI-UHFFFAOYSA-N 369.786 1.826 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1 3061736 JJYMVAQCMKDPJY-YBFXNURJSA-N 357.366 1.888 50 50 FDGA Cc1ccc(NC(=O)c2cc(F)cc(B(O)O)c2)c(Br)c1 169744440 XLPQDJVQVLDCRD-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA C[C@H](Cl)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1875364324 LJUFOTWICJBGRG-LBPRGKRZSA-N 351.900 1.267 50 50 FDGA COc1ccccc1/C=N/NC(=O)c1[nH]ncc1I 787497 MYVDRIYIENPLFE-MKMNVTDBSA-N 370.150 1.787 50 50 FDGA COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)c(OC)c1OC 1875364345 LQVWTOMIKWBHND-NSHDSACASA-N 370.833 1.624 50 50 FDGA COc1ccc(/C=N/NC(=O)c2[nH]ncc2I)cc1 787502 QZLLJIZVOHDWLZ-MKMNVTDBSA-N 370.150 1.787 50 50 FDGA CC1(C)[C@H](C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])CC[C@]1(C)C(=O)O 22204611 VCSXXCVSTYYVHF-APPDUMDISA-N 363.370 1.883 50 50 FDGA C[C@@H](Cl)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1875376236 POLFININYVTGBH-IEBDPFPHSA-N 356.772 1.688 50 50 FDGA C[C@H](Cl)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1875376235 POLFININYVTGBH-GDPRMGEGSA-N 356.772 1.688 50 50 FDGA O=C(NNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)c1cc[nH]n1 855358221 CBAFUBVXBIBPCE-JTQLQIEISA-N 371.426 1.092 50 50 FDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 6860284 PGDUEMRZGVRXRI-UFFVCSGVSA-N 369.377 1.339 50 50 FDGA COc1ccccc1C(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21 4963309 LURFADULHGRXEV-SDXDJHTJSA-N 354.322 1.714 50 50 FDGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1188882 YDQJIGDLGINZFE-RBFDBLARSA-N 361.467 1.743 50 50 FDGA C[C@H](Cl)C(=O)N1C[C@@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 1875363927 DPKRHFLZITWOBC-WFASDCNBSA-N 351.834 1.182 50 50 FDGA Nc1nonc1C(=O)N/N=C/c1cccc(I)c1 1199715 OAVUOGVMGRACCQ-WLRTZDKTSA-N 357.111 1.020 50 50 FDGA O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)Nc1ccc2c(c1)OCO2 2851895 VPESESMHLJVPBD-UHFFFAOYSA-N 358.310 1.719 50 50 FDGA O=C(Nc1ccc(Br)cc1F)c1cc(F)cc(B(O)O)c1 169744211 DTKFRNOWJMRESZ-UHFFFAOYSA-N 355.931 1.659 50 50 FDGA O=C(OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 2918334 SCAOBURUULWHRC-UHFFFAOYSA-N 357.171 1.220 50 50 FDGA O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\NC(=O)c1cccc([N+](=O)[O-])c1 15636396 IMFDDUNAAGUPQF-LGMDPLHJSA-N 372.293 1.916 50 50 FDGA COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2F)cc1OC 2903172 KVRULZXYYUYCHO-WSDLNYQXSA-N 373.384 1.652 50 50 FDGA COc1ccc(C(=O)N[C@@H](C(=O)NN)C23CC4CC(CC(C4)C2)C3)cc1 4247278 SKWXUQRZXVXTHF-UTNBAMHJSA-N 357.454 2.000 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1O 32614446 BLBDUCQOLMFSHL-DEYZGYBNSA-N 353.378 1.381 50 50 FDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c(OC)c1 2901995 QBKUKJWCQXDZRC-YBFXNURJSA-N 357.366 1.801 50 50 FDGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4744008 IHWFRMZYYOXCDB-NRFANRHFSA-N 370.368 1.863 50 50 FDGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 2520062 ZNWPIYLSKVHPKN-GIJQJNRQSA-N 373.321 1.587 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1OC 4721560 NKEKFCLOIDMSSV-UKABBSSWSA-N 367.405 1.684 50 50 FDGA C[C@@H](Cl)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1875363944 FJUXJCBIPDMXBR-MRVPVSSYSA-N 350.790 1.429 50 50 FDGA COc1cc(C(=O)NNC(=O)NC2CCCCC2)cc(OC)c1OC 1200776 MXICDJDHVDPZKA-UHFFFAOYSA-N 351.403 1.989 50 50 FDGA CCOC(=O)C/C(C)=N/NC(=O)/C(C#N)=N/Nc1ccccc1[N+](=O)[O-] 8781550 HXZVUZMZIKXWEK-SCQXFAKPSA-N 360.330 1.332 50 50 FDGA CCOC(=O)/C(=N/Nc1ccccc1OC)C(=O)OCBr 4566296 GPXDDXRQUJDIDI-WJDWOHSUSA-N 359.176 1.922 50 50 FDGA NC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 100321725 KFLZTCVSYXAODD-UHFFFAOYSA-N 361.981 1.536 50 50 FDGA CCn1ncc(NC(=S)NNC(=O)c2nn(C)c(C)c2Cl)c1C 2802856 IXIAYLBEZBYGGM-UHFFFAOYSA-N 355.855 1.538 50 50 FDGA CC1(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)OCCO1 1214085 NIHFQTVRIDSPDZ-FRKPEAEDSA-N 371.187 1.781 50 50 FDGA CNC(=S)NNC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 4727661 SVZGCMNLSPJVTM-UHFFFAOYSA-N 370.438 1.233 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)NCc2ccco2)cc1OC 2141344 VJMQWCIGMMICAE-AWQFTUOYSA-N 360.370 1.246 50 50 FDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 2532015 WYLYNAXVYKQXJG-LSHDLFTRSA-N 366.352 1.547 50 50 FDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 2532024 KBUDPCHQWYVHMD-SSDVNMTOSA-N 362.389 1.717 50 50 FDGA O=C(CCn1ccc([N+](=O)[O-])n1)N/N=C/c1ccc(OC(F)F)cc1 2783645 QUISOHFTIFSAAA-RQZCQDPDSA-N 353.285 1.933 50 50 FDGA Cc1ccc(Cl)c(OCC(=O)NNC(=S)NC[C@@H]2CCCO2)c1 6844579 YERWLMYMTFLZPQ-NSHDSACASA-N 357.863 1.702 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1O 29647859 PNVSTRHMYMCWLJ-XWPOGNRXSA-N 353.378 1.381 50 50 FDGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1[N+](=O)[O-] 1880020 VTFGKSLITYZLBR-FRKPEAEDSA-N 358.266 1.996 50 50 FDGA NC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2948859 IEEJRXRJMUKABA-CXUHLZMHSA-N 364.339 1.365 50 50 FDGA O=C(Cn1nnc2ccccc21)NNC(=O)c1ccc(Br)cc1 5778227 XGJYOHPFAQCGIA-UHFFFAOYSA-N 374.198 1.655 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 2901705 KATPPGOWBJGXHT-YBFXNURJSA-N 357.366 1.801 50 50 FDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c1OC 43761051 QRZQRTCCZJGOMA-SRZZPIQSSA-N 355.394 1.892 50 50 FDGA CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1cc(Br)ccc1O 9088447 LRLPUSHNAXUNGK-UWJMNNEMSA-N 353.176 1.957 50 50 FDGA CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 8773053 BUIOXIWVVCOYLY-UHFFFAOYSA-N 364.858 1.679 50 50 FDGA Cc1cc(NC(=O)c2cccc(B(O)O)c2F)ccc1Br 169744667 FTAROWOZRGONAW-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4260055 LMJJPXHMCXSBOR-GIJQJNRQSA-N 373.321 1.587 50 50 FDGA CC1(C)O[C@H]2[C@@H](O1)[C@@H](CI)O[C@@H]1OC(C)(C)O[C@H]21 38794844 JMIGDGVTFPSEMQ-SOYHJAILSA-N 370.183 1.818 50 50 FDGA in-vitro COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C(=O)O)c1OC 2934692 FONUPEJHWCEXJP-UFWORHAWSA-N 372.333 1.895 50 50 FDGA Cc1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C 839117 GUIBZNYTRKYVMJ-QGZVFWFLSA-N 356.378 1.670 50 50 FDGA COC(=O)N[C@@H](O[C@@H](NC(=O)OC)C(Cl)Cl)C(Cl)Cl 100822269 WSCOFZYKOHIYHJ-OLQVQODUSA-N 358.005 1.975 50 50 FDGA Cn1cc([C@@H]2OCCC[C@H]2C(=O)N/N=C/c2cccc3c2OCC3)cn1 1875272312 NSVGMHUNYRUPGC-PRNVQXPESA-N 354.410 1.973 50 50 FDGA O=C/C(=C\CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1772572637 FHHIUGYXPMPBER-FMIVXFBMSA-N 360.325 1.662 50 50 FDGA COC(=O)[C@H](CI)NC(=O)OCc1ccccc1 34612587 CADXRZVJHPSEOI-JTQLQIEISA-N 363.151 1.889 50 50 FDGA COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 32565769 DYJPZBSHMCYPJO-PXNMLYILSA-N 360.282 1.981 50 50 FDGA O=C(CCl)N[C@@H](O)C(Br)(Br)Br 71769926 FRVBPDDRAPOEOG-VKHMYHEASA-N 374.254 1.498 50 50 FDGA O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 17042688 WJGSUYHOLFTXSN-UHFFFAOYSA-N 368.305 1.217 50 50 FDGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2cccnc2)CC1=O 2325709752 HJRNSAKZULWUDI-BBRMVZONSA-N 352.394 1.452 50 50 FDGA O=C(NN=c1ccc2nncn2[nH]1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F 2325750503 JNAGBRFEZBDOCC-CMPLNLGQSA-N 360.780 1.976 50 50 FDGA O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1nnc2ccccc2n1 225501873 QULMKYORFYGSQS-UHFFFAOYSA-N 359.349 1.490 50 50 FDGA CN1CCN(CCC(=O)N/N=C/c2cccc(Br)c2)CC1 19535917 FFBSNKPWBFFYGD-SFQUDFHCSA-N 353.264 1.537 50 50 FDGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccn2C)sc(C(N)=O)c1C 6825035 OYQKXDBMSOKFNP-JXMROGBWSA-N 372.406 1.826 50 50 FDGA Cc1[nH]nc2c1[C@]1(C(=O)N2)C(C#N)=C(N)Oc2ccc(Br)cc21 1076897 YNJZNFGRXKPEAU-OAHLLOKOSA-N 372.182 1.805 50 50 FDGA Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] 12907702 NFGCQTZIZCQYLN-UHFFFAOYSA-N 369.293 1.898 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 4283492 WOOWMSOPBFRGTM-KEBDBYFISA-N 365.345 1.890 50 50 FDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)c1 2897857 KOZNIGABQVEAOS-YBFXNURJSA-N 357.366 1.801 50 50 FDGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1cccnc1 8300960 YECZPOZHCMFPJJ-UHFFFAOYSA-N 350.425 1.870 50 50 FDGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@]12C(=O)Nc1ccccc12 718433 XRUKLGPALYIEHW-LJQANCHMSA-N 356.345 1.796 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 1886321 BDOFHQFNHJYMPU-UHFFFAOYSA-N 360.282 1.343 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c(O)c1 55444207 ONLHZJYNVOZZCA-WYDGTYKPSA-N 353.378 1.381 50 50 FDGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2552994 BQWAGJQHKDVXRE-WSDLNYQXSA-N 353.353 1.718 50 50 FDGA C[C@@H](Oc1ccccc1)C(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 100491530 DCARHKHQGVMLMR-SNVBAGLBSA-N 354.322 1.835 50 50 FDGA Cc1[nH]nc2c1[C@@H](c1cc(CN3CCOCC3)cs1)C(C#N)=C(N)O2 19873864 MBYYXIAWWWUILQ-OAHLLOKOSA-N 357.439 1.830 50 50 FDGA NC(=S)NNC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 5735268 NSJMOISODWFABQ-UVTDQMKNSA-N 374.853 1.975 50 50 FDGA Cc1[nH]nc2c1[C@H](c1cc(CN3CCOCC3)cs1)C(C#N)=C(N)O2 19873862 MBYYXIAWWWUILQ-HNNXBMFYSA-N 357.439 1.830 50 50 FDGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccc([N+](=O)[O-])cc1 5494571 ALXRRJDMCDFPDJ-LDADJPATSA-N 368.353 1.911 50 50 FDGA O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1 1920332 XOGVFZYMZYSNTL-MHWRWJLKSA-N 362.367 1.023 50 50 FDGA O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 32189294 QREOLHMOASQEKU-APSNUPSMSA-N 358.266 1.996 50 50 FDGA O=C(CCn1cnc([N+](=O)[O-])n1)N/N=C/c1ccc(OC(F)F)cc1 2783585 CONTYMJLLOLVKB-REZTVBANSA-N 354.273 1.328 50 50 FDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1 2899219 QKIGFDONMZEIAK-YBFXNURJSA-N 357.366 1.801 50 50 FDGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1COc2ccccc2O1 1226651 OOTWSDPJIIYJCW-CUEYBHPASA-N 371.305 1.614 50 50 FDGA COc1cc(OC)c(OC)cc1C=NNC(=O)Cn1nnc2ccccc21 252394547 QRXNLRCRHQRXKE-UHFFFAOYSA-N 369.381 1.607 50 50 FDGA CCOC(=O)/C(C#N)=C/c1ccc(OCc2c(C)no[n+]2[O-])c(OC)c1 1208021 JGMDVGZOPQECRR-NTUHNPAUSA-N 359.338 1.674 50 50 FDGA O=C(CCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O 8656064 IKQDBMRHCBEHHH-UHWBUFEVSA-N 354.366 1.478 50 50 FDGA NNC(=O)[C@H]1[C@H]2C[C@@H]3Cc4[nH]c5ccccc5c4CN3C[C@H]2CC[C@H]1O 245239143 FSQRVRPQXUTOFA-XIGDWMAMSA-N 354.454 1.292 50 50 FDGA Cc1ccc(NC(=O)c2cccc(B(O)O)c2F)c(Br)c1 169744699 AMLHBEAGZRHLDC-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccnc2)sc2c1CCCC2 4210507 AFWOXANZPMKDDC-KEBDBYFISA-N 353.407 1.982 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 18173269 QVEZYIHSKGTSLZ-SILNSSARSA-N 352.350 1.125 50 50 FDGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1ccncc1 6825610 CXAVHJYIGMUWCQ-UHFFFAOYSA-N 350.425 1.870 50 50 FDGA O=Cc1c(OCc2noc(-c3ccc(Cl)cc3)n2)cccc1B(O)O 2325825995 LBNFSFCBARXEME-UHFFFAOYSA-N 358.546 1.461 50 50 FDGA Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 941172 HECBUOOXYFXDGF-KRWDZBQOSA-N 356.378 1.670 50 50 FDGA O=C(COc1ccccc1)NNC(=O)c1c(O)c2ccccc2[nH]c1=O 5409282 ZLLGZGCPFCVUDP-UHFFFAOYSA-N 353.334 1.074 50 50 FDGA C[C@H](Cl)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1875376478 YDLZFMQXBBPMLU-WCFLWFBJSA-N 356.854 1.867 50 50 FDGA O=C(Cc1ccccc1[N+](=O)[O-])NNC(=S)Nc1ccc2c(c1)OCO2 6633631 IUSJVYSFEWVFBN-UHFFFAOYSA-N 374.378 1.884 50 50 FDGA CCNC(NCC)=C(C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 170602618 SFNJQOHBAQAFKE-UHFFFAOYSA-N 351.476 1.523 50 50 FDGA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)OC(=O)[C@@H]12 100693905 IQWDOEXTRZOIDG-JUVWJLFHSA-N 361.992 1.963 50 50 FDGA CO/C(=C/c1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 253432576 LGYBAGMOWLLMKK-GZTJUZNOSA-N 354.362 1.906 50 50 FDGA COc1cc(/C=N/NC(=O)Cc2cccn2C)cc(OC)c1OC(C)=O 2506223 CHNCPXORWFRAAZ-YBFXNURJSA-N 359.382 1.660 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2oc3ccccc3c2C)C1 2325889473 SGCFBHJJXZBKSV-ZDUSSCGKSA-N 355.394 1.927 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1OC 4721558 NKEKFCLOIDMSSV-RNZWIAKZSA-N 367.405 1.684 50 50 FDGA CCc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)s1 13321155 BDMYVLRWSSPHMU-HMHNVIDESA-N 357.501 1.822 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNc2cccc3c2OC(F)(F)O3)CC1 1875267947 OEXALHMWYCUTDO-UHFFFAOYSA-N 353.325 1.876 50 50 FDGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 1080089 JAFLQWHWQRSYEK-KRWDZBQOSA-N 352.394 1.992 50 50 FDGA COCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 2853453 YVNLXXVRGODFDJ-LLVKDONJSA-N 370.431 1.202 50 50 FDGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2Cl)cc1 1220128 DMVCRIWYCNUMGA-UHFFFAOYSA-N 367.814 1.922 50 50 FDGA N#CC(=Cc1c[nH]nc1-c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2082933788 VBAFMJVCBNIWTM-OAHLLOKOSA-N 356.407 1.287 50 50 FDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(O)c1 22932183 PAULTJLCXCBRGJ-KGENOOAVSA-N 352.438 1.660 50 50 FDGA COC(=O)[C@H]1C[C@@H](Cl)CN1S(=O)(=O)c1ccc(OC)c(OC)c1 3883201 SQYNEMOHBZLHQW-MWLCHTKSSA-N 363.819 1.247 50 50 FDGA Cc1ccc(CSCC(=O)NNC(=S)NC[C@H]2CCCO2)cc1 6788259 JUQFPWUBRGWMFD-CQSZACIVSA-N 353.513 1.903 50 50 FDGA C[C@H](Cl)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1875364698 QOUVSGGNLSDIDW-STQMWFEESA-N 353.854 1.026 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 18266018 PJKQXRDWKJCSSD-JZJYNLBNSA-N 367.361 1.436 50 50 FDGA Cn1cccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 19849502 ZCHVUCSQXLKSSD-FYJGNVAPSA-N 373.888 1.946 50 50 FDGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)c2cccnc2)CC1=O 2325709753 HJRNSAKZULWUDI-CJNGLKHVSA-N 352.394 1.452 50 50 FDGA C[C@@]1(CBr)Cn2c(nc(=O)c(Br)c2N)S1 1432546 YOOJRLKOEFLMHX-MRVPVSSYSA-N 355.055 1.847 50 50 FDGA NC(=O)NNc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 225746076 CWLWXCJTVLTCEC-UHFFFAOYSA-N 367.456 1.590 50 50 FDGA CC(=O)Nc1cc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)ccc1C 137167985 OXKMJFKXNRVQLW-UHFFFAOYSA-N 351.366 1.947 50 50 FDGA O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1[N+](=O)[O-] 4821465 SENHUYOFHZJFBI-UHFFFAOYSA-N 353.290 1.776 50 50 FDGA NNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 4892973 MYCYYYGAIMVLGH-UHFFFAOYSA-N 352.243 1.384 50 50 FDGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc(OC)c1OC 18115185 WTBZLSXEEUIZGZ-OAHLLOKOSA-N 369.377 1.927 50 50 FDGA COc1cc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)ccc1O 1080084 VKVWJRGMMLMWPA-QGZVFWFLSA-N 354.410 1.978 50 50 FDGA COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 2074763 JXYHCJMZBZTZGS-INIZCTEOSA-N 358.350 1.687 50 50 FDGA O=C1CC(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)=NN1 102302384 PADOKJRWHFDGFT-UDWIEESQSA-N 350.378 1.982 50 50 FDGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccncc1 19371352 QYIZBMIHQMWEEQ-OQKWZONESA-N 351.454 1.740 50 50 FDGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1 2082929091 VHEPAUMSZQSNDT-CQSZACIVSA-N 371.418 1.378 50 50 FDGA O=C(COCC(=O)NN=Cc1ccc(F)cc1)NN=Cc1ccc(F)cc1 12730616 DBMSAJGREJZRAG-UHFFFAOYSA-N 374.347 1.582 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2c(F)cccc2Cl)C1 2325889506 UPGADZZIBSGOIG-SNVBAGLBSA-N 353.781 1.665 50 50 FDGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)[C@H]3CCCS3)ccc21 2325889326 KGDGITAFUDDUFZ-OAHLLOKOSA-N 359.451 1.808 50 50 FDGA IC[C@@H]1CO[C@@H](CI)CO1 4995772 UJGCDSJISZRBPO-OLQVQODUSA-N 367.952 1.640 50 50 FDGA in-vitro COc1cc(/C=N/NC(=O)C[S@@](=O)Cn2cc(Cl)cn2)ccc1O 6490553 IPHDDTLESHQYQA-CVQBQVEASA-N 370.818 1.107 50 50 FDGA CCc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1 13320590 QFHHRKDZGZMNNC-YAJBTMAUSA-N 351.472 1.761 50 50 FDGA COc1cccc(O[C@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 17073195 AKWRKOQPHAHTNS-RISCZKNCSA-N 353.444 1.137 50 50 FDGA CCOC(=O)CC1=C[C@](C)(CC(=O)OCC)C(C#N)(C#N)C(N)=C1C#N 3899596 JHMKMQFKWGEFCT-QGZVFWFLSA-N 356.382 1.609 50 50 FDGA CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 38175614 JGBFKRKZHHMBIQ-VCHYOVAHSA-N 356.338 1.952 50 50 FDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cc(Br)ccc1O 100557094 YLPHEEFKVAZPJS-PFJSLNBISA-N 367.203 1.507 50 50 FDGA COC(=O)N/N=C(\c1ccc(O)cc1)[C@@H](C)[C@]1(O)C(=O)Nc2ccccc21 5673994 HJXZINHUQWMPQB-KZQGWDOCSA-N 369.377 1.928 50 50 FDGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@]12C(=O)Nc1ccccc12 4624587 XBYCLUWLOREKRP-OAQYLSRUSA-N 370.368 1.901 50 50 FDGA Cc1cc(Br)ccc1NC(=O)c1cc(F)cc(B(O)O)c1 169744184 VHZPIJXJGIYYHE-UHFFFAOYSA-N 351.968 1.829 50 50 FDGA COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1B(O)O 195264066 AKNGHUAJAODDJA-FNORWQNLSA-N 372.182 1.297 50 50 FDGA in-vivo COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 2530136 FXXMYVGYNBZRTK-VXLYETTFSA-N 371.349 1.247 50 50 FDGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nn(CCO)c(N)c1C#N 5018832 VUSICOZVLDGUPN-BJMVGYQFSA-N 358.745 1.955 50 50 FDGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(OC)c1OC(C)=O 1025772 OANIVTCYDQILSF-HNNXBMFYSA-N 370.365 1.879 50 50 FDGA COC(=O)c1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1 2562175 PPOXBUKRUJAWNE-UHFFFAOYSA-N 359.407 1.870 50 50 FDGA Cl[C@@H]1C[C@@H]1CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 2325800929 NKAACOHPZKUTIP-RBSFLKMASA-N 351.882 1.499 50 50 FDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(=O)Nc1ccccc1 4329687 CDXLOBKEGZECLO-YBFXNURJSA-N 357.366 1.801 50 50 FDGA C/C(=N\NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 4989878 PFOVCOGXVCBCOG-RSZPVBOMSA-N 353.378 1.483 50 50 FDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC[C@H]1C(=O)NN=C1C 100334375 BHCITJCRJIVETE-KBSHCFNASA-N 362.386 1.065 50 50 FDGA COc1cc(OC)c(/C=N/NC(=O)Cn2nnc3ccccc32)c(OC)c1 5675296 LLTXVZWCJPBOGZ-VXLYETTFSA-N 369.381 1.607 50 50 FDGA COCCNC(=S)NNC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl 2853989 PHDDIPNIBLSOEE-QMMMGPOBSA-N 366.270 1.902 50 50 FDGA Cn1nccc1/C=N/NC(=O)c1ccccc1I 652372 KIESJESZZAUMGI-RIYZIHGNSA-N 354.151 1.789 50 50 FDGA CCn1ncc(NC(=S)NNC(=O)c2c(Cl)c(C)nn2C)c1C 2802252 YBYTUOLDQJNVRN-UHFFFAOYSA-N 355.855 1.538 50 50 FDGA NNC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3Cc4c([nH]c5ccccc45)C[C@H]3C[C@H]21 245239142 FSQRVRPQXUTOFA-OCNBCVBRSA-N 354.454 1.292 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 726147 CWEDSANIEIYMDC-STQMWFEESA-N 365.342 1.012 50 50 FDGA CCCc1[nH]nc2c1[C@@H](c1cccc(OCC(N)=O)c1)C(C#N)=C(N)O2 5130110 GXOQAHBHLPGHOR-HNNXBMFYSA-N 353.382 1.444 50 50 FDGA Cc1ccccc1CSCC(=O)NNC(=S)NC[C@@H]1CCCO1 2856097 ALHSRWGYMUNWBV-AWEZNQCLSA-N 353.513 1.903 50 50 FDGA Cc1cccc(NC(=O)NNC(=O)c2nn(C)cc2Br)c1 667568 BYTQBRVGEIBZDR-UHFFFAOYSA-N 352.192 1.958 50 50 FDGA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 170610220 CNEGICKNIVEAKM-QZTJIDSGSA-N 351.406 1.537 50 50 FDGA COc1ccc(/C=N/NC(=O)C2CCN(c3nonc3N)CC2)cc1OC 720372 XYHIARSKKLKCCR-VXLYETTFSA-N 374.401 1.036 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1 37866790 AYUSPYNCLXWWIS-CIAFOILYSA-N 354.366 1.025 50 50 FDGA CN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21 18115267 VHHJEJFZLMZYMU-AQTBWJFISA-N 359.183 1.955 50 50 FDGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F 2770107 MVFSCNAKGMPUKJ-KCJUWKMLSA-N 361.650 1.977 50 50 FDGA O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccn1 32625350 XFMVPHSRUAFUSX-UNOMPAQXSA-N 355.354 1.590 50 50 FDGA Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)c1cc(O)c(O)c(O)c1 17074463 KMGTWORRYKTJGG-UHFFFAOYSA-N 361.741 1.851 50 50 FDGA CO[C@H](C)CS(=O)(=O)NNC(=O)c1ccc(COc2ccccc2)o1 170617727 DYBWOCATWKXLAO-GFCCVEGCSA-N 368.411 1.458 50 50 FDGA COc1ccc(NC(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 1398971 SNWDDBIJRGMVRU-OAHLLOKOSA-N 355.354 1.436 50 50 FDGA CCN(CC)c1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc1 2858018 OGWYSMGKULYIFV-OAHLLOKOSA-N 350.488 1.821 50 50 FDGA COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2859663 IMSFIYLTPODINK-UHFFFAOYSA-N 374.378 1.553 50 50 FDGA CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 864096715 CGKWKHPRPGLFMG-UHFFFAOYSA-N 367.210 1.539 50 50 FDGA COc1cccc(/C=N/NC(=O)CS(=O)(=O)Cn2cc(Cl)cn2)c1 2808672 PWGGQEWNUQSDPB-OMCISZLKSA-N 370.818 1.068 50 50 FDGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3O)[C@@H]2C(=O)N1Cc1ccccc1 245256152 ODNUEARIKRPROV-PRFQISJJSA-N 350.212 1.562 50 50 FDGA C[C@@H](Cl)C(=O)N1C[C@H](C(=O)N2CCN(C)CC2)Oc2ccccc21 1875363925 DPKRHFLZITWOBC-IUODEOHRSA-N 351.834 1.182 50 50 FDGA CCn1c(=O)c(C(=O)NNC(=O)Cc2ccccc2)c(O)c2ccccc21 100551261 RTHSCWTXGLEJAP-UHFFFAOYSA-N 365.389 1.731 50 50 FDGA COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 22930914 QQIVBXRWKHVREW-PXLXIMEGSA-N 366.465 1.963 50 50 FDGA COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 778242 BCOABUKZGBDPTC-UKTHLTGXSA-N 357.391 1.888 50 50 FDGA COc1ccc(/C=N\NC(=O)CC(=O)N/N=C/c2ccc(OC)cc2)cc1 31723643 PSLFJXMSWPLIPH-AYRZQKSOSA-N 368.393 1.694 50 50 FDGA O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)[C@@H]1Cc2ccccc2O1 789750695 CLJSYWNSFOYLLX-YJBOKZPZSA-N 352.390 1.963 50 50 FDGA CCN(CC)C(=O)C(=O)N/N=C/c1cc(Br)ccc1OC 2892462 PLQMCHXVUWJPEP-CXUHLZMHSA-N 356.220 1.776 50 50 FDGA O=C(N/N=C/c1cc(=O)[nH]c(=O)[nH]1)[C@H]1CC1(c1ccccc1)c1ccccc1 1505309 QMYGTFCOQZOMGE-NEIHUHTASA-N 374.400 1.520 50 50 FDGA COc1nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)ncc1Br 1875364416 QLIIINORTHNMHE-MRVPVSSYSA-N 363.643 1.524 50 50 FDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 754555 LBQRDZHZLQWXOJ-HNNXBMFYSA-N 373.321 1.968 50 50 FDGA CC[C@H](Br)C(=O)NCCNC(=O)[C@@H](Br)CC 3122781 ZLCVERVTANFFLI-YUMQZZPRSA-N 358.074 1.566 50 50 FDGA Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 239212638 TVWVBTKSFTUENS-NJNCZSALSA-N 372.421 1.741 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 2587837 CWEDSANIEIYMDC-QWHCGFSZSA-N 365.342 1.012 50 50 FDGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCO 4453935 RVROXYRPFRRZGX-MRXNPFEDSA-N 356.382 1.706 50 50 FDGA COc1cc([C@@H]2[C@@]3(C#N)C(=N)NC(=C(C#N)C#N)[C@@]23C#N)cc(OC)c1OC 253471738 YNFJPQXKUNZAME-IPELMVKDSA-N 374.360 1.711 50 50 FDGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 1226375 GKLIPLBJOGUXHG-AOVQIXHVSA-N 373.321 1.599 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 2901958 BQBOBBDNSVNMNJ-YBFXNURJSA-N 357.366 1.801 50 50 FDGA Cc1ccc([N+](=O)[O-])c(NC(=O)C(=O)NNC(=O)c2ccncc2)c1C 5682263 KACLWIWHDBIFOC-UHFFFAOYSA-N 357.326 1.006 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c(O)c1 32614417 ONLHZJYNVOZZCA-DIQHMAESSA-N 353.378 1.381 50 50 FDGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccncc1 4327365 GLCGGJKWBVTTQF-DJKKODMXSA-N 361.199 1.724 50 50 FDGA Cc1nsc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2325819787 PYGZGLSAWKCPDO-MFKMUULPSA-N 373.438 1.217 50 50 FDGA CCN(CC)c1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)c(O)c1 100188149 JBHIQJDPIOIVTJ-BKQORJHRSA-N 359.430 1.591 50 50 FDGA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NNC(=O)c1cccs1 229652797 FNFGTENXMBVLNQ-OUJBWJOFSA-N 368.484 1.235 50 50 FDGA Cc1ccccc1CSCC(=O)NNC(=S)NC[C@H]1CCCO1 2856096 ALHSRWGYMUNWBV-CQSZACIVSA-N 353.513 1.903 50 50 FDGA C[C@H](Oc1ccc(F)cc1F)C(=O)NNC(=S)NC[C@@H]1CCCO1 2851039 WJKOSFMUFKSVNQ-ONGXEEELSA-N 359.398 1.406 50 50 FDGA O=C(N/N=C/c1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1204993 LDDALLKZVSGELW-UOEVCUDDSA-N 372.450 1.633 50 50 FDGA O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(B(O)O)cc1 169808960 SZIKGKUJHXEEAH-UHFFFAOYSA-N 361.106 1.066 50 50 FDGA ICCOCCOCCI 4529595 BCAGFJXMCZSAHD-UHFFFAOYSA-N 369.968 1.890 50 50 FDGA in-vitro CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(Br)cc1 102306480 OAIDLSJRFOINRQ-GGNJANJASA-N 351.204 1.801 50 50 FDGA COc1cc(/C=N/NC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O 1029626 IGJOUGNKARVEMY-VNIJRHKQSA-N 358.354 1.782 50 50 FDGA O=C(CC(=O)Nc1ccccc1C(=O)O)NNC(=O)Cc1ccccc1 2193364 NSQXVKURLHRUPG-UHFFFAOYSA-N 355.350 1.104 50 50 FDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2coc3ccccc3c2=O)c1 4229721 DPFUQAZLXBZSQA-LSHDLFTRSA-N 363.373 1.982 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 726148 CWEDSANIEIYMDC-OLZOCXBDSA-N 365.342 1.012 50 50 FDGA CCOc1ccc([C@@H]2C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)cc1 1386751 RMFZSURRGKWMQQ-MRXNPFEDSA-N 372.377 1.883 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/C(Cl)=C(/Cl)C(=O)O)cc1 2154785 QFDZZSKHAYVCKG-KISVTOQESA-N 374.180 1.900 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 1875371489 CRMQMVFVESNQOX-CYBMUJFWSA-N 354.410 1.282 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1OC 2571656 YLIFUKIQGXRYDA-UFFVCSGVSA-N 359.357 1.723 50 50 FDGA Cl[C@@H]1C[C@@H]1CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 2325800928 NKAACOHPZKUTIP-QLFBSQMISA-N 351.882 1.499 50 50 FDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c(OC)c1OC 18284414 AVKHANSVJNOFPG-AWEZNQCLSA-N 369.377 1.927 50 50 FDGA CO[Si](CCCN(C)CCC[Si](OC)(OC)OC)(OC)OC 170153302 WTXITWGJFPAEIU-UHFFFAOYSA-N 355.580 1.455 50 50 FDGA COc1cc([C@@H]2[C@@]3(C#N)C(=N)NC(=C(C#N)C#N)[C@]23C#N)cc(OC)c1OC 253471743 YNFJPQXKUNZAME-SNRMKQJTSA-N 374.360 1.711 50 50 FDGA O=C(Nc1ccc(Br)cc1F)c1ccc(F)c(B(O)O)c1 169744218 MIXAWVDDYDZRNG-UHFFFAOYSA-N 355.931 1.659 50 50 FDGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)N1CCCC1 2892337 YXFQZIZETNXOLZ-CXUHLZMHSA-N 354.204 1.530 50 50 FDGA O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccnnc2)ccc1F 888109046 WYMCVPPNOFFNGE-UHFFFAOYSA-N 372.381 1.906 50 50 FDGA C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325754955 ODFHRBFYDVCZSK-CLWVCHIJSA-N 359.426 1.169 50 50 FDGA NNC(=O)Cc1nnc(NC(=O)c2ccc(Br)cc2)s1 22782454 NULOJSPOTPVLPS-UHFFFAOYSA-N 356.205 1.085 50 50 FDGA O=C(CO)N/N=C/c1cc(Br)cc(Br)c1O 1225233 IODNVZWWTNMTKB-KGVSQERTSA-N 351.982 1.360 50 50 FDGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(Br)c1 686999 WQOWNWXAIWRZLP-NTUHNPAUSA-N 368.151 1.150 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4347388 FCKXXBPOKOKTLG-VXLYETTFSA-N 371.349 1.247 50 50 FDGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cccnc2)C(C#N)=C(N)O1 808822 XRRDWHLWBRCGAX-HNNXBMFYSA-N 357.366 1.660 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(F)c2)cc1OC 2553798 HAQRASWILWYBIS-UFFVCSGVSA-N 359.357 1.723 50 50 FDGA C=CCc1cccc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)c1O 55525157 GXVXMDRJBVBVJK-GRSHGNNSSA-N 350.382 1.939 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 1922196 DFGQZLRIRIVPAE-SRZZPIQSSA-N 371.393 1.593 50 50 FDGA biogenic CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)NN 12859619 DNIWNXWOSLJJSB-AXFHLTTASA-N 359.304 1.059 50 50 FDGA Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCNC2=O)c(C)n1C[C@H]1CCCO1 254480585 YHNDWWZXMKWXHS-RRBNNULLSA-N 370.453 1.586 50 50 FDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccccc1O 22109359 VPOFFCAWPSKAPK-STZFKDTASA-N 352.438 1.660 50 50 FDGA COc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(C(=O)O)cc1 2840016 XQIOBTZAIFSLGF-KEBDBYFISA-N 355.350 1.274 50 50 FDGA biogenic CCOc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 4721512 XWAJJDDSZSEJQC-FNJSCOMMSA-N 367.405 1.771 50 50 FDGA Cc1c(CBr)n2c(CBr)c(C)c(=O)n2c1=O 1610869 OSIYFMVMZXJKSP-UHFFFAOYSA-N 350.010 1.604 50 50 FDGA in-vitro Cc1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C 839119 GUIBZNYTRKYVMJ-KRWDZBQOSA-N 356.378 1.670 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 1875371490 CRMQMVFVESNQOX-ZDUSSCGKSA-N 354.410 1.282 50 50 FDGA CS(=O)(=O)N1CCC(Nc2cc(F)cc(NC(=O)CCl)c2)CC1 1875375173 TUNXOQWPHCWGNK-UHFFFAOYSA-N 363.842 1.839 50 50 FDGA COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 2074764 JXYHCJMZBZTZGS-MRXNPFEDSA-N 358.350 1.687 50 50 FDGA CC(C)(O)C(=O)NNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 170606052 NLJLABQBQDYQEC-UHFFFAOYSA-N 362.411 1.924 50 50 FDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 6584480 IXABCSWPWYXPGF-UHFFFAOYSA-N 370.321 1.455 50 50 FDGA C[C@@](Br)(CBr)C(=O)N[C@H](O)C(Cl)Cl 101361193 SUNXSRHYNPBJGX-INEUFUBQSA-N 357.857 1.773 50 50 FDGA CCOC(=O)[C@@H]1[C@@H](C(=O)NN)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4348079 DNIWNXWOSLJJSB-VWYCJHECSA-N 359.304 1.059 50 50 FDGA COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1C 9087416 PIKRWIFIYZWFTC-UONOGXRCSA-N 359.407 1.792 50 50 FDGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CC1=O 2325755585 QFVHPBUSDIWDBU-FYNNLBNCSA-N 371.437 1.311 50 50 FDGA Cn1nccc1/C=N/NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 1005653 QPJCZQGNFYVGMW-LICLKQGHSA-N 353.342 1.337 50 50 FDGA C[C@@](Br)(CBr)C(=O)N[C@@H](O)C(Cl)Cl 101361200 SUNXSRHYNPBJGX-UJURSFKZSA-N 357.857 1.773 50 50 FDGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)n1 2506228 XVZZWSQIHKALCV-QGMBQPNBSA-N 374.422 1.799 50 50 FDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C(\C)c1ccc(Br)cc1 100064609 VQTYVBHXKUSRCG-WIJRQFRKSA-N 351.204 1.801 50 50 FDGA COCCCNC(=S)NNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 2853452 YVNLXXVRGODFDJ-NSHDSACASA-N 370.431 1.202 50 50 FDGA N#CC1=C(N)Oc2[nH]nc(-c3cccnc3)c2[C@@]12C(=O)Nc1ccccc12 711577 SWTODQDSBCYBRW-IBGZPJMESA-N 356.345 1.796 50 50 FDGA CSc1cc(NNC(=O)Cn2cc(Br)ccc2=O)ncn1 242147525 WSKRYYPOERGNON-UHFFFAOYSA-N 370.232 1.266 50 50 FDGA CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1 1529360 IAPXDJMULQXGDD-NSHDSACASA-N 353.331 1.269 50 50 FDGA in-vitro COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 4652422 WURLWQQUUAXUNI-KCJUWKMLSA-N 370.667 1.607 50 50 FDGA Cc1ccc([C@@]23C[C@@H]2CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C3)cc1 2325779202 ODYOXDJKGIISBQ-KNQAVFIVSA-N 374.444 1.901 50 50 FDGA CCOC(=O)C1=C(C)N/C(=C\C(C#N)=C(/N)NCc2ccccc2)C1=O 100648398 LLPYRAAKEKHWNH-SOUBVSJWSA-N 352.394 1.363 50 50 FDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1 4229716 QBIIBAUNXLGRGW-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA O=C(CSc1ncn[nH]1)NNC(=O)c1ccc(Br)cc1 11340762 MDACZSBMBLGTIF-UHFFFAOYSA-N 356.205 1.121 50 50 FDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cn1nnc2ccccc21 844784 QRXNLRCRHQRXKE-VXLYETTFSA-N 369.381 1.607 50 50 FDGA Cc1cccc(C(=O)NNC(=O)N2CCC(c3nccc(C)n3)CC2)n1 373491980 ACOOWBUZJDSKQG-UHFFFAOYSA-N 354.414 1.722 50 50 FDGA O=C(NNC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 4017453 CNLDZYBZPRZPGB-UHFFFAOYSA-N 358.467 1.934 50 50 FDGA O=C(NCc1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239302603 FLYVDBOGXBTOMP-KJKVDNPUSA-N 350.212 1.874 50 50 FDGA O=C(O)COc1ccccc1/C=N/NC(=O)Cn1cnc2ccccc21 13940562 SYYXAWRBGGVRCB-AWQFTUOYSA-N 352.350 1.650 50 50 FDGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)N1CCCCC1 2892381 OCNVANOGSPDKRX-LICLKQGHSA-N 368.231 1.920 50 50 FDGA COc1c(O)ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 12364055 PUMQDPRFMVLRPU-IDUWFGFVSA-N 359.294 1.802 50 50 FDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1O 2894399 FTWWDNMFVMTHHF-DNTJNYDQSA-N 371.349 1.010 50 50 FDGA N#CC1=C(N)N=C(N2CCSCC2)[C@@]1(C#N)CC(=O)c1ccccc1 1848444143 QEICEZIFJJQVDC-GOSISDBHSA-N 351.435 1.924 50 50 FDGA CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1 2539204 HJMMCTZLXOVMFB-LBPRGKRZSA-N 367.358 1.659 50 50 FDGA in-vitro O=C(COCC(=O)NN=Cc1cccs1)NN=Cc1cccs1 244884279 YIVDPJBVBNYJQU-UHFFFAOYSA-N 350.425 1.427 50 50 FDGA O=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1 1920951 QTBOBEGGKQGYHW-KEBDBYFISA-N 355.350 1.030 50 50 FDGA CCC[C@H](NC(C)C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 225581706 VASHVFGIEKCYPD-INIZCTEOSA-N 368.503 1.737 50 50 FDGA COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccco2)cc1OC 5015702 YLSYTGVOZKCHTD-UDWIEESQSA-N 359.382 1.496 50 50 FDGA N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1c(Cl)cccc1Cl 634317 QGTYVTZKBLECGF-MRVPVSSYSA-N 351.149 1.588 50 50 FDGA COc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1[N+](=O)[O-] 38139322 BLXLSHRKEYFHJJ-RGVLZGJSSA-N 371.353 1.155 50 50 FDGA COc1cc(NC(=O)NNC(=O)c2ccccc2O)cc(OC)c1OC 2143561 JGTGURAFZRHBBN-UHFFFAOYSA-N 361.354 1.885 50 50 FDGA COc1c(O)ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] 1226643 JXUZXWITVHQLAM-GHIJENOOSA-N 373.321 1.599 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(F)cc2Cl)C1 2325889366 MSGZEXSBBGEIIU-JTQLQIEISA-N 353.781 1.665 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 43761027 IKGVWGXMSLHMGF-SRZZPIQSSA-N 353.378 1.662 50 50 FDGA O=C(O)COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 2532101 HVJRSQYNZISFOJ-ZVBGSRNCSA-N 373.340 1.169 50 50 FDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21 1920683 ZMBVIGBDBDBTNM-XLNRJJMWSA-N 362.389 1.987 50 50 FDGA O=C(CNC(=O)N1CCCC1)NNC(=O)Nc1cccc2ccccc12 2143414 XZHBHMVVDPWQAK-UHFFFAOYSA-N 355.398 1.798 50 50 FDGA C=CC(=O)N1CCC(C(=O)NN=c2[nH]c3ccccc3[nH]c2=S)CC1 1875268727 DXRWAHCGBVSGKM-UHFFFAOYSA-N 357.439 1.582 50 50 FDGA COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2901134 FAPWZTPRHJNDQD-RGVLZGJSSA-N 357.366 1.176 50 50 FDGA CCn1ncc(NC(=S)NNC(=O)Cn2nc(C)c(Cl)c2C)c1C 2802141 MVYZCIDUFYKOFA-UHFFFAOYSA-N 369.882 1.696 50 50 FDGA COc1ccc(NC(=S)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 13468964 NAHCNUXZZLEXRK-UHFFFAOYSA-N 364.387 1.277 50 50 FDGA O=C(NCc1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239302607 FLYVDBOGXBTOMP-UQPQVDFHSA-N 350.212 1.874 50 50 FDGA O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1cccc2cnccc12 170684248 FPFABKHCVONVRX-UHFFFAOYSA-N 353.382 1.543 50 50 FDGA CCOc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1OC 4591822 BMNFTPZJLMTJRE-YBFXNURJSA-N 353.382 1.989 50 50 FDGA CN1CCN(C(=O)NNC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 225700530 WSCFSBXMVFIPPR-QGZVFWFLSA-N 359.474 1.029 50 50 FDGA Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(F)cc2)c1[N+](=O)[O-] 8671851 WUSIWCPLHOMLPS-UHFFFAOYSA-N 352.351 1.407 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NN=c2[nH]c3ccccc3[nH]c2=S)C1 1875302698 COWYTEIWRNLHNL-LLVKDONJSA-N 357.439 1.582 50 50 FDGA O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1F 13623180 IQWUEKHWPSYXHG-AWEZNQCLSA-N 355.369 1.635 50 50 FDGA CCOC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)OCBr 4530173 YEUADJZUVZQCBW-LFIBNONCSA-N 359.176 1.922 50 50 FDGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 1080090 JAFLQWHWQRSYEK-QGZVFWFLSA-N 352.394 1.992 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)C1 1875371460 BLFNEOJSZLHNHL-AWEZNQCLSA-N 367.409 1.058 50 50 FDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccccc2C)c2ccccc21 3211358 JNWUKNCRFODRQI-XLNRJJMWSA-N 362.389 1.987 50 50 FDGA Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O 195758551 QAPSNMNOIOSXSQ-YNEHKIRRSA-N 356.495 1.515 50 50 FDGA in-vitro C[C@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)[C@H]2CCCS2)CC1=O 2325754369 AOXLZDOXFSPTBA-BPLDGKMQSA-N 361.467 1.639 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1 867663 NDSPFHSLLJFYBE-YBFXNURJSA-N 351.366 1.966 50 50 FDGA N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778240 VIYDJORIKGLHBK-KPKJPENVSA-N 371.374 1.608 50 50 FDGA Cc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 4992243 RHRYTBKYCJVTHM-UHFFFAOYSA-N 361.785 1.813 50 50 FDGA CC(=O)NNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)OC(C)(C)C)CC1 888096571 AQWPCCUBILFCPY-OAHLLOKOSA-N 368.478 1.265 50 50 FDGA Cc1ccc(S(=O)(=O)/C(=N\Nc2ccc(Cl)cc2)C(=O)NN)cc1 22204031 JGLSRMXKAMNDKF-HKWRFOASSA-N 366.830 1.838 50 50 FDGA NNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 5073739 SRJBNSVDWWGWTM-RTLPCREESA-N 372.425 1.900 50 50 FDGA CCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 17075458 YRLTWDFVBRABPL-GYZOOYGHSA-N 367.471 1.597 50 50 FDGA O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCC[C@H]2OCC[C@@H]12 761788784 DVIYEYSRHYYVSY-BFHYXJOUSA-N 371.397 1.237 50 50 FDGA N#CC1=C(N)N=C(N2CCSCC2)[C@]1(C#N)CC(=O)c1ccccc1 1848444144 QEICEZIFJJQVDC-SFHVURJKSA-N 351.435 1.924 50 50 FDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cn2cncn2)cs1 4727529 ZGRMLGXPWOITGP-CQSZACIVSA-N 357.395 1.643 50 50 FDGA COc1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1OC 1297904 VRPZOVPNDPJNCF-XDHOZWIPSA-N 353.382 1.989 50 50 FDGA N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](Br)[C@@]2(O)C[C@]1(C#N)C(=O)N2 245312045 RZIYULXBHNHLCK-LMWOUKEDSA-N 371.194 1.299 50 50 FDGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F 2770110 MVFSCNAKGMPUKJ-GZMMTYOYSA-N 361.650 1.977 50 50 FDGA O=C(COc1ccc2c(c1)OCO2)NNC(=S)Nc1ccccc1F 17074711 KSCMRTWCYVFGIJ-UHFFFAOYSA-N 363.370 1.951 50 50 FDGA COc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 2896094 FGFRVEPTBLVKNV-KEBDBYFISA-N 355.350 1.274 50 50 FDGA COc1cc(/C=N\NC(=O)c2cc(O)cc(O)c2)c([N+](=O)[O-])cc1OC 16134184 RURQMSAQIRWKFO-IUXPMGMMSA-N 361.310 1.787 50 50 FDGA COc1cccc(O[C@@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 17073194 AKWRKOQPHAHTNS-FZMZJTMJSA-N 353.444 1.137 50 50 FDGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F 2770109 MVFSCNAKGMPUKJ-KWQFWETISA-N 361.650 1.977 50 50 FDGA CC(C)[C@H](Br)C(=O)NNC(=O)[C@]1(C)C[C@H]1Br 239306087 GJWQREDBFAOCSH-MATHAZKKSA-N 356.058 1.727 50 50 FDGA COc1ccc(CCNC(=S)NNC(=O)c2cccnc2)cc1OC 2857122 GSRWYNAEOKRGBS-UHFFFAOYSA-N 360.439 1.450 50 50 FDGA COC(=O)N[C@H](O[C@@H](NC(=O)OC)C(Cl)Cl)C(Cl)Cl 3121693 WSCOFZYKOHIYHJ-PHDIDXHHSA-N 358.005 1.975 50 50 FDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc2ccccc2[nH]c1=O 2520036 DLAMXEYIWZDFKL-VXLYETTFSA-N 366.333 1.965 50 50 FDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)CCc2ccccc2)cc1 2895278 DQINJDNWQDVGIS-HYARGMPZSA-N 352.438 1.952 50 50 FDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(Cl)cc2)C1 13320762 MEEJCBUBNMJNMF-VZWMTCDZSA-N 357.863 1.852 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 38163338 ZZERMMFKWWPMNG-VCHYOVAHSA-N 372.337 1.788 50 50 FDGA C[C@@H](Cc1ccccc1)NNC(=O)C(=O)NN[C@@H](C)Cc1ccccc1 2021028 SCVRDZXGXDYFOR-HOTGVXAUSA-N 354.454 1.490 50 50 FDGA Cc1cccc(C(=O)NNC(=O)N2CCc3nc(C(C)(C)C)ncc3C2)n1 858411858 ORQGTHOOYFBRJU-UHFFFAOYSA-N 368.441 1.890 50 50 FDGA Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)CCl)cc21 334163433 RXNWOMPUUJHIKS-UHFFFAOYSA-N 364.833 1.405 50 50 FDGA COc1ccc(C(C)=NNC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1 245256105 NSEUMBUREKJUGU-UHFFFAOYSA-N 368.397 1.912 50 50 FDGA CN(c1cc(C(=O)NN=c2ccc3nncn3[nH]2)ccn1)C1CCCC1 1875264691 CCWFCNGBEDMKFB-UHFFFAOYSA-N 352.402 1.077 50 50 FDGA Cc1[nH]nc2c1[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2ccc(Br)cc21 1076895 YNJZNFGRXKPEAU-HNNXBMFYSA-N 372.182 1.805 50 50 FDGA CCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccnc3)cc2C1=O 1116200 JESHJDQZNLRMKB-UHFFFAOYSA-N 352.350 1.162 50 50 FDGA O=C1NCC2(CCN(C(=O)NNC(=O)c3c(F)cccc3Cl)CC2)O1 952876037 GFFGEOWNLPYLNM-UHFFFAOYSA-N 370.768 1.408 50 50 FDGA CC[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](CC)CO1 404054134 KKNJJVBCOHYCEP-NEPJUHHUSA-N 365.448 1.923 50 50 FDGA Cc1ccc(NC(=O)NCC(=O)NNC(=S)Nc2ccccc2)nc1 2172410 QDFKQGVHBLTQRM-UHFFFAOYSA-N 358.427 1.529 50 50 FDGA CCOC(=O)CC1=C[C@@](C)(CC(=O)OCC)C(C#N)(C#N)C(N)=C1C#N 3899595 JHMKMQFKWGEFCT-KRWDZBQOSA-N 356.382 1.609 50 50 FDGA O=C(O)CCSSCCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 1875388722 NTQZSLPGSVEQRW-GFCCVEGCSA-N 372.468 1.835 50 50 FDGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2 3032080 UUWXORRKZLWBNF-DNTJNYDQSA-N 359.769 1.949 50 50 FDGA COCCNC(=S)NNC(=O)CCCOc1ccc(Cl)cc1C 5042040 UDDLWQOOIMWQSK-UHFFFAOYSA-N 359.879 1.949 50 50 FDGA Cc1ccccc1C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 939548 XTNHUJKSHXOVRN-LBPRGKRZSA-N 351.362 1.441 50 50 FDGA CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(NC(=O)C2CC2)c1 170610612 LGZYRERWFHTSHZ-UHFFFAOYSA-N 363.414 1.585 50 50 FDGA Cc1ccc([C@]23C[C@H]2CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C3)cc1 2325778765 ODYOXDJKGIISBQ-SIKLNZKXSA-N 374.444 1.901 50 50 FDGA COc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)cc1 1684668 NDZINXKJEVQGNJ-AYKLPDECSA-N 354.366 1.304 50 50 FDGA C[C@@H](Cl)C(=O)NCCOC1(CNC(=O)OC(C)(C)C)CCOCC1 1875376480 YIFYNFRUNOSGCX-GFCCVEGCSA-N 364.870 1.820 50 50 FDGA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)NNC(=O)c1nn(C)c3ccccc13)C2 2325790984 DPGPSAVQQUIKQV-YPMHNXCESA-N 366.425 1.663 50 50 FDGA CC(C)(C)OC(=O)NCC1(OCCNC(=O)CCl)CCOCC1 1875377730 MGHQIUOJYNGANA-UHFFFAOYSA-N 350.843 1.432 50 50 FDGA CC(C)(C)OC(=O)CN1CC2(CCN(C(=O)[C@H](F)Cl)CC2)OC1=O 2325898197 WPOHMMTZSUMRIQ-NSHDSACASA-N 364.801 1.676 50 50 FDGA CCc1cc2c(=O)n(CC(=O)NN=Cc3ccccc3O)cnc2s1 238924283 RPOCISAFTYQLDF-UHFFFAOYSA-N 356.407 1.876 50 50 FDGA CC1(C)O[C@@H]2O[C@@H](CI)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 1857790103 JMIGDGVTFPSEMQ-MBXMOIHESA-N 370.183 1.818 50 50 FDGA COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1C 9087415 PIKRWIFIYZWFTC-KGLIPLIRSA-N 359.407 1.792 50 50 FDGA CC(C)(C)OOC(=O)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 101046262 LAYBNBYOXYTONB-ORJXUDIZSA-N 371.227 1.888 50 50 FDGA NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(CCl)c2)cc1 253393948 ZQIYSMJCRZPIHN-UHFFFAOYSA-N 360.844 1.874 50 50 FDGA COc1cc2nc(O)c(C(=O)N/N=C/c3ccncc3)c(O)c2cc1OC 299738247 MPKMEPBNBIJUBB-AWQFTUOYSA-N 368.349 1.822 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1OC 2553680 OSLWZELVMHCKFT-SRZZPIQSSA-N 355.394 1.892 50 50 FDGA Cn1nc(C(=O)NNC(=O)[C@H]2C[C@H]3C[C@@H](O)C[C@H](C3)C2)c2ccccc21 2325807813 UOALXBSNYKBYNM-KPWCQOOUSA-N 356.426 1.522 50 50 FDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 726146 CWEDSANIEIYMDC-CHWSQXEVSA-N 365.342 1.012 50 50 FDGA O=C(NNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@H]1CCOC1 792697187 FVVVKZHQZAGKSO-LURJTMIESA-N 373.645 1.993 50 50 FDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c1OC 43761063 ZLBJHHHHPSSWHA-UFFVCSGVSA-N 359.357 1.723 50 50 FDGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1O 4210774 CHUHLXZUBKEBJI-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNC(=O)c2cccnc2)CC1=O 2325709755 HJRNSAKZULWUDI-XJKSGUPXSA-N 352.394 1.452 50 50 FDGA O=C(CBr)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6527962 SUNUGFLCGPWMJJ-UHFFFAOYSA-N 363.233 1.041 50 50 FDGA Cc1c(Br)c(C(=O)NNC(=S)NCc2ccco2)nn1C 2743852 FCPYESNMWILKDV-UHFFFAOYSA-N 372.248 1.393 50 50 FDGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1n[nH]c2c1CCC2 16431032 VGGBURSINZMNDX-UHFFFAOYSA-N 374.198 1.747 50 50 FDGA COc1ccc(Br)cc1C(=O)NNC(=O)c1cccnc1 1125608 AMJFPLLLEDLRLY-UHFFFAOYSA-N 350.172 1.928 50 50 FDGA CSc1sccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C 22077430 WMAJVUOWKXAJTC-LHHJGKSTSA-N 364.416 1.088 50 50 FDGA COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 35800866 UZMLDJHHBYATEL-RIEVCORGSA-N 373.321 1.599 50 50 FDGA CC(C)(C)OC(=O)COCCOCCOCCOCCBr 214945832 PELYBQFWTCXTNW-UHFFFAOYSA-N 371.268 1.789 50 50 FDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 5196212 QFCLFJNNVJNYHN-MNDPQUGUSA-N 353.334 1.046 50 50 FDGA O=C(O)CN1C(=O)/C(=N\NC(=O)CNc2ccccc2)c2ccccc21 100448180 NGOVGLBNXVEEEN-FXBPSFAMSA-N 352.350 1.050 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NN=c2[nH]c3ccccc3[nH]c2=S)C1 1875302699 COWYTEIWRNLHNL-NSHDSACASA-N 357.439 1.582 50 50 FDGA CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2cc(Br)ccc21 5648795 YHLCWUPHIWEVNR-AQTBWJFISA-N 359.183 1.955 50 50 FDGA Cc1c(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cccc1[N+](=O)[O-] 28355623 OLMIEUZCFCEGOD-UHFFFAOYSA-N 369.293 1.898 50 50 FDGA C[C@H](Cl)C(=O)N1CCC(n2cc(NS(=O)(=O)C(F)F)cn2)CC1 1875377563 HEOJQBYZTOPSFQ-QMMMGPOBSA-N 370.809 1.638 50 50 FDGA COc1ccccc1[Si](O)(c1ccccc1OC)c1ccccc1OC 169818548 PTYWOLOITBSVBN-UHFFFAOYSA-N 366.489 1.672 50 50 FDGA CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1 537733 AYIRNRDRBQJXIF-NXEZZACHSA-N 358.218 1.382 50 50 FDGA biogenic,in-man CC1(C)[C@@H](C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])CC[C@@]1(C)C(=O)O 22204605 VCSXXCVSTYYVHF-DIFFPNOSSA-N 363.370 1.883 50 50 FDGA NNC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 254043966 ACXXOPXBWJSGGQ-PWUYNPNPSA-N 354.454 1.464 50 50 FDGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1nnc(-c2ccccc2)s1 4229751 XFADDDZRKXGUKY-VCHYOVAHSA-N 367.390 2.000 50 50 FDGA CC(=O)Nc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 35830461 HARFNKQWVMOQMC-GIJQJNRQSA-N 372.337 1.788 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2O)cc1 4296353 XEZMPKUCKZRCMB-KEBDBYFISA-N 357.366 1.290 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2OC)cc1 2532863 DYYPASSKUNBMDM-SRZZPIQSSA-N 371.393 1.593 50 50 FDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cc(Br)ccc1F 4625258 OKAOBZBGTBACND-JTQLQIEISA-N 363.146 1.890 50 50 FDGA COc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1O 30791543 PNVSTRHMYMCWLJ-DPGUEWGQSA-N 353.378 1.381 50 50 FDGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 239274690 AOQNHRQWCDISGJ-GADBESIXSA-N 360.410 1.657 50 50 FDGA CN(C)c1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100163911 OGZBCZOOVZHMCW-INIZCTEOSA-N 370.384 1.458 50 50 FDGA COc1ccccc1N/N=C(/C(=O)NN)S(=O)(=O)c1ccc(C)cc1 4952675 KAHVWWAWVCRKLM-SILNSSARSA-N 362.411 1.193 50 50 FDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc2c(c1)OCO2 8103434 DFMOKAHYKFAKGS-UHFFFAOYSA-N 354.278 1.410 50 50 FDGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 2565281 XDBDYTQLSNMYHT-SRZZPIQSSA-N 371.393 1.593 50 50 FDGA O=C(Nc1ccc2c(c1)C(=O)N([C@H]1CCCNC1=O)C2=O)[C@@H](F)Cl 2325901605 MVWPLYQGQIBLCQ-WDEREUQCSA-N 353.737 1.034 50 50 FDGA O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5713760 RCQMZVXAUCXALD-UHFFFAOYSA-N 363.717 1.043 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2cccs2)c2ccccc21 2573355 DAUJPLWERHPNRG-SDXDJHTJSA-N 357.391 1.792 50 50 FDGA Cc1cc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)n[nH]1 38169434 UCSFBHMUZQMKMI-LHHJGKSTSA-N 368.147 1.858 50 50 FDGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 5903163 HMKWZTOJBUCHNB-VCHYOVAHSA-N 367.390 2.000 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1 1104320 IUOVQVDVNOFKCC-XDHOZWIPSA-N 351.366 1.758 50 50 FDGA COc1ccc(COC(=O)C2=C(CCl)CS[C@H]3[C@H](N)C(=O)N23)cc1 96300808 PBKFYMCZYNFVIA-DOMZBBRYSA-N 368.842 1.474 50 50 FDGA in-vitro NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1219487 SZUOQQBQKYSQIC-UHFFFAOYSA-N 367.858 1.563 50 50 FDGA COc1ccc(OC)c(S(=O)(=O)NNC(=O)NC2CCCCC2)c1 2857087 SEFIRAMZNFGWOX-UHFFFAOYSA-N 357.432 1.529 50 50 FDGA O=C1[C@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3Br)[C@H]2C(=O)N1Cc1ccccc1 245256151 ODNUEARIKRPROV-IKKURHKOSA-N 350.212 1.562 50 50 FDGA CCC/C(=N\NC(N)=O)c1cc(OC)c(OC)cc1CC(=O)OCC 5243614 GYAGIQVHADLCQK-CPNJWEJPSA-N 351.403 1.982 50 50 FDGA COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)c(OC)c1OC 1875364344 LQVWTOMIKWBHND-LLVKDONJSA-N 370.833 1.624 50 50 FDGA Cc1ccc(NC(=S)NNC(=O)Cn2ncc3ccccc3c2=O)cc1 1127096 GYFANKIEQZZVAL-UHFFFAOYSA-N 367.434 1.723 50 50 FDGA Cl[C@@H]1C[C@H]1CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 2325800931 NKAACOHPZKUTIP-SOUVJXGZSA-N 351.882 1.499 50 50 FDGA O=S(=O)(CCCl)Cc1ccc(CS(=O)(=O)CCCl)cc1 4831672 LSZMFRZWSZROCS-UHFFFAOYSA-N 359.296 1.994 50 50 FDGA CCOc1ccccc1[C@H]1C(C#N)=C(N)OC(CC(=O)OC)=C1C(=O)OC 4721363 IYPDHMPGTCGVMM-INIZCTEOSA-N 372.377 1.883 50 50 FDGA O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 101929935 JNWDNRBBPAVRMA-SLEUVZQESA-N 371.466 1.080 50 50 FDGA CCN(CC)c1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc1 2858019 OGWYSMGKULYIFV-HNNXBMFYSA-N 350.488 1.821 50 50 FDGA Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)ccc1[N+](=O)[O-] 138288807 HNNQWSUPOFJWKX-TXFQPVFDSA-N 361.354 1.411 50 50 FDGA COC(=O)[C@@H]1C[C@@H](Cl)CN1S(=O)(=O)c1ccc(OC)c(OC)c1 12336275 SQYNEMOHBZLHQW-KOLCDFICSA-N 363.819 1.247 50 50 FDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc[n+]1[O-] 25560577 KMEOFTBMIADCFU-CAOOACKPSA-N 352.253 1.594 50 50 FDGA CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccncc1 100699527 PEUMQBPPVOHRQO-OAHLLOKOSA-N 358.423 1.559 50 50 FDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1O 4210815 PZUAUCIKDIGPMJ-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4355532 OWEFNSKDVHFXIB-VXLYETTFSA-N 355.350 1.547 50 50 FDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)c1 2899665 UPERMVJLLJMDFU-YBFXNURJSA-N 357.366 1.801 50 50 FDGA CCOC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C(=O)CBr 5324682 HDNZPESOSGCXKW-RVDMUPIBSA-N 358.148 1.890 50 50 FDGA COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)O 2305111 NKIQXRNAAANRFA-GUNGLEHYSA-N 360.366 1.361 50 50 FDGA Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(N)=O)c3ccccc32)c1 100302060 GOSYIXOJSIMGJR-PGMHBOJBSA-N 351.366 1.353 50 50 FDGA CCC(C(=O)N/N=C/c1ccc(O)cc1)C(=O)N/N=C/c1ccc(O)cc1 43761292 FZIWCBVOBAEJDP-HGEIODPWSA-N 368.393 1.724 50 50 FDGA C[C@H]1CN(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)C[C@@H](C)O1 863872825 ZMPDUANHHAKWKL-OKILXGFUSA-N 354.215 1.232 50 50 FDGA C[C@@H](Cl)C(=O)N1CCC(n2cc(NS(=O)(=O)C(F)F)cn2)CC1 1875377562 HEOJQBYZTOPSFQ-MRVPVSSYSA-N 370.809 1.638 50 50 FDGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1 2532855 PWUAERKPLYTGAO-LPYMAVHISA-N 365.389 1.587 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2573261 BIXBYKDJKVTKPS-VXLYETTFSA-N 356.338 1.484 50 50 FDGA CCOc1ccc(N2C(=O)C[C@H](NNC(=O)Cc3ccccc3)C2=O)cc1 1078303 PHWUROGDJDFSEG-KRWDZBQOSA-N 367.405 1.581 50 50 FDGA BrCCOCCOCCOCCOCCBr 72399684 VYNNYZUBABMNTB-UHFFFAOYSA-N 364.074 1.843 50 50 FDGA in-vitro CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 5564626 VXKCVTPPIVKSQK-JZJYNLBNSA-N 351.362 1.730 50 50 FDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1O 19800332 VPOFFCAWPSKAPK-KGENOOAVSA-N 352.438 1.660 50 50 FDGA COC(=O)CN1C(=O)/C(=N\NC(=O)CNc2ccccc2)c2ccccc21 2542368 AWWCWISXWJKFQI-PYCFMQQDSA-N 366.377 1.139 50 50 FDGA CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)Cl)c2nonc12 2559335 ZPBKQTOHYMFDLD-VIFPVBQESA-N 358.807 1.207 50 50 FDGA in-vitro CC(C)(C)OC(=O)NCCOCCOCCOCCBr 22052626 GNDQONYTPMGMTM-UHFFFAOYSA-N 356.257 1.956 50 50 FDGA in-vitro Cc1noc(C)c1S(=O)(=O)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384442 PLGWBHZTNUGNJW-CYBMUJFWSA-N 371.846 1.666 50 50 FDGA COc1cc(C(=O)NNC(=S)NCc2ccco2)cc(OC)c1OC 13519851 FQULMXBRNHZCBC-UHFFFAOYSA-N 365.411 1.615 50 50 FDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2cccc(F)c2)c2ccccc21 18265994 ITMXEKHPESZTOK-FXBPSFAMSA-N 369.352 1.870 50 50 FDGA COc1ccc(OC)c(CC(=O)NNc2nc(-c3ccncc3)no2)c1 361466754 ZYPSMQBIQNKJJO-UHFFFAOYSA-N 355.354 1.835 50 50 FDGA O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCC[C@@H]2OCC[C@H]21 761788790 DVIYEYSRHYYVSY-MJBXVCDLSA-N 371.397 1.237 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1O 32614442 BLBDUCQOLMFSHL-SWAZQXEOSA-N 353.378 1.381 50 50 FDGA Cc1cc([N+](=O)[O-])nn1CC(=O)NNC(=S)Nc1ccc(Cl)cc1 8578587 ZEBBNQGZOJIFSD-UHFFFAOYSA-N 368.806 1.771 50 50 FDGA COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1ccc(C(=O)OC)cc1 4530116 ICMLGSIOFHUMPN-UYRXBGFRSA-N 362.382 1.737 50 50 FDGA Cc1ccc(S(=O)(=O)CC(=O)NNC(=S)Nc2ccccc2)cc1 2561976 GTLLDFADFBYNNQ-UHFFFAOYSA-N 363.464 1.787 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1O 32614440 BLBDUCQOLMFSHL-YHQOTEHFSA-N 353.378 1.381 50 50 FDGA Cn1c(NNC(=O)c2cccc(NC(N)=O)c2)nc2ccccc2c1=O 733261772 LLYSYNSKFUMALI-UHFFFAOYSA-N 352.354 1.181 50 50 FDGA Cn1c(=O)[nH]c(=O)c2c1nc(SCCCl)n2Cc1ccccc1 2318429 VPIYNFZJOHWAMW-UHFFFAOYSA-N 350.831 1.803 50 50 FDGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 4229140 OEIHGGMWVRROCI-KEBDBYFISA-N 352.325 1.756 50 50 FDGA Cc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 4992245 GNJXHOGFZVSSNC-UHFFFAOYSA-N 361.785 1.813 50 50 FDGA NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1228289 NGHCZVNDYIFOFT-UHFFFAOYSA-N 370.228 1.853 50 50 FDGA Cc1nn(C)c(NNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1C#N 1875349543 BEZRYCXARHQOFO-PBHICJAKSA-N 366.425 1.653 50 50 FDGA O=C(CCl)N1CCC(n2cc(NS(=O)(=O)C(F)F)cn2)CC1 1875375214 VHEUEXJZIRSRQZ-UHFFFAOYSA-N 356.782 1.250 50 50 FDGA Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 239438986 ZGVGHJUYTKSFHT-PYOKUCOHSA-N 374.437 1.965 50 50 FDGA CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1 2516160 HJMMCTZLXOVMFB-GFCCVEGCSA-N 367.358 1.659 50 50 FDGA in-vitro O=C(Cc1cccc2ccccc12)NNC(=O)CS(=O)(=O)C1CCCC1 120040558 FUPNAIKCWLUFMW-UHFFFAOYSA-N 374.462 1.887 50 50 FDGA Nc1nc(C(F)(F)F)nn1CC(=O)N/N=C1\CCCc2ccccc21 20608514 JCWVQRZKDCGCCA-SRZZPIQSSA-N 352.320 1.736 50 50 FDGA CCOc1cccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 4721509 XWAJJDDSZSEJQC-UKABBSSWSA-N 367.405 1.771 50 50 FDGA Cc1ncsc1C(=O)NNC(=O)N1CCc2nc(C(C)(C)C)ncc2C1 858197113 BVUIYIXJKLKTIZ-UHFFFAOYSA-N 374.470 1.952 50 50 FDGA COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1OC 712254 JTWREOGTSQWISL-XDHOZWIPSA-N 359.382 1.897 50 50 FDGA Cc1nsc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2325819788 PYGZGLSAWKCPDO-ZWNOBZJWSA-N 373.438 1.217 50 50 FDGA Cc1onc(C(=O)NN)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl 2567138 PWOINBCDSXSSCD-UHFFFAOYSA-N 363.683 1.906 50 50 FDGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cn2nnc3ccccc32)c1O 35396477 WKVBKZJULQVMOG-CAOOACKPSA-N 370.325 1.204 50 50 FDGA O=C(NCc1ccccc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239302605 FLYVDBOGXBTOMP-TVQXOTEMSA-N 350.212 1.874 50 50 FDGA COc1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC 6008418 AYANULWFKLSSCC-UHFFFAOYSA-N 355.350 1.799 50 50 FDGA O=C(CON1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 3104283 AVQWXZIWLBMSIY-UHFFFAOYSA-N 373.752 1.329 50 50 FDGA O=C(Nc1ccc(O)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239248111 YBVXLYDEKJABPR-DZDPUUJWSA-N 352.184 1.902 50 50 FDGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1 4303155 HTVXSXRNQHBJPC-CIAFOILYSA-N 355.394 1.974 50 50 FDGA COc1ccc(OC)c(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1 5030017 OWMRVORSIMZQBS-RMDWTDPUSA-N 367.405 1.684 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 4335806 HXUVTWWNEHQEGZ-YBFXNURJSA-N 355.350 1.571 50 50 FDGA CCn1cc(Cl)c(C(=O)NNC(=S)Nc2cnn(CC)c2C)n1 2802470 HNNYXAFPICACCR-UHFFFAOYSA-N 355.855 1.713 50 50 FDGA Cc1nsc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2325819786 PYGZGLSAWKCPDO-GXFFZTMASA-N 373.438 1.217 50 50 FDGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1O 2899079 QDWMKPAQTGAYAW-YBFXNURJSA-N 357.366 1.888 50 50 FDGA NNC(=O)[C@H]1[C@H]2C[C@H]3Cc4[nH]c5ccccc5c4CN3C[C@H]2CC[C@H]1O 12407107 FSQRVRPQXUTOFA-KGWKWVOOSA-N 354.454 1.292 50 50 FDGA C#CCCC1(CCC(=O)NNc2ccccc2S(=O)(=O)N(C)C)N=N1 2325817463 YEMPWIQTERPRNP-UHFFFAOYSA-N 363.443 1.736 50 50 FDGA O=C(NNC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 3898083 QHKRPGZKOWQAID-UHFFFAOYSA-N 358.467 1.934 50 50 FDGA COc1cc2nc(O)c(C(=O)N/N=C/c3cccnc3)c(O)c2cc1OC 299738164 CZKMVQCAIARFGB-AWQFTUOYSA-N 368.349 1.822 50 50 FDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC[C@@H]1C(=O)NN=C1C 100334369 BHCITJCRJIVETE-BEAUZRKQSA-N 362.386 1.065 50 50 FDGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 4652426 WURLWQQUUAXUNI-GZMMTYOYSA-N 370.667 1.607 50 50 FDGA NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 34925103 KGPOPAALDUPTNS-UHFFFAOYSA-N 354.439 1.961 50 50 FDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccc(F)c(Br)c1 8748370 ISOXALSZAYXODX-SNVBAGLBSA-N 363.146 1.890 50 50 FDGA Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN)CC2)c(C)c1C 6933258 MZOOTVOWWWJWGK-UHFFFAOYSA-N 353.488 1.619 50 50 FDGA O=C1NC(=O)C(=NNC(=O)c2sc3ccccc3c2Cl)C(=O)N1 13570286 FPUCNWQNNKZQDO-UHFFFAOYSA-N 350.743 1.007 50 50 FDGA Nc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3121379 KSPXBXZPPWPZCH-QGMBQPNBSA-N 361.745 1.919 50 50 FDGA COc1ccc(/C(C)=N/NC(=O)CN2CCOCC2)cc1Br 19794911 PBKCUHPAHYNHPQ-GZTJUZNOSA-N 370.247 1.630 50 50 FDGA Cc1cccc(NC(=O)NNC(=O)CNC(=O)Nc2cccc(C)n2)c1 4761471 BJIKSMISNANKQJ-UHFFFAOYSA-N 356.386 1.673 50 50 FDGA CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3ccccc3)C2=O)cc1 100097160 PHWUROGDJDFSEG-QGZVFWFLSA-N 367.405 1.581 50 50 FDGA COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 19372430 SKLSSPGYWOEHEQ-PXLXIMEGSA-N 366.465 1.963 50 50 FDGA O=C(N/N=C/c1cc(=O)[nH]c(=O)[nH]1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1505301 QMYGTFCOQZOMGE-KOWBDXASSA-N 374.400 1.520 50 50 FDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccccc2OC)C1 13320758 JGVGZNAFKSCTNA-MPMPPSQCSA-N 353.444 1.207 50 50 FDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@H]1COc2ccccc2O1 5904042 CMBYKYPGYZZQKJ-CQSZACIVSA-N 368.305 1.207 50 50 FDGA CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCSCC3)cc21 4117079 FYAABYIVOJOACN-UHFFFAOYSA-N 350.419 1.317 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 3061732 YWPSKHHFOFAPDC-YBFXNURJSA-N 357.366 1.888 50 50 FDGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1O 2544009 HNMQUZROHQDOJR-SRZZPIQSSA-N 355.394 1.979 50 50 FDGA COc1ccc(C(=O)N[C@H](C(=O)NN)C23CC4CC(CC(C4)C2)C3)cc1 4247279 SKWXUQRZXVXTHF-ANCGMVAHSA-N 357.454 2.000 50 50 FDGA Cc1nc([C@@H]2CCCN(C(=O)CCl)C2)oc1C(=O)N1CCOCC1 1875374658 BVIUQSGUQQSKKR-GFCCVEGCSA-N 355.822 1.400 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2O)cc1 4230312 GFPFJUKREDLFPD-YBFXNURJSA-N 357.366 1.888 50 50 FDGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1 1229874 SEEBLPAOAWTWBF-UHFFFAOYSA-N 367.814 1.922 50 50 FDGA O=C(N/N=C/c1ccoc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17074407 DDVOJTKSXYWDKH-CLXYIWAZSA-N 361.423 1.831 50 50 FDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189124 KNWRSBPCMOZEQH-QGZVFWFLSA-N 370.321 1.346 50 50 FDGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C 240471608 GDDDDQONKLDCKF-QLFBSQMISA-N 360.410 1.885 50 50 FDGA OC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816136 FDJMMLBQTOWILW-SFHVURJKSA-N 350.490 1.023 50 50 FDGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 4652425 WURLWQQUUAXUNI-KWQFWETISA-N 370.667 1.607 50 50 FDGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@]12C(=O)Nc1ccccc12 718526 JYAWGSGEMRXXJA-IBGZPJMESA-N 356.345 1.796 50 50 FDGA COc1ccc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC 32678411 APZGLSSEZHBEJU-NVMNQCDNSA-N 354.370 1.522 50 50 FDGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-] 95528634 SYSWOWJNJHQMQK-VQTSDBRASA-N 368.349 1.280 50 50 FDGA CC(C)(C)OC(=O)NOCCOCCOCCOCCBr 575419615 BWEZLXYPVZNLFJ-UHFFFAOYSA-N 372.256 1.887 50 50 FDGA C[C@H](Cl)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1875364456 MXDCXQBJOOBKKQ-NSHDSACASA-N 358.847 1.002 50 50 FDGA O=Cc1c(OCc2cccc(OCc3ccccn3)c2)cccc1B(O)O 2325825850 FAHXZLUYTXGGGK-UHFFFAOYSA-N 363.178 1.732 50 50 FDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(OC)c1OC 4335674 WVTJKTIVEFSRCF-YBFXNURJSA-N 357.366 1.801 50 50 FDGA Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 239438985 ZGVGHJUYTKSFHT-NJNCZSALSA-N 374.437 1.965 50 50 FDGA Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 239212639 TVWVBTKSFTUENS-UAHISNFZSA-N 372.421 1.741 50 50 FDGA COC(=O)NNC(=O)c1cnn(C(C)(C)C)c1I 895510172 LBPHPGRZRRMUDN-UHFFFAOYSA-N 366.159 1.244 50 50 FDGA C[C@H](C(=O)NNc1ncnc2ccccc12)N1C(=O)c2ccccc2C1=O 225401985 QJELMRAVEXUCJU-LLVKDONJSA-N 361.361 1.758 50 50 FDGA O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1 13622992 UKBPHWRLMRRMGA-HNNXBMFYSA-N 352.394 1.888 50 50 FDGA C=CCNC(=S)NNC(=O)CSc1nc(C)c(CCCC)c(=O)[nH]1 3130341 DCZLDPGJXXUZIA-UHFFFAOYSA-N 369.516 1.194 50 50 FDGA COC(=O)c1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1 28632403 RNLUSNZWALOSRL-NUVCRIBSSA-N 365.389 1.453 50 50 FDGA O=C(NN=c1ccc2nncn2[nH]1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F 2325750505 JNAGBRFEZBDOCC-PWSUYJOCSA-N 360.780 1.976 50 50 FDGA COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc3c(c2)OCO3)C(C#N)=C(N)O1 1384535 UFFWLOXQXZGJHN-OAHLLOKOSA-N 372.333 1.213 50 50 FDGA CC(C)(C)OC(=O)NCCOCCOCCI 1857522833 LRJHSBOQFJGFFX-UHFFFAOYSA-N 359.204 1.979 50 50 FDGA O=C(N/N=C1\C(=O)Nc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 5379007 RVAUPZZPUHPJTG-UHFFFAOYSA-N 353.294 1.006 50 50 FDGA O=C(N/N=C/c1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4278842 LDDALLKZVSGELW-RBYWHNRPSA-N 372.450 1.633 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)cc2)cc1 4292852 KUBNVKDQHRQQEM-CIAFOILYSA-N 355.394 1.974 50 50 FDGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccncc1 705520 LFZFVTWZXXUHRR-UHFFFAOYSA-N 356.201 1.467 50 50 FDGA CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(COC)c32)c2ccccc21 5130276 FJRMTJLFHXLZPP-GOSISDBHSA-N 351.366 1.295 50 50 FDGA CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9242906 RWBXZGDTGADMPY-KRWDZBQOSA-N 366.337 1.595 50 50 FDGA CC(C)(C)OOC(=O)[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 254592938 LAYBNBYOXYTONB-MRLSPYCTSA-N 371.227 1.888 50 50 FDGA O=C(N/N=C/c1ccccc1O)c1cnc2nc(C(F)(F)F)nn2c1O 2782151 NWULCCSKRXWXCA-PTXOJBNSSA-N 366.259 1.318 50 50 FDGA Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCNC2=O)c(C)n1C[C@@H]1CCCO1 222176477 YHNDWWZXMKWXHS-HMBXQEKBSA-N 370.453 1.586 50 50 FDGA CC[C@H]1CO[C@H](CC)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 404054140 KKNJJVBCOHYCEP-NWDGAFQWSA-N 365.448 1.923 50 50 FDGA COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1B(O)O 169903942 IKZNJZJEWBIUGX-UHFFFAOYSA-N 351.208 1.153 50 50 FDGA Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21 4963319 GCBJCQRJCKMZGE-JZJYNLBNSA-N 368.349 1.779 50 50 FDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21 100282784 VEWIIQIHDBDKRF-SILNSSARSA-N 371.780 1.994 50 50 FDGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1=O 2325755586 QFVHPBUSDIWDBU-GWZLXJJCSA-N 371.437 1.311 50 50 FDGA COc1cccc(OCC(=O)NNC(=O)COc2ccccc2OC)c1 2050729 AWWLXQLVRREEDD-UHFFFAOYSA-N 360.366 1.309 50 50 FDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C(/C)c1ccc(Br)cc1 100064618 VQTYVBHXKUSRCG-VJMCZWTHSA-N 351.204 1.801 50 50 FDGA Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)Cc1cccnc1 170621221 XBTOFXDJVHJOLM-UHFFFAOYSA-N 363.421 1.947 50 50 FDGA Cc1ccc(S(=O)(=O)NNC(=O)COc2cccc3cccnc23)cc1 4810232 UBQQMWBISBUOAX-UHFFFAOYSA-N 371.418 1.932 50 50 FDGA CN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21 4728123 FOFMLEVAPNKAKV-HXUWFJFHSA-N 363.421 1.394 50 50 FDGA CN(C)NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 5668244 QZNULKDXFIJXTM-XNTDXEJSSA-N 353.378 1.779 50 50 FDGA COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 1226609 XEVARCCQDYOCJH-ZJTXRKTBSA-N 357.322 1.894 50 50 FDGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-] 35337439 SYSWOWJNJHQMQK-ZUIDABRVSA-N 368.349 1.280 50 50 FDGA CCOC(=O)[C@@H]1[C@H](C(=O)NN)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 12859612 DNIWNXWOSLJJSB-MXWKQRLJSA-N 359.304 1.059 50 50 FDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(OC)c1 2900527 GQJXHDNGLYBOGT-VXLYETTFSA-N 371.349 1.491 50 50 FDGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 1226373 GKLIPLBJOGUXHG-RIEVCORGSA-N 373.321 1.599 50 50 FDGA COc1cc(C=NNC(=O)Cn2cnc3ccccc3c2=O)ccc1O 238900527 JEPOZSCDXSENES-UHFFFAOYSA-N 352.350 1.261 50 50 FDGA CC[C@@H]1NC(=O)NC(C(Br)Br)=C1C(=O)OC 4342667 ZKSPEUIEXZURGV-BYPYZUCNSA-N 356.014 1.621 50 50 FDGA O=C(COc1ccccc1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402938 FGRJMWIXPKSKEB-UHFFFAOYSA-N 359.407 1.854 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 43190586 KWVXRYZXZHKDSS-SRZZPIQSSA-N 369.377 1.362 50 50 FDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 4209590 HHQPDFHOKPXHJV-SRZZPIQSSA-N 353.378 1.646 50 50 FDGA Cc1nsc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2325819785 PYGZGLSAWKCPDO-GWCFXTLKSA-N 373.438 1.217 50 50 FDGA COCCCNC(=S)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 5061151 SWOQUWYBJGEZPR-UHFFFAOYSA-N 366.487 1.554 50 50 FDGA COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 1226607 XEVARCCQDYOCJH-TWIVVOHQSA-N 357.322 1.894 50 50 FDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(Cl)s2)C1 13320779 VZTIMBPKXAGZTC-CYANDVJASA-N 363.892 1.913 50 50 FDGA O=C(N/N=C/c1cccs1)c1ccccc1N1CCS(=O)(=O)CC1 1396310 LEVYGSDZTRYMHT-SFQUDFHCSA-N 363.464 1.747 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2cc(C)ccc2F)CC1 2325760697 RFNQTZMSMOLUES-UHFFFAOYSA-N 364.446 1.876 50 50 FDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2c(F)cccc2Cl)C1 2325889505 UPGADZZIBSGOIG-JTQLQIEISA-N 353.781 1.665 50 50 FDGA COc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc(OC)c1OC 2850981 ZTNVXKVOHKLLOW-LLVKDONJSA-N 369.443 1.000 50 50 FDGA CNC(=S)NNC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 1390356 CHILMYNNAPAXSW-UHFFFAOYSA-N 364.378 1.395 50 50 FDGA COCc1cc(/C=N/NC(=O)CCn2ccc([N+](=O)[O-])n2)ccc1OC 2784117 MVLSCHFXYJCOMM-LICLKQGHSA-N 361.358 1.487 50 50 FDGA C=CC(=O)N1CCC(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1 1875363317 VKGXFJRVTCYWDH-UHFFFAOYSA-N 359.430 1.330 50 50 FDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(O)cc1O 19371724 PCMDLUGQDBUFCF-FYJGNVAPSA-N 368.437 1.366 50 50 FDGA C[C@H](Oc1ccccc1)C(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 100491528 DCARHKHQGVMLMR-JTQLQIEISA-N 354.322 1.835 50 50 FDGA CC(=O)N1CCC(C(=O)NNC(=O)c2ccc3nc(C)c(C)nc3c2)CC1 4073075 DXESHGOBPDYGGU-UHFFFAOYSA-N 369.425 1.266 50 50 FDGA COc1cc2nc(O)c(C(=O)N/N=C/c3ccccn3)c(O)c2cc1OC 299738217 KGNPFFCIQGPKCX-AWQFTUOYSA-N 368.349 1.822 50 50 FDGA Cc1noc(C)c1S(=O)(=O)NC[C@H](NC(=O)CCl)c1ccccc1 1875384443 PLGWBHZTNUGNJW-ZDUSSCGKSA-N 371.846 1.666 50 50 FDGA COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 1926553 MHSJOKXPOBXYRB-UHFFFAOYSA-N 374.378 1.553 50 50 FDGA O=C1NCCC[C@@H]1N1C(=O)c2ccc(NC(=O)[C@H](F)Cl)cc2C1=O 2325901604 MVWPLYQGQIBLCQ-QWRGUYRKSA-N 353.737 1.034 50 50 FDGA COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 35800865 UZMLDJHHBYATEL-AOVQIXHVSA-N 373.321 1.599 50 50 FDGA O=C(CCNc1nnc(O)nc1O)N/N=C/c1ccc(C(F)(F)F)cc1 13520484 UILKIXZJDRIQCS-FBCYGCLPSA-N 370.291 1.254 50 50 FDGA CCCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9242539 RWBXZGDTGADMPY-QGZVFWFLSA-N 366.337 1.595 50 50 FDGA COC(=O)N/N=C(\c1ccc(O)cc1)[C@H](C)[C@]1(O)C(=O)Nc2ccccc21 5671372 HJXZINHUQWMPQB-IZPMDODTSA-N 369.377 1.928 50 50 FDGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(OC)c1OC(C)=O 1025770 OANIVTCYDQILSF-OAHLLOKOSA-N 370.365 1.879 50 50 FDGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222051260 BOKPIFOYLOPBTM-PZCPUNMNSA-N 358.438 1.873 50 50 FDGA COCCNC(=S)NNC(=O)[C@@H](C)Oc1cc(Cl)ccc1Cl 2853990 PHDDIPNIBLSOEE-MRVPVSSYSA-N 366.270 1.902 50 50 FDGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2697101 YDQJIGDLGINZFE-SFKKXYGYSA-N 361.467 1.743 50 50 FDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 2532133 ISBRKLTVUICYDB-UFFVCSGVSA-N 369.377 1.339 50 50 FDGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1coc(=O)c(Br)c1 239274587 AKDOOCKFYTWJRI-JZYVYDRUSA-N 355.188 1.600 50 50 FDGA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=S)NC[C@H]1CCCO1 2853366 PVPXKUYNGLEKES-MLGOLLRUSA-N 363.483 1.617 50 50 FDGA Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)cc1 101270930 FNGLBYOWFVCABK-LKTHJCGVSA-N 358.394 1.434 50 50 FDGA CCCOc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 17075459 YRLTWDFVBRABPL-BRFSQIRFSA-N 367.471 1.597 50 50 FDGA C=CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2cc(Cl)cn2C)c1 1875371785 MAURXBNDHDJCQV-UHFFFAOYSA-N 362.773 1.583 50 50 FDGA O=C(NNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCOC1 792697189 FVVVKZHQZAGKSO-ZCFIWIBFSA-N 373.645 1.993 50 50 FDGA COc1cccc(C(=O)NN(C)c2nc(C)cc(C)c2S(C)(=O)=O)c1 1387825 IKJDBNGWFACYAS-UHFFFAOYSA-N 363.439 1.892 50 50 FDGA COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1 1208043 AUPOQJOUIAYPCF-VCHYOVAHSA-N 352.354 1.205 50 50 FDGA O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 3466218 ANOUKDDKKWEMBP-UHFFFAOYSA-N 366.311 1.126 50 50 FDGA CCC(C(=O)N/N=C/c1ccccc1O)C(=O)N/N=C/c1ccccc1O 39959613 QOBCGKPFBWNYFB-HGEIODPWSA-N 368.393 1.724 50 50 FDGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1C 239310448 ILDDOMJAFVZHTL-UAHISNFZSA-N 372.421 1.741 50 50 FDGA CC(C)(C)OOC(=O)C12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 254592930 LAYBNBYOXYTONB-BXSWNAAGSA-N 371.227 1.888 50 50 FDGA O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccccc1Cl 17028687 USONVECUFAHYGU-UHFFFAOYSA-N 357.753 1.962 50 50 FDGA CN(C)c1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 1442428 OGZBCZOOVZHMCW-MRXNPFEDSA-N 370.384 1.458 50 50 FDGA CN1C(=O)c2ccc(C(=O)NNc3nc(O)c4ccccc4n3)cc2C1=O 758299727 MEOSTWXRKSMQSP-UHFFFAOYSA-N 363.333 1.318 50 50 FDGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)C1CCNCC1 3110184 CHZUJWXHFIUYSQ-UHFFFAOYSA-N 351.204 1.221 50 50 FDGA Cc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)[nH]n1 5041264 JJWPYPQVFPQHBU-VOTSOKGWSA-N 363.830 1.720 50 50 FDGA aggregator CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccccc1Br 100151666 OQXUQKHQIWJSAP-FNQVVVRFSA-N 351.204 1.801 50 50 FDGA O=C(CCBr)N1CCN(C(=O)CCBr)CC1 1530753 NJBFOOCLYDNZJN-UHFFFAOYSA-N 356.058 1.227 50 50 FDGA biogenic,world COc1ccc(COC(=O)C2=C(CCl)CS[C@H]3[C@@H](N)C(=O)N23)cc1 40448832 PBKFYMCZYNFVIA-WFASDCNBSA-N 368.842 1.474 50 50 FDGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1 2906851 VLQNEVWUPJKVGV-FRKPEAEDSA-N 361.383 1.950 50 50 FDGA N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1Br 634308 AOQQIJGZNMGPOT-VIFPVBQESA-N 361.155 1.044 50 50 FDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2054511 QVDOTQSIRWBSIP-YBFXNURJSA-N 355.350 1.571 50 50 FDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2892193 NSXPSMXMKXHZME-VXLYETTFSA-N 355.350 1.903 50 50 FDGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc(OC)c1OC 2909802 SEKHBPOTWJARNG-YBFXNURJSA-N 357.366 1.801 50 50 FDGA CS(=O)(=O)Nc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cc1 758295931 OITDASSGMDZPGZ-UHFFFAOYSA-N 373.394 1.464 50 50 FDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1OC 2543974 QKAGVGKHKNQWNY-SRZZPIQSSA-N 355.394 1.892 50 50 FDGA O=C(NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1[N+](=O)[O-] 1075423 LRTQTUZJKXMKBO-ZDUSSCGKSA-N 372.312 1.300 50 50 FDGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 38140834 XXUXXCZCUGIGPP-WLRTZDKTSA-N 365.214 1.474 50 50 FDGA in-man COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 2565280 OZAJLQJVJJQZEB-SRZZPIQSSA-N 371.393 1.593 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)cc2)cc1OC 2568816 ZCXWAOWECDTNBG-SRZZPIQSSA-N 355.394 1.892 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2nc3ccccc3s2)C1 2325889395 NQILFAIAPHNWDZ-LLVKDONJSA-N 358.423 1.482 50 50 FDGA C[C@@]1(C(=O)NNC(=O)[C@@]2(C)C[C@@H]2Br)C[C@@H]1Br 3110508 CDNSNKYVQJZYJO-AJSHEINVSA-N 354.042 1.481 50 50 FDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 2542963 XTJDYAXXZRTDDX-UFFVCSGVSA-N 369.377 1.339 50 50 FDGA CN1CCN(C(=O)NNC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 225700516 WSCFSBXMVFIPPR-KRWDZBQOSA-N 359.474 1.029 50 50 FDGA COC(=O)Cc1[nH]nc2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 803850 PUUMQLLNKXBHCD-MRXNPFEDSA-N 361.361 1.892 50 50 FDGA COc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(N(C)C)cc1 2896140 LPYHCDBCSUQWSM-CIAFOILYSA-N 354.410 1.641 50 50 FDGA C[C@]1(CBr)Cn2c(nc(=O)c(Br)c2N)S1 1432547 YOOJRLKOEFLMHX-QMMMGPOBSA-N 355.055 1.847 50 50 FDGA CC(=O)O/N=C(CBr)/C(CBr)=N/OC(C)=O 3982486 WJIZQROZLVVZAP-MKICQXMISA-N 357.986 1.614 50 50 FDGA CN1CCC(=NNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 55433786 LHZKHSUQVLEUMX-UHFFFAOYSA-N 353.220 1.585 50 50 FDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2oc3ccccc3c2C)C1 2325889472 SGCFBHJJXZBKSV-CYBMUJFWSA-N 355.394 1.927 50 50 FDGA COc1ccc(CC(=O)NNC(=O)CSc2ccccc2C(=O)O)cc1 1070622 MEXNWPYOZOUNGS-UHFFFAOYSA-N 374.418 1.876 50 50 FDGA Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3CCCc4cccc1c43)C(C#N)=C(N)O2 814350 CLIVTMICSPIECP-FQEVSTJZSA-N 361.357 1.613 50 50 FDGA CCOc1ccc(/C=N/NC(=O)C[S@](=O)Cn2cc(Cl)cn2)cc1 6487922 RGYKKCORSAARSO-BUQGAMOMSA-N 368.846 1.792 50 50 FDGA O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 17073267 RLTZQGIUKNZXOD-UHFFFAOYSA-N 354.319 1.749 50 50 FDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 1420978 UUYQXIGCWUSXSN-HNNXBMFYSA-N 356.334 1.367 50 50 FDGA biogenic CCn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H](Br)[C@H]1Br 254764115 BKZJXAPBDSHINK-XAMCCFCMSA-N 365.025 1.024 50 50 FDGA COc1cc(/C=C/C(=O)NNC(=O)c2ccc(O)cc2)cc(OC)c1OC 2143552 UJEDLGOAGQIXRG-RUDMXATFSA-N 372.377 1.892 50 50 FDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21 5510828 JAVJOUQMILGADD-SILNSSARSA-N 371.780 1.994 50 50 FDGA Cc1[nH]nc(O)c1CC(=O)N/N=C/c1cc(Br)ccc1O 1193504 GDQLMKUXDIGDFQ-GIDUJCDVSA-N 353.176 1.585 50 50 FDGA CCOC(=O)[C@@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4348082 DNIWNXWOSLJJSB-DCAQKATOSA-N 359.304 1.059 50 50 FDGA COC(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 679506 AYPFQOBXKAFAIT-MRXNPFEDSA-N 370.365 1.497 50 50 FDGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)Cn2nnc3ccccc32)cc1 17201337 SJPQRLAUICAHFY-XDHOZWIPSA-N 351.366 1.897 50 50 FDGA COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1 16677580 OWMRVORSIMZQBS-PSBCHJKCSA-N 367.405 1.684 50 50 FDGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-] 35337437 SYSWOWJNJHQMQK-OAXFRTQCSA-N 368.349 1.280 50 50 FDGA CC[C@H](Br)C(=O)NCCNC(=O)[C@H](Br)CC 100821231 ZLCVERVTANFFLI-OCAPTIKFSA-N 358.074 1.566 50 50 FDGA CC[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](CC)CO1 404054151 KKNJJVBCOHYCEP-VXGBXAGGSA-N 365.448 1.923 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2552613 DEOGUNCFISDYTL-RGVLZGJSSA-N 370.365 1.874 50 50 FDGA N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccc(F)c(Br)c1 8748369 ISOXALSZAYXODX-JTQLQIEISA-N 363.146 1.890 50 50 FDGA CC(C)(C)C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)C(C)(C)C)c1 1197863 RGENZFATAPWULH-UHFFFAOYSA-N 362.430 1.301 50 50 FDGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C 240471609 GDDDDQONKLDCKF-RBSFLKMASA-N 360.410 1.885 50 50 FDGA N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1c(Cl)cccc1Cl 634316 QGTYVTZKBLECGF-QMMMGPOBSA-N 351.149 1.588 50 50 FDGA Cc1nn(C)c(NNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1C#N 1875349544 BEZRYCXARHQOFO-RHSMWYFYSA-N 366.425 1.653 50 50 FDGA CCOC(=O)[C@H](C(C)=O)[C@H](c1ccccc1)[C@H](C#N)C(N)=C(C#N)C#N 257345174 KJAJSAQBIXWDHV-GVDBMIGSSA-N 350.378 1.938 50 50 FDGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1cccc(NS(C)(=O)=O)c1 13322027 NNAQUNLQCDVGLD-YVLHZVERSA-N 363.395 1.623 50 50 FDGA Cc1cc2c(c(=O)o1)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 4954648 OIEZQPIPZAFWNY-AWEZNQCLSA-N 369.289 1.803 50 50 FDGA O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NC1CCCCC1 13623074 HRYJMAVHOLFNOT-HNNXBMFYSA-N 358.442 1.698 50 50 FDGA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(B(O)O)c(Cl)c1 169744400 NAKXCIPGIPVJGF-UHFFFAOYSA-N 354.942 1.834 50 50 FDGA O=C(CSc1ncn[nH]1)NNC(=O)c1ccccc1Br 5736932 DPDHGSOJBQGONN-UHFFFAOYSA-N 356.205 1.121 50 50 FDGA COc1ccc(CC(=O)NNC(=S)NCc2ccccc2)cc1OC 2531681 DGQXDFLKMITIQF-UHFFFAOYSA-N 359.451 1.942 50 50 FDGA O=C(O)CCSSCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 1875388723 NTQZSLPGSVEQRW-LBPRGKRZSA-N 372.468 1.835 50 50 FDGA COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(OC)c1O 5675375 YCWJGGLDESJQQV-GIJQJNRQSA-N 355.354 1.304 50 50 FDGA CCn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H](Br)[C@@H]1Br 100693935 BKZJXAPBDSHINK-DKXJUACHSA-N 365.025 1.024 50 50 FDGA C[C@@H](Cl)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1875364696 QOUVSGGNLSDIDW-OLZOCXBDSA-N 353.854 1.026 50 50 FDGA COc1ccc(CCNC(=O)c2ccc(B(O)O)c(Cl)c2)cc1OC 169744418 KIKOOUKVLRATRL-UHFFFAOYSA-N 363.606 1.010 50 50 FDGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 239274689 AOQNHRQWCDISGJ-FDICVXPISA-N 360.410 1.657 50 50 FDGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@@]12C(=O)Nc1ccccc12 4624589 XBYCLUWLOREKRP-NRFANRHFSA-N 370.368 1.901 50 50 FDGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc3c(c2)OCO3)C(C#N)=C(N)O1 1384534 UFFWLOXQXZGJHN-HNNXBMFYSA-N 372.333 1.213 50 50 FDGA C[C@@H](Cl)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1875364695 QOUVSGGNLSDIDW-CHWSQXEVSA-N 353.854 1.026 50 50 FDGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(F)cc1F)C(F)(F)F 2769527 PDZAGCMOBFAKJG-GZMMTYOYSA-N 361.650 1.977 50 50 FDGA Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195757624 IJWIJLIIOKZJMS-AGIUHOORSA-N 356.495 1.515 50 50 FDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1O 4261324 XQCBOOQXDCFALO-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA COc1cc(/C=N/NC(=O)c2c(O)c3ccccc3[nH]c2=O)ccc1O 6420279 RHPMXWJXZKAUPH-DJKKODMXSA-N 353.334 1.712 50 50 FDGA CN(C)S(=O)(=O)c1ccc(N2CC[C@H](N=C=S)C2)c2nonc12 2569327 YMXYIIXTKUQWPC-VIFPVBQESA-N 353.429 1.155 50 50 FDGA in-vitro O=C(N[C@@H](CO)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 100045954 WSSWIPRIDMKWQY-HNNXBMFYSA-N 360.322 1.788 50 50 FDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1O 3080506 JHKVQVBEMXRIQF-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA biogenic COc1ccccc1NC(=O)C(=O)N/N=C/c1coc2ccccc2c1=O 2530130 DPVKQTOUWNXKNP-KEBDBYFISA-N 365.345 1.890 50 50 FDGA COc1cc(B(O)O)c(C=O)cc1OCCCOc1ccc(Cl)cc1 2325854130 PBYCKZIIBWKBEG-UHFFFAOYSA-N 364.590 1.689 50 50 FDGA C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325754957 ODFHRBFYDVCZSK-UGQVUOCMSA-N 359.426 1.169 50 50 FDGA COc1ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1O 32614444 BLBDUCQOLMFSHL-VCWABJPUSA-N 353.378 1.381 50 50 FDGA O=C(O)COCCOCCOCCOCCOCCCCCCCl 1534206296 JKRQJQUHILRKGV-UHFFFAOYSA-N 370.870 1.953 50 50 FDGA O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1F 13623179 IQWUEKHWPSYXHG-CQSZACIVSA-N 355.369 1.635 50 50 FDGA COC(=O)c1ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1 28632406 RNLUSNZWALOSRL-VXRLUZMTSA-N 365.389 1.453 50 50 FDGA CCOc1ccc(/C=N/NC(=O)C[S@@](=O)Cn2cc(Cl)cn2)cc1 6487910 RGYKKCORSAARSO-WAKDBBHESA-N 368.846 1.792 50 50 FDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 3081737 IEHJWNYFQPEVQO-AWQFTUOYSA-N 361.785 1.934 50 50 FDGA Cc1ccc(OCC(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C(=O)O)cc1 239302629 FNGLBYOWFVCABK-DYIBVVGTSA-N 358.394 1.434 50 50 FDGA CCOc1cccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1O 16677550 XWAJJDDSZSEJQC-DVHVIWRQSA-N 367.405 1.771 50 50 FDGA C[C@H](Cl)C(=O)NCCOC1(CNC(=O)OC(C)(C)C)CCOCC1 1875376481 YIFYNFRUNOSGCX-LBPRGKRZSA-N 364.870 1.820 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2O)cc1 4335711 XYBTVLSTGYNNBO-SRZZPIQSSA-N 371.393 1.680 50 50 FDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)cc1 2552852 KXVYUVCCAOEYBV-CIAFOILYSA-N 355.394 1.974 50 50 FDGA Cc1cccc(C2=CCN(C(=O)c3ccc(B(O)O)c(C=O)c3)CC2)c1C 2325873542 KYGZVWIAHSPNLW-UHFFFAOYSA-N 363.222 1.725 50 50 FDGA Cc1nn(C)cc1NC(=S)NNC(=O)Cn1nc(C(F)F)cc1C 2788319 IBPIYNBVYJMRTM-UHFFFAOYSA-N 357.390 1.189 50 50 FDGA C=CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Br)cc1 6524326 GVCCQFNFPNFUHI-SECBINFHSA-N 358.261 1.898 50 50 FDGA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)NCc1ccco1 2856141 MMFGGNLOQKLQJH-SNVBAGLBSA-N 363.395 1.471 50 50 FDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2532862 CKGHTSUKNUFKTB-VXLYETTFSA-N 356.338 1.484 50 50 FDGA Cc1nn(C)cc1NC(=S)NNC(=O)c1cc(C(F)(F)F)nn1C 2787702 FXNXTJKTWFAWFJ-UHFFFAOYSA-N 361.353 1.112 50 50 FDGA O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 761788786 DVIYEYSRHYYVSY-MCIONIFRSA-N 371.397 1.237 50 50 FDGA O=C(CCl)N[C@H](O)C(Br)(Br)Br 71769925 FRVBPDDRAPOEOG-GSVOUGTGSA-N 374.254 1.498 50 50 FDGA CN(C)c1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN)cc1 12414008 VHHWLFRCEVTAQM-WJDWOHSUSA-N 369.381 1.422 50 50 FDGA CCn1ncc(NC(=S)NNC(=O)CCn2cc(Cl)cn2)c1C 2802352 HVMUFAVLVBXWDY-UHFFFAOYSA-N 355.855 1.469 50 50 FDGA CC1(CC(=O)N/N=C/c2cc(Br)c(O)cc2O)OCCO1 1194922 RSUXWBVBBZMIGV-VIZOYTHASA-N 359.176 1.464 50 50 FDGA CCN1CCN(CC(=O)N/N=C/c2cc(Br)cs2)CC1 19594939 CNGPEYJXECWBNX-OVCLIPMQSA-N 359.293 1.598 50 50 FDGA N#CC1(C#N)C[C@@]2(O)NC(=O)[C@@]1(C#N)[C@H](c1ccccc1)[C@H]2Br 167309800 PHHURESSVHMUKY-BHTHQVBYSA-N 371.194 1.299 50 50 FDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189099 FEVSUXCRNLZGNV-KRWDZBQOSA-N 352.306 1.516 50 50 FDGA Cc1noc2ncc(C(=O)NNC(=O)c3ccccc3-n3ccnn3)cc12 2325732310 OTHFFUWOHLNVMJ-UHFFFAOYSA-N 363.337 1.187 50 50 FDGA O=Cc1c(OCc2noc(-c3ccc(F)cc3F)n2)cccc1B(O)O 2325826242 VNRCSIMMRLRBPY-UHFFFAOYSA-N 360.081 1.086 50 50 FDGA Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 937131 SMMPMUJLWITTGR-UHFFFAOYSA-N 365.367 1.292 50 50 FDGA NC(=O)N/N=C/c1c(SCc2ccccc2)nc2ccccn2c1=O 3093427 JJCNXBCWBQEBEZ-VXLYETTFSA-N 353.407 1.989 50 50 FDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(O)c(O)c1 20130688 STRYWVPTFUQHON-FYJGNVAPSA-N 368.437 1.366 50 50 FDGA O=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1Cl 20352031 YYVWUFDDOZWLHI-UHFFFAOYSA-N 356.879 1.171 50 50 FDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 135936161 COYHOSGBUYLGIB-UOVKNHIHSA-N 350.802 1.777 50 50 FDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc([N+](=O)[O-])cc1 18115774 YWKRQJPJAALEQB-UHFFFAOYSA-N 355.266 1.589 50 50 FDGA COc1ccc(C)cc1CC(=O)NNC(=O)C[C@@H]1CC[C@H](NC(C)=O)C1 832834802 NYVXLPQCNYMOSY-ZBFHGGJFSA-N 361.442 1.388 50 50 FDGA C[C@@H](Cl)C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1875376455 XSALLWJJCKPGOQ-NEPJUHHUSA-N 358.866 1.795 50 50 FDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 4229224 BUPPTBACJCCYPE-RGVLZGJSSA-N 364.361 1.626 50 50 FDGA CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 252444060 YGMNLFCZNWOCCU-DARAHFNDSA-N 358.394 1.758 50 50 FDGA CCC[C@@H](NC(C)C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 225581732 VASHVFGIEKCYPD-MRXNPFEDSA-N 368.503 1.737 50 50 FDGA