smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C=C[C@H]2C1(c1ccccc1)c1ccccc1 104086906 PVVNVOVWHMQXEI-XMTFNYHQSA-N 316.356 3.104 50 40 DGGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(Br)c1 408805335 ADUVRSXKCNFWEB-CEXMDJMXSA-N 307.191 3.271 50 40 DGGB O=C(CCl)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 165426 WCIRWWWNBGZXQH-CYBMUJFWSA-N 316.710 3.395 50 40 DGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1 345381 BXMWPYYQTWFAPD-SRZZPIQSSA-N 321.380 3.314 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1 501325 WHTDQBVIIGHTGZ-SDNWHVSQSA-N 308.337 3.249 50 40 DGGB C=CCn1c(SC#N)nc2sc3c(c2c1=O)CCCC3 3185553 QUARWNWMZCQJAY-UHFFFAOYSA-N 303.412 3.096 50 40 DGGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccco1 4588010 JRQMCDLBYLUDFN-OQLLNIDSSA-N 307.147 3.196 50 40 DGGB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CCl 216858068 ZBGFQKIWOFZKKZ-UHFFFAOYSA-N 301.733 3.376 50 40 DGGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(O)c1 59158 VDDVUGSHBRDYPP-DEDYPNTBSA-N 304.349 3.238 50 40 DGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2Cl)c1 582031 ZVLVJRKBCDLBFT-VCHYOVAHSA-N 315.760 3.062 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1086667 RTRNDQRKRSUBFV-NTEUORMPSA-N 307.309 3.449 50 40 DGGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1O 4702558 RFLXCWHVIMZRQN-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB N#CC1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O 38654552 HJZUEVFVRUWZNQ-UHFFFAOYSA-N 318.304 3.255 50 40 DGGB COc1ccc2nc(-n3nc(C)c(C(=O)Cl)c3C)sc2c1 57351361 CRJZYXCHBNJHMN-UHFFFAOYSA-N 321.789 3.486 50 40 DGGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(C)c(C)c2)cc1 59472491 UHIUFMASWMUZFX-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB CCC[C@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260616304 IBQFXRLHBRBXCW-IAQYHMDHSA-N 307.413 3.077 50 40 DGGB COc1cccc(/C=C(/C#N)c2ccc3c(c2)OCO3)c1OC 409362357 JDCOZWMIGYMEOS-ZSOIEALJSA-N 309.321 3.497 50 40 DGGB C/C(=N/NC(=O)c1ccc(Br)cc1)c1ccco1 5287693 JRHDKBKJZAZLQS-DHDCSXOGSA-N 307.147 3.196 50 40 DGGB OB(O)c1ccc(-c2cccc3c2sc2ccccc23)cc1 199965580 XUKACIDLJPTDTL-UHFFFAOYSA-N 304.179 3.401 50 40 DGGB CC[C@H](C)Oc1ccccc1/C=N\NC(=O)c1ccccc1O 408600201 AGTPQDPMVDLZCB-QXGSTRBFSA-N 312.369 3.333 50 40 DGGB CCOc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1 409387576 ROHVHWGZRBDDPL-WJDWOHSUSA-N 309.369 3.181 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccco1)Sc1ccccc12 495678 FSBJZAMEDDARSA-OAHLLOKOSA-N 318.361 3.418 50 40 DGGB O=C(CCSc1ccc(F)cc1)N/N=C1/CCn2cccc21 84494346 HJHJHKOCMSRMNZ-JXAWBTAJSA-N 317.389 3.034 50 40 DGGB COc1ccc2nc(NNC(=O)c3ccccc3F)sc2c1 251156 SXXJDZMMJMZIKZ-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 256002 FKXUAKMJGGAHTB-UHFFFAOYSA-N 310.397 3.367 50 40 DGGB Cc1ccc(OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6025270 AUDRIWUGUJTYMS-UHFFFAOYSA-N 305.337 3.216 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 358567 KGQNVMSKRSCMRM-PKNBQFBNSA-N 312.281 3.325 50 40 DGGB C#CCn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812182 LGGICJUOKNRHOV-CIAFOILYSA-N 319.339 3.178 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cc2ccccc2o1 2740327 OCDLISWGDGUAJU-OVCLIPMQSA-N 315.310 3.166 50 40 DGGB COc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccco3)C2)cc1 3887480 MHGLKEKELZAXEZ-AWEZNQCLSA-N 318.760 3.205 50 40 DGGB CC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260619358 KFRXBHUQQGKMHS-MFKMUULPSA-N 309.841 3.201 50 40 DGGB Br[C@H]1CC[C@@H]2N=C(N/N=C/c3ccccc3)S[C@@H]12 5600560 DFGPUHCURMBYPL-ORWUYRNWSA-N 324.247 3.007 50 40 DGGB N#C/C(=C\Nc1cccc(Cl)c1)C(=O)NCc1ccco1 4341818 PQODCFFPMMSJLU-PKNBQFBNSA-N 301.733 3.069 50 40 DGGB CCCCNC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12 79071369 LKOFXOOXDPQQNE-SDNWHVSQSA-N 310.401 3.281 50 40 DGGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)CC#N)cc21 223475100 PGKOPUBOPAVFOH-CIAFOILYSA-N 324.428 3.461 50 40 DGGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCC 59334619 WUOQBQYNTNFVMA-GHXNOFRVSA-N 322.792 3.133 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 28617341 REIQOKUARWVLQC-WJDWOHSUSA-N 320.348 3.327 50 40 DGGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(C)o3)ccc21 6319766 ZBVCANVXKGSKQJ-UDWIEESQSA-N 324.384 3.420 50 40 DGGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3ccccc3o1)OCO2 408948195 QUJASJUUNGRMMY-OCKHKDLRSA-N 322.320 3.234 50 40 DGGB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3CC[C@H]2[C@@H]3Cl)cc1 100017800 BIUHZYBFROEDBT-RUZUBIRVSA-N 300.807 3.106 50 40 DGGB CN(C)/N=C(\CBr)c1ccc(Br)cc1 16954884 XDNHXOOEKGYRAW-JLHYYAGUSA-N 320.028 3.110 50 40 DGGB Cc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] 7159038 RAGGUWRZHSNLTG-NTEUORMPSA-N 323.356 3.285 50 40 DGGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccc[nH]1 5535723 XFAKZSBPJODUCS-YBFXNURJSA-N 319.792 3.286 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1 140315 QVMOBJQZDGZWSJ-MHWRWJLKSA-N 320.348 3.443 50 40 DGGB COc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 8228841 MYTYAURRZQQTCW-KEBDBYFISA-N 322.286 3.478 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1ccccc1F 3226101 FICWCQPNPMEMHO-UFFVCSGVSA-N 324.359 3.178 50 40 DGGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 188125515 RPQSLZXSYULKNT-KAMYIIQDSA-N 307.353 3.004 50 40 DGGB O=C(CCCl)N1c2ccccc2S(=O)c2ccccc21 44892250 YNDKGSVLIXZIPX-UHFFFAOYSA-N 305.786 3.460 50 40 DGGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Cl 59334092 IJXFYNZZFKWCSJ-YHYXMXQVSA-N 313.184 3.387 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cccc(F)c1 59247847 FNLYMKAINLKQGZ-DEDYPNTBSA-N 307.328 3.380 50 40 DGGB CC(C)(CO)/N=C\c1ccc(N(CCCl)CCCl)cc1 100372329 XXADBLZLNHMWGT-WQRHYEAKSA-N 317.260 3.160 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccccc1)c1ccccc1F 408854724 BTQRBCKCIPHQMA-DEDYPNTBSA-N 307.328 3.380 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1 6033657 AYGGVOYBSCGMEK-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB Cc1ccccc1SCC(=O)N/N=C/c1ccc(F)cc1 59667 SOKIPCUMCDPLKG-VCHYOVAHSA-N 302.374 3.377 50 40 DGGB O=C(CCl)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 500100 MRXBUZVJLBTFKD-UHFFFAOYSA-N 324.771 3.383 50 40 DGGB C[C@]1(CBr)[C@@H]2CC[C@@]1(CBr)C(=O)C2 2707588 VWJROIUSFOLGSX-FKTZTGRPSA-N 310.029 3.152 50 40 DGGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 8220696 CCMXXPQBVNZPOR-MRJXLTKZSA-N 323.396 3.191 50 40 DGGB N#C/C(=C\Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 44842256 XYGSVWRDBZRIFV-JLHYYAGUSA-N 320.320 3.216 50 40 DGGB CSC1=C(C#N)C(=C(C#N)C#N)NC(c2ccc(C)cc2)=C1 100955217 YUTMLDUNXWUOCM-UHFFFAOYSA-N 304.378 3.381 50 40 DGGB C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccccn1 5381589 NHZFEDGJVPSDMD-KGENOOAVSA-N 303.365 3.318 50 40 DGGB Cc1cccc(N/C=C(/C#N)C(=O)c2ccccc2)c1C(=O)O 5390594 GPAKJBDPKRHIHP-KAMYIIQDSA-N 306.321 3.396 50 40 DGGB CC/C(C)=N\NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 15134639 LVUOGAWAQOMWPJ-RHTHQAGFSA-N 323.396 3.060 50 40 DGGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1CCCC1 59133187 WXHXSPVUMPIJRW-XFFZJAGNSA-N 319.748 3.214 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1 100177001 FVRXWYSPGILYJJ-WNADSGISSA-N 300.402 3.362 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1 252499788 SEHVVEQODZYCCZ-POHAHGRESA-N 316.244 3.074 50 40 DGGB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1CC(Cl)C1 585122296 VZKLJNHAUOGDPK-OOHWJJMZSA-N 320.864 3.127 50 40 DGGB CCCCCN(CCBr)CCBr 1604088 JZSFAWPUBJBIFF-UHFFFAOYSA-N 301.066 3.268 50 40 DGGB COc1ccc([C@H]2C(C#N)=C(C(C)(C)C)Nc3ncnn32)cc1 2485347 QDVBREUGTZAUML-AWEZNQCLSA-N 309.373 3.125 50 40 DGGB O=C(Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6352487 USSMMPLLCDPSCD-UHFFFAOYSA-N 313.737 3.006 50 40 DGGB O=N[C@H]1[C@@H]2C[C@@H]([C@H]1Br)[C@@H]1C[C@H](Cl)[C@H](Cl)[C@H]21 104362773 XTPIJABDTQDDCM-LQZDVGHJSA-N 313.022 3.386 50 40 DGGB O=S(=O)(c1ccc(CCCl)cc1)N1CCc2ccccc21 20190836 XWHYTBNJMLPYLV-UHFFFAOYSA-N 321.829 3.219 50 40 DGGB CC(C)CC(=O)NNC(=O)c1ccc(SC(F)(F)F)cc1 10161051 JPNPJCDYOBHFTO-UHFFFAOYSA-N 320.336 3.106 50 40 DGGB C/C(=N/NC(=O)COc1cccc(Cl)c1)c1ccccc1 4724114 HSEBIUBWFOZTTB-PDGQHHTCSA-N 302.761 3.259 50 40 DGGB Cc1cccc(C(=O)N(NC(=O)OC(C)(C)C)[C@H](C)C2CC2)n1 96012119 RXVPOXWGZPGHGU-GFCCVEGCSA-N 319.405 3.070 50 40 DGGB N#CCC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1 32578318 PPHALDIRZOKZSP-YMJDNYJDSA-N 319.364 3.143 50 40 DGGB CCOC(=O)c1sc(NC(=O)C(C)C)c(SC#N)c1C 7345629 NZBXMYLWVIWYQI-UHFFFAOYSA-N 312.416 3.401 50 40 DGGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)c1 445907 MUYJXUFGFLMBAC-NTEUORMPSA-N 308.337 3.337 50 40 DGGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccc1F 6312201 BHKANKJVAXUFIK-YBFXNURJSA-N 320.751 3.398 50 40 DGGB Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc23)s1 214499 PKWUMZYNVLZQQR-AWEZNQCLSA-N 320.373 3.472 50 40 DGGB CC(=O)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 26507114 IGSOPYXKMAUBAJ-HTXNQAPBSA-N 309.394 3.158 50 40 DGGB C[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCCC1 1403639 WCYCWOUIYVIIQW-INIZCTEOSA-N 321.424 3.040 50 40 DGGB O=C(N/N=C\c1ccccc1)c1cccc(Br)c1 30856004 WFBYSGWVDCMWBE-YBEGLDIGSA-N 303.159 3.213 50 40 DGGB NNC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 252510189 ZDIOQNJPCIYHTP-UHFFFAOYSA-N 304.655 3.222 50 40 DGGB COc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 585380 CVSAYCQZKQPGRH-UDWIEESQSA-N 321.380 3.178 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OC 485117 YNITUFJRXOKIBH-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 59361 ADUYQGDRHWEKMH-VCHYOVAHSA-N 315.760 3.062 50 40 DGGB CCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(C)cc2)cc1 408737141 LBWRXKMWEPOKIF-HKWRFOASSA-N 310.397 3.477 50 40 DGGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(O)cc1 100861728 VYYBSUGUMVAKQY-MOSHPQCFSA-N 304.349 3.238 50 40 DGGB Cc1n[nH]c2c1C1(CCC(C(C)(C)C)CC1)C(C#N)=C(N)O2 494340 HVQOLBWVILTFTO-UHFFFAOYSA-N 300.406 3.279 50 40 DGGB COc1ccccc1/C=C/C=C(\C#N)C(=O)Nc1ccccn1 2628196 RDIUPYKEEVZNRD-SKAFZBRJSA-N 305.337 3.192 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)CCc2ccccc2)c1 409111436 CRMIXEOLNTYBEA-HMMYKYKNSA-N 308.381 3.334 50 40 DGGB O=[N+]([O-])c1c(Br)ccc(F)c1CBr 97447197 HSHQCQQISSARNE-UHFFFAOYSA-N 312.920 3.391 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccccn2)c(C)n1-c1ccccc1 8165256 HCDZAXXHFPYVDA-FYJGNVAPSA-N 318.380 3.253 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1 59921326 LDGROGMQMKKPHU-KEBDBYFISA-N 322.286 3.478 50 40 DGGB N#CC(C#N)=C(NCc1ccc(Cl)nc1)NC1CCCCC1 97469 NGMGEBAXHFWLPK-UHFFFAOYSA-N 315.808 3.006 50 40 DGGB CN(C)c1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1 5611196 MIMGKFIBMGLDFV-UHFFFAOYSA-N 311.429 3.295 50 40 DGGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2C1(c1ccccc1)c1ccccc1 104086902 PVVNVOVWHMQXEI-BRSBDYLESA-N 316.356 3.104 50 40 DGGB Cc1ccc(-c2ccc(/C=N/NC(N)=O)o2)cc1Br 107747641 NSQVWERUIDDCCV-FRKPEAEDSA-N 322.162 3.020 50 40 DGGB C[C@@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)C2 100011744 VWJROIUSFOLGSX-QNSHHTMESA-N 310.029 3.152 50 40 DGGB CCOc1cccc(/C=N/NC(=O)c2ccc(C)cc2C)c1O 3226712 YCBONOHGWGCFGC-YBFXNURJSA-N 312.369 3.172 50 40 DGGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)cc1 408782306 HEUQYBMIYUETDZ-KAMYIIQDSA-N 307.353 3.004 50 40 DGGB Cc1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)cc1Cl 409096854 LGUYKLNNQLPNIA-UHFFFAOYSA-N 306.793 3.156 50 40 DGGB COc1cccc(C(=O)NNc2nc3c(C)cccc3s2)c1 4121290 HVMLKCFKSWBZAC-UHFFFAOYSA-N 313.382 3.370 50 40 DGGB CCc1sc(/C=C(/C#N)C(=O)OC)cc1Br 43796 BPSCYCUSWBTXHU-DAXSKMNVSA-N 300.177 3.153 50 40 DGGB CCCCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 3182874 UOUVNKVAOXASRB-LFIBNONCSA-N 307.350 3.111 50 40 DGGB CCN(CC)c1ccc(C(=O)N/N=C/c2cccs2)cc1 3235758 SZYPPTFKCGGEOG-SFQUDFHCSA-N 301.415 3.358 50 40 DGGB COc1ccc2nc(NNC(=O)c3ccc(F)cc3)sc2c1 4121387 XRGLODGURLOPQD-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB CCCCc1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1 8733008 XQDPQWWEJGEIMW-GFCCVEGCSA-N 310.825 3.101 50 40 DGGB N#CC1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O 35538369 UTIUFEOOLMPOLW-UHFFFAOYSA-N 300.314 3.116 50 40 DGGB CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)c1 59334588 LENVUSGMVAXNDU-GDNBJRDFSA-N 308.337 3.144 50 40 DGGB CCCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC 2769963 IVFCJQSEOGUHAL-GXDHUFHOSA-N 314.385 3.060 50 40 DGGB O=C(N/N=C1/CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 17950450 LHUOTRZKRVEMST-VLGSPTGOSA-N 309.325 3.065 50 40 DGGB CC12C[C@@H]3C[C@H](C1)CC(C(=O)N/N=C/c1ccccc1O)(C3)C2 59366499 WOKOFDIFVYQBJO-JZJAQUFFSA-N 312.413 3.449 50 40 DGGB O=C(N/N=C/c1cccc(F)c1)c1cc2ccccc2cc1O 3471501 GVQBPFJFSHKNIG-RGVLZGJSSA-N 308.312 3.448 50 40 DGGB Cc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1 4538986 QDWAYEPXYNOBMB-UKTHLTGXSA-N 315.336 3.292 50 40 DGGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 23163032 LPQHXVADLUNTAT-DTQAZKPQSA-N 302.333 3.244 50 40 DGGB C[C@@H]1CCCCN1c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 57328145 ZDMIEQJESMIFNZ-CHWSQXEVSA-N 320.820 3.184 50 40 DGGB CCc1cccc(C)c1NC(=O)CCc1nc(CCl)no1 95470272 CQDGEXQLPKUBKL-UHFFFAOYSA-N 307.781 3.251 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1Br 226272738 NQGXKGHXKDPTPM-XTVDJYLGSA-N 319.202 3.377 50 40 DGGB CCOC(=O)c1ccc(NC(=O)[C@@](C)(CCl)SC)cc1 2275519 NGUOCNQUKOZROQ-CQSZACIVSA-N 315.822 3.162 50 40 DGGB CC1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)CC1 57332315 DPHIGSNOOZLCNQ-ZDUSSCGKSA-N 320.820 3.041 50 40 DGGB N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 4634855 ZHQGVQNRKHDCLP-RDJZCZTQSA-N 306.390 3.462 50 40 DGGB CC(C)(C)OC(=O)[C@H](Br)CCCBr 136172034 JUVHEXHAOZLCCE-SSDOTTSWSA-N 316.033 3.267 50 40 DGGB CC(C)(C)c1cc(/C=C(\C#N)C(N)=O)cc(C(C)(C)C)c1O 3165704 GUBROJUTOMZSOC-KPKJPENVSA-N 300.402 3.379 50 40 DGGB C/C(=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1C)C1CC1 4699204 OUUCXUXRPOKBPR-YBFXNURJSA-N 321.808 3.269 50 40 DGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=C(C#N)C#N 3373106 OPXWVYOTCQLHOX-UHFFFAOYSA-N 303.369 3.211 50 40 DGGB CN(C)c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 12524123 IKHFJLCVGXVLFN-NTCAYCPXSA-N 307.401 3.135 50 40 DGGB C/C(=N/NC(=O)COc1c(C)cc(C)cc1C)c1ccc(C)o1 408956215 PXQMZORMELOWAK-CYVLTUHYSA-N 314.385 3.432 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 13881992 PXYPVXIKVDQZQH-UVTDQMKNSA-N 314.385 3.060 50 40 DGGB CCCCC(=O)Nc1cccc(C(=O)N/N=C/c2ccco2)c1 3663695 WXBYCFFOASEDIS-LDADJPATSA-N 313.357 3.172 50 40 DGGB Cc1nn2c(=O)cc(CCl)[nH]c2c1-c1ccc(Cl)cc1 100244360 HWFPNCYCQDQTFB-UHFFFAOYSA-N 308.168 3.390 50 40 DGGB CCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC)c2C)cc1 567139 OAVCSNNAGSYAOZ-GZTJUZNOSA-N 307.397 3.310 50 40 DGGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@H]1c1ccc(F)cc1 5886833 YBFSYPCQMYYGRU-KRWDZBQOSA-N 321.355 3.211 50 40 DGGB Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)c2ccccc21 61720099 OZFWVPUHIDWPJI-UKTHLTGXSA-N 317.348 3.430 50 40 DGGB CCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 100500792 HQPIOKYETOHZRO-OCCSQVGLSA-O 306.854 3.278 50 40 DGGB COc1ccc([C@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)cc1 177358 WDISBTDPEIHQJZ-GOSISDBHSA-N 324.380 3.146 50 40 DGGB CCOC(=O)NNc1nc2ccccc2n1Cc1ccccc1 4912750 IVGHKZHBIFMUAG-UHFFFAOYSA-N 310.357 3.158 50 40 DGGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)nc1 261586 ATBBDOHLHNBQKP-CIAFOILYSA-N 319.364 3.316 50 40 DGGB Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1O 366185 NRISGKIRFKEZRQ-YBFXNURJSA-N 305.337 3.013 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 59447376 IYBADLHCMAPNTF-WOJGMQOQSA-N 315.304 3.196 50 40 DGGB C/C(=N\NC(=O)c1csc(C(C)C)c1)c1cc(O)cc(O)c1 17054638 OPSYTZHVSWSFSV-LICLKQGHSA-N 318.398 3.437 50 40 DGGB O=[P@@]1(N(CCCl)CCCl)OCC[C@@H]2CCCCN21 4759173 LBHRYWZOYQOZFA-VOJFVSQTSA-N 315.181 3.149 50 40 DGGB C[C@@]12C[C@@H]3C[C@@](CC(=O)O)(C1)C[C@@]([C@H](Cl)C(=O)O)(C3)C2 100812010 KNKXDTNNKGZUSK-QQZFCILMSA-N 300.782 3.130 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)o1 340021 LONRVJOZZWADGF-VCHYOVAHSA-N 309.325 3.315 50 40 DGGB CCCCCCCC(=O)NNC(=O)c1ccc2ccccc2n1 102931099 ACFYNBPYUNGMLC-UHFFFAOYSA-N 313.401 3.356 50 40 DGGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccc1 3035499 BFGQWPVFTODDRY-GZTJUZNOSA-N 317.186 3.142 50 40 DGGB N#C/C(=C\c1ccccc1OCC(N)=O)c1ccc(Cl)cc1 408581037 SWJIFIKSYHPOFY-NTEUORMPSA-N 312.756 3.268 50 40 DGGB N#C/C(=C\c1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1 111939 DZKVPDNQTWEYHO-NTEUORMPSA-N 319.769 3.384 50 40 DGGB C[C@@H](CCBr)CCN1C(=O)c2ccccc2C1=O 1646222 QVJPIHSXQKOJTE-JTQLQIEISA-N 310.191 3.094 50 40 DGGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2cc(C)ccc2C)cc1 59472479 IIQQJFDHNJAYME-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB CO[C@@H](C(=O)N/N=C(C)/C=C/c1ccccc1O)c1ccccc1 5222234 LRBALUGZJAAPDE-GDTYGJQNSA-N 324.380 3.285 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(OC)cc2)cc1 5477224 VFGPFCBOJZLTEO-XSFVSMFZSA-N 310.397 3.341 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccc(N)cc2)c(C)n1CC(C)C 3525580 KNEREBAUPCTZIZ-KEBDBYFISA-N 312.417 3.107 50 40 DGGB Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCCC1 59434259 QYODGWDYMYFMEH-UHFFFAOYSA-N 307.781 3.023 50 40 DGGB O=[P@]1(N(CCCl)CCCl)NCc2ccccc2N1 100993005 XXGFHIZVEQQLAR-GOSISDBHSA-N 308.149 3.089 50 40 DGGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(C)s1 4832986 JXUIBYFBKSXNRA-YWEYNIOJSA-N 300.177 3.289 50 40 DGGB O=C(COc1ccc(Cl)cc1)N/N=C1/CCc2ccccc21 33437646 JJCXGVAZAFQEHL-MNDPQUGUSA-N 314.772 3.186 50 40 DGGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccccc3)ccc21 3285492 XKHSWYNYZXJJHD-XDHOZWIPSA-N 306.369 3.129 50 40 DGGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1O 5912563 KPCTUAZIVXDYLA-RNEAKCBISA-N 314.410 3.413 50 40 DGGB Cc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)cc2)c(C)c1 216046032 VFNPSWXFAQGOFZ-MOSHPQCFSA-N 309.413 3.062 50 40 DGGB Cn1c(SCCCCl)nnc1-c1cccc([N+](=O)[O-])c1 228929427 FNIYCKXVGLIDEK-UHFFFAOYSA-N 312.782 3.111 50 40 DGGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCC)cc1 3162150 YSXWMXMIHYJLOB-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB CC(=O)Oc1c(-c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1693818 RNOGJNZWRCEMMB-UHFFFAOYSA-N 302.242 3.095 50 40 DGGB C[C@H](CCBr)CCN1C(=O)c2ccccc2C1=O 2048729 QVJPIHSXQKOJTE-SNVBAGLBSA-N 310.191 3.094 50 40 DGGB O=C(N/N=C/c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 368599 AZUJHZICHWDYLK-VGOFMYFVSA-N 309.734 3.074 50 40 DGGB CN(NC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1 43680439 BTMJWQKXWJTZPH-UHFFFAOYSA-N 313.382 3.113 50 40 DGGB Cc1ccc(N(c2ccc(C)cc2)c2ccccc2B(O)O)cc1 204595523 DCPOXFMUUOFZAZ-UHFFFAOYSA-N 317.197 3.453 50 40 DGGB COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 5358749 FPUHAOCGPJHANW-WOJGMQOQSA-N 314.410 3.079 50 40 DGGB CC(C)CC(=O)Nc1ccc(NC(=O)CBr)cc1 35605227 RUQCQVJNHBFQRZ-UHFFFAOYSA-N 313.195 3.005 50 40 DGGB O=C(c1cccc(F)c1)[C@@H](Br)CBr 307334788 MDKAWIWJPASJIS-QMMMGPOBSA-N 309.960 3.167 50 40 DGGB O=C(CCl)N1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 79415105 RNGZYGVERPLAIJ-KRWDZBQOSA-N 320.864 3.271 50 40 DGGB CC(C)(C)OC(=O)N1CCN(c2ccc(SC#N)cc2)CC1 98209904 MWKNUMMPSCGXJR-UHFFFAOYSA-N 319.430 3.317 50 40 DGGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc2ccccc2[nH]1 12970041 WKAUWTBACNOWGQ-VAWYXSNFSA-N 318.336 3.326 50 40 DGGB CC(C)(CCl)C(=O)NCc1ccccc1Br 2555993 VZVHOLFNUVWKJB-UHFFFAOYSA-N 304.615 3.330 50 40 DGGB CCN/C(SC)=C(\C#N)c1nc(-c2ccccc2C)no1 104416851 SAOICWDTUQHSRO-QINSGFPZSA-N 300.387 3.210 50 40 DGGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(F)c1 137727 ZQVDLSNAWHEIOG-VURRPDKYSA-N 320.751 3.397 50 40 DGGB O=P(Nc1nccs1)(c1ccccc1)c1ccccc1 3225990 DQEIWAFIBKXKTC-UHFFFAOYSA-N 300.323 3.484 50 40 DGGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccncc2)c1 59473162 OGMXXBJNSBPICE-VXLYETTFSA-N 313.426 3.082 50 40 DGGB CC(C)(C)C1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1 4368047 SKAXYUDWLCLQRX-UHFFFAOYSA-N 321.465 3.144 50 40 DGGB COc1ccccc1N1CCN(/C(=C/C#N)c2ccccc2)CC1 75105641 PJYVMKUVQLSHTH-WOJGMQOQSA-N 319.408 3.382 50 40 DGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CCc2ccccc2)c1 409114226 DSQAXMNQSZYRNJ-KGENOOAVSA-N 323.396 3.118 50 40 DGGB COc1ccccc1/C=C/C=N\NC(=O)Cc1cccs1 5010161 SDXSOQIFFNIAGF-GAGKHWTPSA-N 300.383 3.115 50 40 DGGB COc1ccc(/C=C/C(=C(/C#N)C(N)=C(C#N)C#N)C2CC2)cc1 3001729 SGUNSHOAOYNRIG-FVQXPXKTSA-N 316.364 3.199 50 40 DGGB O=C(N/N=C(\c1ccccc1)c1ccccn1)c1cccs1 6337337 AXWOWLGDWVYPEA-KNTRCKAVSA-N 307.378 3.326 50 40 DGGB O=C(NNC(=O)[C@@H]1CC12CCC2)c1ccc(-c2ccccc2)cc1 349663 SHRLZFLCUKUVAF-KRWDZBQOSA-N 320.392 3.305 50 40 DGGB CC#C[P@](=O)(OC)[C@@](O)(CBr)c1ccccc1 547394 JHIVYXJFSCQGNP-SJCJKPOMSA-N 317.119 3.132 50 40 DGGB CCOc1ccc(C(=O)N/N=C(\C)c2ccc(F)cc2)cc1 370641 NHSNCGXFOTYQAJ-XDHOZWIPSA-N 300.333 3.378 50 40 DGGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1 8345534 IILLFOUGNSCZSQ-IZZDOVSWSA-N 314.772 3.123 50 40 DGGB Fc1ccc(I)cc1CBr 95917622 YSSWCSYAQLKZNM-UHFFFAOYSA-N 314.923 3.325 50 40 DGGB O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1cccs1 569152 GETFYMIBIXNZMH-UHFFFAOYSA-N 315.181 3.130 50 40 DGGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(O)c3)cc2c1 366230 AQHURQQAPNZHNR-RGVLZGJSSA-N 319.364 3.321 50 40 DGGB COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 19774667 IJLNZTURFLPZHK-SFHVURJKSA-N 324.380 3.195 50 40 DGGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1C[C@H]2CC[C@@H]1C2 36499639 ANRXFLOWYGRAPO-SENGUPFNSA-N 315.373 3.445 50 40 DGGB N#C/C(=C\c1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)cc1 111960 QVRJVJBMRLLXQN-OQLLNIDSSA-N 319.769 3.384 50 40 DGGB CCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 2484167 JOLZZJCJDHMVKQ-QGZVFWFLSA-N 324.380 3.290 50 40 DGGB Cc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1O 9201543 RXISXMLXGUYEJO-YBFXNURJSA-N 312.369 3.252 50 40 DGGB N#C/C(=C\c1c(F)cccc1F)C(=O)NCCc1ccccc1 3326430 LCQYRPRIPADFNP-SDNWHVSQSA-N 312.319 3.231 50 40 DGGB CC(C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1F 6598478 KOJQWZGBIUALDC-BJMVGYQFSA-N 311.154 3.020 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)c1 16268222 DTILUXVMTKXCAM-DHDCSXOGSA-N 309.369 3.196 50 40 DGGB O=C(CCl)/N=c1/sccn1Cc1cccc2ccccc12 100404773 UWMDLXSQGLERIU-FBMGVBCBSA-N 316.813 3.417 50 40 DGGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@@H]1c1ccc(F)cc1 1620226 YBFSYPCQMYYGRU-QGZVFWFLSA-N 321.355 3.211 50 40 DGGB Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCCCCC1 59515837 KCFOHADGIQNFCU-UHFFFAOYSA-N 321.808 3.413 50 40 DGGB O=C(N/N=C/c1ccc(-c2ccccc2F)o1)c1ccncc1 5561426 FOMLLNRTJBNVSA-RGVLZGJSSA-N 309.300 3.245 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc(F)cc1 409022524 MBPMMSDVXVXXDV-UDWIEESQSA-N 323.327 3.086 50 40 DGGB O=C(N/N=C\c1ccc(Br)cc1)c1ccccc1 33381670 NWTGPWLADWVGMZ-YBEGLDIGSA-N 303.159 3.213 50 40 DGGB Cc1ccc(C)n1/N=C(O)/C(C#N)=C\c1ccc(N(C)C)cc1 38534894 YJKOIKQOCNCCKC-WJDWOHSUSA-N 308.385 3.498 50 40 DGGB C[C@@H]1CCCCN1c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 222532220 ZDMIEQJESMIFNZ-OLZOCXBDSA-N 320.820 3.184 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 3588628 PBTVGYURGIOEKM-OQLLNIDSSA-N 305.305 3.303 50 40 DGGB COc1cccc2cc(C(=O)N/N=C/c3ccc(F)cc3)oc12 408971352 IPTQIUPGTTUXGC-VXLYETTFSA-N 312.300 3.344 50 40 DGGB C[C@@H]1CC=CC[C@@H]1[C@@H]1OC[C@H](COC(CCl)CCl)O1 6183132 LFSDIKGFYKMUGR-VZZFWQQMSA-N 309.233 3.193 50 40 DGGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccccc1F 7985450 YYLJYSYBUQHNAG-DJKKODMXSA-N 308.259 3.191 50 40 DGGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc2ccccc2c1 52410741 AYEDDKSSHXVWOY-YBFXNURJSA-N 306.321 3.015 50 40 DGGB Cc1nnc(NC(=O)CCCC[C@@H]2CCSS2)s1 23627146 MWPMGSYRXQUVEX-SECBINFHSA-N 303.478 3.499 50 40 DGGB biogenic Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 13119803 OIIOPJDJEKVVEW-PDGQHHTCSA-N 319.408 3.284 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 5381608 ZWJSQPFRFDKOFR-VTLGGBRFSA-N 322.364 3.059 50 40 DGGB Cc1ccc2nc(C)c(C(=O)NNc3nc(C)cc(C)n3)cc2c1 14514412 VAKGFKGAWMIVHO-UHFFFAOYSA-N 321.384 3.015 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2ccc(F)cc2)C1(C#N)C#N 4730405 DQGOIWLWWGQISA-PBHICJAKSA-N 318.355 3.419 50 40 DGGB Cn1cccc1CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1 32576888 VFHXRCQZKCIGLO-MFOYZWKCSA-N 310.184 3.025 50 40 DGGB CCOc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1O 3893066 OFPSVSSEAFXWPV-GXDHUFHOSA-N 324.384 3.173 50 40 DGGB Cc1ccc(C(=O)[C@@H](Br)CBr)c(F)c1 306820830 JPSVMYWSQVDLPC-QMMMGPOBSA-N 323.987 3.475 50 40 DGGB N#C/C(=C\Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 44842251 LANIZSMWLRFGAQ-RVDMUPIBSA-N 302.330 3.076 50 40 DGGB C#CCn1c(C)c(/C=N/NC(=O)c2ccc(C)o2)c2ccccc21 583028 SKGNOBLXCQWUSB-UDWIEESQSA-N 319.364 3.248 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)c1c(C)nc2ccccn12 7041524 CGJOJTMRWFQERS-KGENOOAVSA-N 320.396 3.381 50 40 DGGB CCOc1c(Br)cc(C=C(C#N)C#N)cc1OC 3252594 BLGGTQXCMAQTAH-UHFFFAOYSA-N 307.147 3.287 50 40 DGGB O=C(COc1ccc(F)cc1)N/N=C1/CCCc2ccccc21 105514640 BWVPADSOFQWSPL-JZJYNLBNSA-N 312.344 3.061 50 40 DGGB N#CC(C#N)=Cc1ccccc1OCc1ccc(C(=O)O)cc1 197739732 LYNIKYWTPMHXMS-UHFFFAOYSA-N 304.305 3.394 50 40 DGGB Cc1ccc(C)n1/N=C(O)/C(C#N)=C/c1ccc(N(C)C)cc1 96544594 YJKOIKQOCNCCKC-LFIBNONCSA-N 308.385 3.498 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2C)c(OC)c1 493631 XVLARPPJBLEYGV-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB O=C(N/N=C/c1ccc(F)cc1)c1cccc(Br)c1 4603463 PPXRYNOAGCZIPA-RQZCQDPDSA-N 321.149 3.352 50 40 DGGB CC[Sn]1(CC)OO[C@@H](c2ccccc2)O1 195999556 IPFFNSHRERRFKZ-QTPLPEIMSA-M 314.957 3.146 50 40 DGGB CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N1 96316471 DDPGLULWBMIZAR-ZDUSSCGKSA-N 320.439 3.370 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)C2CC2)c(OCCC)c1 5752432 CHGXLTFKZDUANZ-LDADJPATSA-N 304.390 3.124 50 40 DGGB CCc1ccc(/C=N\NC(=O)CCn2cnc3ccccc32)cc1 30743219 UHKIYUNPLBKMPF-BKUYFWCQSA-N 320.396 3.139 50 40 DGGB BrC[C@H](Br)Cc1ccc2c(c1)OCO2 100190835 OUMIAFCYDYHQRL-MRVPVSSYSA-N 321.996 3.116 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ncccc23)cc1 5910875 IZIZKHADWKJJEB-FMIVXFBMSA-N 318.336 3.117 50 40 DGGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccccc1O 46589129 GOQFMVRCWHXIOT-QGOAFFKASA-N 314.410 3.333 50 40 DGGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 6342238 KVKURFDZUQUOTO-SDNWHVSQSA-N 309.344 3.437 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)s1 6209978 YJQBDXJJOHWOQM-XYOKQWHBSA-N 312.350 3.300 50 40 DGGB CCOC(=O)[C@@]1(Br)CCCC[C@H]1Br 1563644 PFKBMFSALPTIHN-VXNVDRBHSA-N 314.017 3.021 50 40 DGGB N#C/C(=C\c1cccc(O)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1 45705292 HNODSFWCTQSZTF-IZZDOVSWSA-N 323.739 3.346 50 40 DGGB NNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 100855456 XVLSVRBIRVXAAJ-MQAIEQDTSA-N 304.821 3.168 50 40 DGGB O=c1[nH]c2cc(Cl)c(Cl)cc2nc1CBr 95919687 VZPIOUWBFUNGNW-UHFFFAOYSA-N 307.962 3.125 50 40 DGGB Cc1cccc(C)c1OCC(=O)N/N=C/C=C/c1ccccc1 3023211 OJWGYKNBKUVAOQ-BDPZUMOYSA-N 308.381 3.498 50 40 DGGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccncc1 159126 JFXLXFTYJYSKPA-GOSISDBHSA-N 309.305 3.087 50 40 DGGB C[C@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)C2 2570351 VWJROIUSFOLGSX-HGNGGELXSA-N 310.029 3.152 50 40 DGGB Cc1ccccc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 357328 QIOGQYVJMWQOSU-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)c([N+](=O)[O-])c1 36137574 RYJQQYLKVJWSDD-MDWZMJQESA-N 323.308 3.155 50 40 DGGB CCn1ncc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1C 17053014 ZCWFARHXSRIDAZ-XYOKQWHBSA-N 314.776 3.411 50 40 DGGB CCCCCC(=C/c1ccccc1)/C=N/NC(=O)C[N+](C)(C)C 1692286 JZTBNRMHHZUUBL-FTUXADHQSA-O 316.469 3.459 50 40 DGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccoc1 32811 ATIGGBDPENIFQH-ZDUSSCGKSA-N 322.299 3.027 50 40 DGGB Cc1nc2ccccn2c1C(=O)N/N=C/C=C/c1ccccc1 6210449 FPYWKLNCUPUYFO-PFPWIQQFSA-N 304.353 3.072 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1CC(C)C 6201844 LILZKDLXDZZGJD-VXLYETTFSA-N 313.401 3.230 50 40 DGGB CC(=O)Oc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 408753064 LDRCZJXBKASXDC-VCHYOVAHSA-N 316.744 3.029 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(C)o2)cc1 408866168 FZWNIPSTEMUHJE-LZYBPNLTSA-N 321.174 3.423 50 40 DGGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(N)=O 101285 WAWLYLJHUAWPFX-YFHOEESVSA-N 306.243 3.358 50 40 DGGB COc1cccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)c1C 9694753 UNIWVEBZBXFXSN-IUTFFREVSA-N 308.381 3.476 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1 3358937 YXVNILOOZGZWLT-UHFFFAOYSA-N 322.286 3.089 50 40 DGGB COc1cccc2cc(C(=O)N/N=C/c3cccs3)oc12 408970263 DWSRZCQZPWEKTN-CXUHLZMHSA-N 300.339 3.267 50 40 DGGB CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2ccc(Cl)cc21 223213475 LEDFYIUIFXVLKG-OAHLLOKOSA-N 321.852 3.356 50 40 DGGB CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 207132548 NZXWCUMKUTZIEY-CQSZACIVSA-N 319.477 3.336 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1 5465123 RSFCZCZFNQLUNI-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB CCOc1ccccc1OCC(=O)N/N=C/C=C\c1ccccc1 20100749 NIRJDRFXRCWRNZ-QRNVODEUSA-N 324.380 3.280 50 40 DGGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 271246 CEGFBOWASHVEIN-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB CC(C)NC(=O)/C(C#N)=C\c1ccc(F)c(Br)c1 6827528 RKSZAOMNZBOJPF-YHYXMXQVSA-N 311.154 3.020 50 40 DGGB CCC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)c(Cl)c1 4402034 OXPZSFLNRLOQSK-CAOOACKPSA-N 316.188 3.224 50 40 DGGB CNc1ccccc1C(=O)N/N=C\c1c(O)ccc2ccccc12 5012029 ZQALNKIFVKHAQU-MTJSOVHGSA-N 319.364 3.351 50 40 DGGB C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccccc1 220560 WTUMBJXMASICAA-CNRHGSOZSA-N 319.364 3.152 50 40 DGGB CO[C@H](C(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1 3153311 IZOXLDVIDVWERR-LZNAANCOSA-N 302.761 3.178 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccccc1)Nc1ccccc12 493844 LCOPTZDEIKPGIY-KRWDZBQOSA-N 311.348 3.145 50 40 DGGB C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1 58660091 WYIKXKDJOOMENK-UDWIEESQSA-N 312.413 3.449 50 40 DGGB C/C(=N\NC(=O)c1csc2c1CCCC2)c1ccc(N)cc1 13322199 MCWXPYGIAUSFQR-YBFXNURJSA-N 313.426 3.363 50 40 DGGB COC(=O)COc1c(C)cc(/C=C(\C#N)c2ccccn2)cc1C 96313940 YCCAIXARYLJDKB-MHWRWJLKSA-N 322.364 3.314 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1O 409252338 XIKLBUQQBUMLQI-KWWJGWKXSA-N 322.364 3.185 50 40 DGGB CCN1c2cc(C)c(/C=N/NC(=O)CC#N)cc2C(C)=CC1(C)C 208514650 GBMDPBNKQVXHAC-CIAFOILYSA-N 324.428 3.381 50 40 DGGB O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2C[C@@H](O)CCl 2281694 YVSQQIJLXCNKOO-NSHDSACASA-N 304.733 3.302 50 40 DGGB CCOC(=O)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1 2355531 IXDRHVNCJYGVNY-UHFFFAOYSA-N 312.369 3.227 50 40 DGGB CCN1c2cc(C)c(/C=N/NC(N)=O)cc2[C@H](C)CC1(C)C 208320227 IQZGMQVFCBPPGX-AINDZBIGSA-N 302.422 3.109 50 40 DGGB CC(C)(C)c1ccc(NC(=O)CCl)c(NC(=O)CCl)c1 163004 CVSUMWXYEGUVMD-UHFFFAOYSA-N 317.216 3.339 50 40 DGGB Cc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 30802379 GGTGQUJAKIPDNV-ZDLGFXPLSA-N 302.761 3.178 50 40 DGGB N#CC1=C(N)SC(N)=C(C#N)C1c1c(Cl)cccc1Cl 198108 YBNSEMWBQMVUAQ-UHFFFAOYSA-N 323.208 3.212 50 40 DGGB CCOc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 52410596 IZZBTKYITHUJEA-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB CCOc1ccc(C(=O)N/N=C(\CC)c2ccccc2O)cc1 15938806 QHJGVFDSAHTKNA-KNTRCKAVSA-N 312.369 3.335 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Cl)s1 4680003 NAPQGXFXALHTHL-LZYBPNLTSA-N 308.790 3.482 50 40 DGGB C[C@@](Cl)(CCl)CS(=O)(=O)c1ccc(Cl)cc1 1672041 MPNJGDGBALUHQN-SNVBAGLBSA-N 301.622 3.350 50 40 DGGB C[C@@H]1C/C(=N/NC(=O)c2ccccc2)Nc2ccccc2N1C 268941 DOLWATWJUVANPI-CYBMUJFWSA-N 308.385 3.070 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)cc1 59333672 YAGLENWBVJRIFX-WJDWOHSUSA-N 324.355 3.400 50 40 DGGB Cc1c(F)cccc1C(=O)[C@@H](Br)CBr 306740601 CHGSBAOHVXCPTK-QMMMGPOBSA-N 323.987 3.475 50 40 DGGB O=C(CSc1cccc2ccccc12)N/N=C/c1ccncc1 4545141 UEDYWXZLYNLADQ-UDWIEESQSA-N 321.405 3.477 50 40 DGGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cccnc1 159137 ZBYWXQPLJLKIOE-SFHVURJKSA-N 309.305 3.087 50 40 DGGB O=C(N/N=C/c1ccc(F)cc1)c1ccccc1-n1cccc1 7889881 QTBIRIKZFQVQSS-DEDYPNTBSA-N 307.328 3.380 50 40 DGGB CCOc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 10475814 DAMPPYAVAGLTNJ-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB C[C@H](Oc1cccc(Cl)c1)C(=O)NN(C)c1ccccc1 13002045 ZVYACYYJTBSTAF-LBPRGKRZSA-N 304.777 3.275 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 6829335 RARJRLPTUUZJLR-FMIVXFBMSA-N 311.272 3.280 50 40 DGGB COc1ccc2c(c1)[C@](C)(c1ccccc1)CC/C2=N/NC(N)=O 31667255 VIVJIWYZBZUTOD-AJNNJPABSA-N 323.396 3.167 50 40 DGGB O=c1c2ccccc2n2c(CCl)nnc2n1C1CCCCC1 139045338 AJULLVALXXHSEN-UHFFFAOYSA-N 316.792 3.288 50 40 DGGB O=C(NCCCl)Nc1c(F)cc(Br)cc1F 95215878 MYXCSEUHFMNISN-UHFFFAOYSA-N 313.529 3.088 50 40 DGGB O=[N+]([O-])c1ccc(OC[C@H](Br)C(F)(F)F)cc1 85134507 ZVIZPMYXWLNILE-QMMMGPOBSA-N 314.057 3.299 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1 354567 DOTSTYRHTQDDPL-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1O 3132039 GGRCNACEULPDHO-CIAFOILYSA-N 316.360 3.408 50 40 DGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c[nH]c2ccccc12 219872 SLEMSYDRKJHOBQ-SRZZPIQSSA-N 321.380 3.314 50 40 DGGB COc1ccccc1OCC(=O)N/N=C1/C[C@H](C)CC(C)(C)C1 8298099 NJWJLDALIHWMQI-ISNHLSKGSA-N 318.417 3.392 50 40 DGGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1F 20247949 MMMCJJKWFGLIHC-HWQJWEFDSA-N 302.374 3.457 50 40 DGGB Cc1cc(C(=O)CCl)c(C)n1C[C@H]1COc2ccccc2O1 3289483 GSFHOSYSNDVKNB-ZDUSSCGKSA-N 319.788 3.366 50 40 DGGB CCOc1cccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1 408587039 DRHOOZVNQZDPOD-DEDYPNTBSA-N 310.397 3.395 50 40 DGGB CC(C)/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccccc1 408692863 XEWYDHJZJFSDNS-RELWKKBWSA-N 313.376 3.414 50 40 DGGB Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/C1CCCCC1 13921925 GMHUZPMWBDPQKH-VCHYOVAHSA-N 321.808 3.269 50 40 DGGB CCN1c2ccc(/C=N/NC(=O)CC#N)cc2[C@H](C)CC1(C)C 208303965 MCENQZCZIXKUIV-HMHKGCENSA-N 312.417 3.162 50 40 DGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(C)c3ccccc23)n1 408812556 PAYNYGRPQWOYTA-NTEUORMPSA-N 304.353 3.239 50 40 DGGB C[C@@H]1CC=CC[C@@H]1[C@@H]1OC[C@@H](COC(CCl)CCl)O1 221836938 LFSDIKGFYKMUGR-RUZUBIRVSA-N 309.233 3.193 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2sccc2C)c1 566343 GYPHMYUMRNYPNK-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB CN(C(=O)CCl)c1nnc(-c2ccc(Cl)cc2)s1 1889031974 QGZCAYWNCAOQNQ-UHFFFAOYSA-N 302.186 3.060 50 40 DGGB CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1C#N 4461666 ABSWXZGZMWHNKU-ZIKJKZHMSA-N 319.364 3.143 50 40 DGGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846190 LPKINYKRPQAVBE-SFHVURJKSA-N 321.380 3.276 50 40 DGGB CCCCOc1ccc(NC(=O)NN=Cc2ccncc2)cc1 27345582 YEPKEYORUOCKAW-UHFFFAOYSA-N 312.373 3.416 50 40 DGGB N#C/C(=C\c1cccc2[nH]ccc12)C(=O)Nc1ccc(O)cc1 61720277 VOIYJTYDAHEVMI-JLHYYAGUSA-N 303.321 3.419 50 40 DGGB CCN1c2ccc(/C=N/NC(=O)CC#N)cc2[C@@H](C)CC1(C)C 223527440 MCENQZCZIXKUIV-DZUMZMOTSA-N 312.417 3.162 50 40 DGGB C/C(=N\NC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1 5517017 AYJNVMGIWDOAFC-LDADJPATSA-N 310.382 3.088 50 40 DGGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C)c1O 8043021 PKICLSFQIIINCA-GIJQJNRQSA-N 302.761 3.426 50 40 DGGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 4964872 XEPUYNCNPCIANN-RGVLZGJSSA-N 321.336 3.051 50 40 DGGB CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)NC(C)(C)C 159778 IPCKBPHFQLCOAA-UHFFFAOYSA-N 317.216 3.070 50 40 DGGB O=C(NNc1nc2c(F)cccc2s1)c1c(F)cccc1F 4121347 KDYOMMPIXPDZPU-UHFFFAOYSA-N 323.299 3.471 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2cccc(F)c2)C1(C#N)C#N 4786339 IWSDVPIJHURQEI-PBHICJAKSA-N 318.355 3.419 50 40 DGGB CC[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223203050 KFRXBHUQQGKMHS-GXFFZTMASA-N 309.841 3.201 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)s1 408541243 FMLYEUJQWLSKQM-WQLSENKSSA-N 312.350 3.300 50 40 DGGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(Br)c1 408805336 ADUVRSXKCNFWEB-QVIVLVACSA-N 307.191 3.271 50 40 DGGB Cc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)s1 814492 PEIFXEPJEWWPJC-CQSZACIVSA-N 300.383 3.180 50 40 DGGB Cc1ccc(SCC(=O)N/N=C/c2ccc(F)cc2)cc1 8515391 ABYYTHHBNYBCBH-VCHYOVAHSA-N 302.374 3.377 50 40 DGGB O=C(NN=C1CCCCCCCCCCC1)C(=O)N1CCCC1 58885675 YVWNXBZZEPFSKH-UHFFFAOYSA-N 321.465 3.386 50 40 DGGB O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=C1CCCCC1 20248963 FVGKSKWIADALGU-UHFFFAOYSA-N 321.402 3.264 50 40 DGGB N#C/C(=C\c1ccco1)C(=O)NCCc1c[nH]c2ccccc12 563940 DUNGGFXCQDFBDP-GXDHUFHOSA-N 305.337 3.027 50 40 DGGB Cc1ccsc1C(=O)[C@@H](Br)CBr 306711991 YMFUTKFGJRNQRI-LURJTMIESA-N 312.026 3.398 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1O 33367086 XVGMPGFXALRMAL-YDRQLGOLSA-N 322.364 3.185 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2)cc1 34736486 FWCWVOFHDTWHEZ-UVTDQMKNSA-N 308.337 3.249 50 40 DGGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(Cl)c1 487168 FARWKNKJSOKOSC-DJKKODMXSA-N 305.740 3.041 50 40 DGGB CC(C)(C)c1ccc(O)c(/C=N\NC(=O)Cc2cccs2)c1 12362669 OYIUKKIRJPMDEJ-WQRHYEAKSA-N 316.426 3.444 50 40 DGGB Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CCCC2)c1Cl 20885161 XMTNDPLYYCWDSA-UHFFFAOYSA-N 321.595 3.284 50 40 DGGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/C[C@H]2CC=C[C@@H]12 36187575 IGSNLPZYAFWPCG-UMJDFUFTSA-N 323.318 3.186 50 40 DGGB N#C/C(=C\c1ccc(Br)cc1)c1nnc2n1CCC2 5258591 ZEDQFHGPTSWYHL-DHZHZOJOSA-N 315.174 3.051 50 40 DGGB CCNC(NCC)=C(C#N)c1nc2cc(Cl)ccc2s1 97103265 OGAYNJMGRYBYKQ-UHFFFAOYSA-N 306.822 3.361 50 40 DGGB COc1cc(Cl)c(/C=N/NC(=O)c2ccccc2)cc1OC 66202204 NMIGKFCMFVOFMC-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB CCOc1ccc(/C(C)=N/NC(=O)COc2ccccc2)cc1 6047914 WRXLWAVKSMMFED-XMHGGMMESA-N 312.369 3.005 50 40 DGGB N#C/C(=C\N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 5489101 GRVPLNRHUHBDBK-NTCAYCPXSA-N 324.833 3.355 50 40 DGGB COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 100039253 PNAAJAGDSYYODD-UHFFFAOYSA-N 318.244 3.466 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(O)c1 408882651 ROTGHZVIZMUJLZ-NTEUORMPSA-N 308.337 3.255 50 40 DGGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccc2ccccc12 409255011 YWTSFLOAXJLSES-ORTNRGLGSA-N 318.376 3.414 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 33756653 DSZRSHVXNCPFAE-GDNBJRDFSA-N 320.348 3.312 50 40 DGGB O=CC1=CC=C[C@H]1c1nc(Cl)c(Br)c(Cl)n1 78582639 RGSBOPYWQSEDFU-ZCFIWIBFSA-N 319.973 3.325 50 40 DGGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 15219372 NIUOVWKEWHHRHM-ATVHPVEESA-N 306.365 3.309 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2c(C)cc(O)cc2O)c(Cl)c1 4815518 CFROJQWWURMWHR-QGMBQPNBSA-N 318.760 3.132 50 40 DGGB NNC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 216792257 XCVUIPUIDBNHOX-UHFFFAOYSA-N 322.151 3.405 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 4587789 NVQHPGOTTFSGEK-AKOHYNGRSA-N 323.352 3.239 50 40 DGGB O=C(NNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 585484 RMGROLOJHZFVEZ-UHFFFAOYSA-N 306.321 3.021 50 40 DGGB Cc1nn(Cc2ccc(C(=O)Cl)o2)c(C)c1Br 6254015 OZGPKPYPSOMWTC-UHFFFAOYSA-N 317.570 3.283 50 40 DGGB COc1cccc(C(=O)N/N=C/c2c(F)cccc2Cl)c1 6794041 ZRJKLOAPQDSTCP-GIJQJNRQSA-N 306.724 3.252 50 40 DGGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C1CCCCC1 4603920 SZBNODICNUNWKA-XSFVSMFZSA-N 315.417 3.396 50 40 DGGB C[C@@H]1C/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)CC(C)(C)C1 5786157 ZAMPSNTUFPSGHD-VYAYKVNOSA-N 316.401 3.145 50 40 DGGB Cc1cc(C(=O)N/N=C\c2ccc(Br)cc2)c(C)o1 30719006 XHDKSBVKAPLTSI-PXNMLYILSA-N 321.174 3.423 50 40 DGGB O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 1569436 ASYXXAOFKKWNBR-UHFFFAOYSA-N 308.312 3.054 50 40 DGGB N#CC1=C(c2ccccc2)NN[C@@H](c2ccc(Cl)cc2)CC1=O 1620228 KSNQKILBMGAVMP-MRXNPFEDSA-N 323.783 3.383 50 40 DGGB O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)C1CC1 3432129 GXCZTGXQMMCCPS-LZYBPNLTSA-N 320.805 3.400 50 40 DGGB CCOc1ccccc1/C=N/NC(=O)/C=C/c1ccc(OC)cc1 409068275 LAUSTGJOMDFQEV-IKVNRTJKSA-N 324.380 3.257 50 40 DGGB NNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 38296214 MNEGZEJTFZVUDN-UHFFFAOYSA-N 310.184 3.269 50 40 DGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(F)s1 252489872 KDGRLIKFJFQJCB-FRKPEAEDSA-N 312.753 3.070 50 40 DGGB C[C@@H](Br)C(Br)[C@@H](C)Br 2507447 RPIBEEJRQGZXAZ-QWWZWVQMSA-N 308.839 3.317 50 40 DGGB C[C@H]1CCCCN1c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 57328146 ZDMIEQJESMIFNZ-QWHCGFSZSA-N 320.820 3.184 50 40 DGGB C[C@@H](Br)C(=O)N1CCC(Cc2ccccc2)CC1 41705402 ULNMYTXCSJCEKN-GFCCVEGCSA-N 310.235 3.251 50 40 DGGB CCOc1ccc(C(=O)N/N=C/c2cccc(OCC)c2)cc1 20764415 ZDBKNZCPUHLCNN-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1 5527409 DIJJRKLQODHMGI-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc[nH]1 4953999 XQJCBSQYXUTYSZ-NFDWGTCTSA-N 301.415 3.355 50 40 DGGB O=C(COc1ccccc1)N/N=C/c1c(F)cccc1Cl 5947447 MOQCMFAXWOQZSA-GIJQJNRQSA-N 306.724 3.008 50 40 DGGB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CCl 159931 OEKQSDGOAWPMAY-UHFFFAOYSA-N 309.774 3.379 50 40 DGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccco1 27832 UFIYCVNLUJURHO-FRKPEAEDSA-N 313.140 3.116 50 40 DGGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(C)o2)cc1 10475909 YSHFGBPGGPCJHK-QGOAFFKASA-N 300.358 3.070 50 40 DGGB COC(=O)/C(C#N)=C1/C=C(c2ccccc2)Oc2ccc(O)cc21 1789868 ADGUNTQFLWEWCG-PEZBUJJGSA-N 319.316 3.276 50 40 DGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccsc3)cc2C1 24309508 ZKYAZZCADHRJBL-SECBINFHSA-N 320.439 3.009 50 40 DGGB CO[C@@H](C(=O)N/N=C(\C)CCc1ccccc1)c1ccccc1 408781272 BCNSXDODSNTHBT-KETZHDHUSA-N 310.397 3.499 50 40 DGGB O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1ccccc1Br 1001890 ULIQFSGKYRMOLZ-VNYNTLFPSA-N 307.191 3.355 50 40 DGGB Cc1cccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-] 1636822 PTBGNDTVMGRZJY-UHFFFAOYSA-N 306.213 3.327 50 40 DGGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1O 68732116 XOEQKAJRBLGDSL-ODLFYWEKSA-N 324.336 3.301 50 40 DGGB O=C(CBr)c1cc(Br)cc(F)c1F 258830699 HTZVSWDVPDQQOV-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB Cc1ccsc1/C=N/NC(=O)CSCc1ccccc1 58915521 CTVLOGASCWQTJE-CXUHLZMHSA-N 304.440 3.440 50 40 DGGB O=C(NNC(=O)c1cc(-c2ccccc2)cs1)c1ccco1 8328067 HSEVGKAROPZKPI-UHFFFAOYSA-N 312.350 3.083 50 40 DGGB Cn1c(/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)nc2ccccc21 103481699 XBCBSYFHHYBPJS-WQLSENKSSA-N 320.308 3.251 50 40 DGGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 6468169 JBILSRBQBSADGM-APCBGKFJSA-N 313.357 3.197 50 40 DGGB O=C1OC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]12 68576715 QBTDNXVTAHQRRU-XMTFNYHQSA-N 304.345 3.440 50 40 DGGB N#C/C(=C\c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1 408581287 VZOOLOVBOGXAJE-RIYZIHGNSA-N 312.756 3.268 50 40 DGGB NNC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226236000 LSAOVKHFMUQMJH-UHFFFAOYSA-N 321.167 3.140 50 40 DGGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 45163922 RBBALVSCNMVOGT-ZROIWOOFSA-N 313.788 3.401 50 40 DGGB CC(C)(C)OC(=O)N/N=C/c1ccc(Br)s1 5481436 YRUQQMGMOWBTEA-WUXMJOGZSA-N 305.197 3.369 50 40 DGGB CC(C)N(C(=O)CCl)[C@@H]1CCCN(Cc2ccccc2)C1 79393737 OOUSTUBRGWCJNN-MRXNPFEDSA-N 308.853 3.127 50 40 DGGB C[Si](C)(CBr)O[Si](C)(C)CBr 195764080 UPKHMNVQWIFQBW-UHFFFAOYSA-N 320.173 3.281 50 40 DGGB O=C(CCl)N1N=C(/C=C/c2ccco2)C[C@@H]1c1ccco1 7986277 UNTPLLJVRWOSIV-URWSZGRFSA-N 304.733 3.454 50 40 DGGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)cc1C 59472493 VQDDGLVORVDGHV-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 5381615 ZWJSQPFRFDKOFR-AHQHQLSQSA-N 322.364 3.059 50 40 DGGB CCN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 4864961 HRGZIBYEALVNND-LGMDPLHJSA-N 314.348 3.364 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCO2)Cn1cnc2ccccc21 408691938 ZCZWDLFWGSJPTH-AUWJEWJLSA-N 303.321 3.372 50 40 DGGB Cc1cc2c(cc1/C=N/NC(=O)CC#N)[C@H](C)CC(C)(C)N2C 208217057 VFAMXZKSXINGLU-AYPRBGQRSA-N 312.417 3.081 50 40 DGGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(OCC)cc1 4402109 IQCRHLQYGCOTSG-CPNJWEJPSA-N 319.405 3.096 50 40 DGGB Cc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 102595217 WQCKQRAGIYUUTD-YSDQTKNFSA-N 301.346 3.055 50 40 DGGB C[C@H](NC(=O)CBr)C12CC3CC(CC(C3)C1)C2 59642107 MVDIVSWZHGWOFF-BRZBPJHZSA-N 300.240 3.102 50 40 DGGB CC[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccncc1 27397204 JQTXMZKGDIIRER-SKCQWOFPSA-N 316.792 3.076 50 40 DGGB Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)n(C)n1 59735793 NPGFIEINXOENQM-UHFFFAOYSA-N 320.396 3.080 50 40 DGGB CC(C)C(=O)OC(C)(C)[C@@H](Br)CBr 5452626 NLMURQMFDXYQRF-ZETCQYMHSA-N 316.033 3.123 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 5310713 OSZRQHWWAYANRE-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB N#C/C(=C\c1ccc(F)c(F)c1)c1nnc2n1CCCCC2 7748254 FLGCOFIYQNYELL-XYOKQWHBSA-N 300.312 3.347 50 40 DGGB CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1C 17066414 VGUAMXWKHJXFIG-GXDHUFHOSA-N 324.384 3.074 50 40 DGGB Cn1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc21 408873625 TZYRFICDCMLHLR-QLYNWLFQSA-N 309.413 3.455 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C/c1c(F)cccc1Cl 5549244 LZMUIWIZRRFFKS-DJKKODMXSA-N 320.751 3.317 50 40 DGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)cc1 208350285 NYBSYPPJOLVRQU-KAMYIIQDSA-N 308.337 3.337 50 40 DGGB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC=C(C#N)C#N)C1 32585153 XAMJXLNUCGHYDY-ZIAGYGMSSA-N 308.385 3.148 50 40 DGGB O=C(CCC(=O)Nc1ccccc1Cl)NN=C1CCCC1 358416 XMWFIGAJLBTFRR-UHFFFAOYSA-N 307.781 3.105 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCC#N 6441213 JUZVOHDGCLDRTQ-LFIBNONCSA-N 318.332 3.387 50 40 DGGB O=[P@@]1(N(CCCl)CCCl)NCc2ccccc2N1 100993006 XXGFHIZVEQQLAR-SFHVURJKSA-N 308.149 3.089 50 40 DGGB N#C/C(=C/c1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 96931620 UQKSGJLJJRDKLZ-KAMYIIQDSA-N 314.352 3.262 50 40 DGGB Cc1cccc(OCC(=O)N/N=C\c2cccc(Cl)c2)c1C 30838720 VXOJZTARJGLOER-GRSHGNNSSA-N 316.788 3.486 50 40 DGGB CCCC[C@@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C 260619391 KTRFOFVJPHDKSI-CJNGLKHVSA-N 303.450 3.328 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Cl)s2)c(F)c1 37661 OUVCERIXRDHXRN-REZTVBANSA-N 307.737 3.176 50 40 DGGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1 143981 SQVFWXCAJMVQRY-FMIVXFBMSA-N 311.366 3.252 50 40 DGGB N#CC(C#N)=C(NCc1ccc(Cl)nc1)Nc1ccccc1 97476 ZZMRWMZKHFVSRT-UHFFFAOYSA-N 309.760 3.195 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 284872 HPPCHEBOSLGNRL-FMIVXFBMSA-N 312.281 3.325 50 40 DGGB COc1ccccc1/C=N/NC(=O)CSc1ccc(C)cc1 8515621 WXRMLFGHRAOHII-WOJGMQOQSA-N 314.410 3.246 50 40 DGGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 3363970 JKRPJOVYYZNJOR-CAOOACKPSA-N 309.152 3.463 50 40 DGGB Cc1cc2c3c(c1)C(CBr)=CC(C)(C)N3C(=O)C2=O 72417589 KHIQTZXFBHXGCE-UHFFFAOYSA-N 320.186 3.095 50 40 DGGB Cc1cc(Br)cc(C(=O)[C@H](C)Br)c1O 5540181 DHQJONLUKZQFGM-LURJTMIESA-N 321.996 3.429 50 40 DGGB N#C/C(=C\[C@@H]1CCC[C@@H]([N+](=O)[O-])C1)C1CCC([N+](=O)[O-])CC1 5328208 SKMLWKVLVSMLDJ-PMWNAHRESA-N 307.350 3.107 50 40 DGGB CC(C)=C[C@@]1(C)NC(=O)C(C#N)=C(S)N1c1ccc(C)cc1 4513993 KLUYWZRUBRTDAJ-KRWDZBQOSA-N 313.426 3.279 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] 5602141 WTGZNJVIGDBNMS-NVFQBTRGSA-N 315.373 3.180 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1cccs1)Nc1ccccc12 495494 IXVLKFPDEYNBBG-HNNXBMFYSA-N 317.377 3.206 50 40 DGGB CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H](CO)CCCCl 88365538 QXNMWPIIBNGZMI-MNOVXSKESA-N 320.821 3.208 50 40 DGGB in-vitro CS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(-c2ccccc2)cc1 96517752 KBNVCBPPMBEABL-OAHLLOKOSA-N 308.786 3.146 50 40 DGGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 343139 CASHTCPJORFQRN-RQZCQDPDSA-N 320.801 3.288 50 40 DGGB O=C(N/N=C/c1ccco1)c1cc(C2CC2)nc2ccccc12 547321 VYXQZRMOWUMJJU-YBFXNURJSA-N 305.337 3.469 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1 5586315 GKQJNNSODNFXKR-XDHOZWIPSA-N 307.353 3.263 50 40 DGGB C#CCOc1c(Br)cc(/C=C/C#N)cc1OCC 6350927 DZEBKNGFDLQGPT-AATRIKPKSA-N 306.159 3.397 50 40 DGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)c(C)c1 58927072 DHERODVJTFVGPJ-RGVLZGJSSA-N 308.385 3.075 50 40 DGGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(C)C 567465 ZYZYHFARURMGHC-LICLKQGHSA-N 318.398 3.308 50 40 DGGB COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3ccco3)C2)cc1 3887481 MHGLKEKELZAXEZ-CQSZACIVSA-N 318.760 3.205 50 40 DGGB Cc1ccc(NC(=O)CCCl)c(NC(=O)CCCl)c1 6272139 ZXFAUNSQCGHFBF-UHFFFAOYSA-N 303.189 3.130 50 40 DGGB CN(C)CC(C)(C)CNC(=O)CCCC[C@H]1CCSS1 41951222 BVKUECCGNYNAOB-ZDUSSCGKSA-N 318.552 3.405 50 40 DGGB N#C/C(=C\c1ccco1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408899558 QICPAFBBYYEPGE-RMKNXTFCSA-N 317.688 3.387 50 40 DGGB O=C(CCl)c1ccc(CCNC(=O)c2ccccc2)cc1 41181198 KUDVSDCFJJPLGS-UHFFFAOYSA-N 301.773 3.081 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2cccc(Cl)c2)o1 126273 WPXXZEZPPZWISF-LBFZPMSMSA-N 305.765 3.192 50 40 DGGB CC(C)=NNC(=O)CSCc1ccccc1Br 5283323 BUOWGVZQSFQZDR-UHFFFAOYSA-N 315.236 3.194 50 40 DGGB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3CC[C@@H]2[C@@H]3Cl)cc1 100017794 BIUHZYBFROEDBT-DOERSZECSA-N 300.807 3.106 50 40 DGGB COc1ccccc1C(=O)N/N=C\c1c(C)n(C)c2ccccc12 408844912 JCANJYLBCHDDIR-NDENLUEZSA-N 321.380 3.259 50 40 DGGB CCN(CC)P(=O)(NC(=O)c1ccccc1)N(CC)CC 33353035 YBMPXYCMMKTHGC-UHFFFAOYSA-N 311.366 3.208 50 40 DGGB CC(/C=C/c1ccco1)=N\NC(=O)COc1c(C)cccc1C 4587388 NFRGOYOMRYZRDK-DJKNXTBSSA-N 312.369 3.481 50 40 DGGB COc1ccc(OC)c(/C=N\NC(=O)c2cc3ccccc3o2)c1 33309562 RPVWPKHLSLAYKR-ODLFYWEKSA-N 324.336 3.214 50 40 DGGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2)c1 59432724 LRSVUMMFQHGBLM-GXDHUFHOSA-N 308.337 3.249 50 40 DGGB O=C(N/N=C/c1ccncc1)c1cc(C2CC2)nc2ccccc12 184280 UTCABZOXZJNVMG-CIAFOILYSA-N 316.364 3.271 50 40 DGGB CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCCCC2)cc1 341740 ASEYPLZJSGYSST-UHFFFAOYSA-N 302.418 3.325 50 40 DGGB COc1ccc(/N=C(O)/C(C#N)=C/c2ccncc2)c([N+](=O)[O-])c1 4550079 PNNSDZAREJBLPB-XYOKQWHBSA-N 324.296 3.194 50 40 DGGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@H]1COc2ccccc2O1 5288840 NTYJVVPBPVQPRZ-JDTWRWGPSA-N 322.364 3.032 50 40 DGGB Cc1cc(C(=O)NNC(=O)/C=C/c2ccccc2Cl)c(C)o1 6436546 AERHQEMILFBYIC-BQYQJAHWSA-N 318.760 3.024 50 40 DGGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)[C@H]1CCCO1 43972064 AKWRPWUUEXBLNW-NGBUCDROSA-N 304.434 3.264 50 40 DGGB Cc1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Nc2ccccc23)o1 492341 VJFUJFKTMSTUPR-MRXNPFEDSA-N 315.336 3.046 50 40 DGGB C/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1cccs1 4393966 CSJCYGZZGXHZGG-LDADJPATSA-N 315.398 3.007 50 40 DGGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1ccccc1 4691377 ANULSDIWNWMESF-CAOOACKPSA-N 309.152 3.463 50 40 DGGB N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)NC1CC1 17699132 UBTBPGYUEUOAQT-JXMROGBWSA-N 312.316 3.484 50 40 DGGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3sccc3C)n2c1 408978313 HZUMUVADFBCBRI-CAOOACKPSA-N 312.398 3.085 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1O 5069422 QBBJPPMIRUKLHS-SWKXHUPFSA-N 314.385 3.003 50 40 DGGB C[C@@H](Cl)C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 8733156 ARNNRSREVSJNCQ-LLVKDONJSA-N 310.825 3.056 50 40 DGGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc2ccccc2c1 52410943 PYYVADYPSLHJPX-YBFXNURJSA-N 306.321 3.015 50 40 DGGB CCN1CCC[C@@H]1CNC(=O)CCCC[C@@H]1CCSS1 42037033 ROFNCWBUKFALJH-ZIAGYGMSSA-N 316.536 3.301 50 40 DGGB biogenic COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 5446947 JBHFWOLVTAMYGZ-JLHYYAGUSA-N 323.308 3.149 50 40 DGGB N#C/C(=C/c1cccc(F)c1)C(=O)Nc1cccc(C(=O)O)c1 408540969 AEMBQJNTEUCUHI-QPEQYQDCSA-N 310.284 3.070 50 40 DGGB CC[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260619360 KFRXBHUQQGKMHS-ZWNOBZJWSA-N 309.841 3.201 50 40 DGGB Cc1cccc(OCC(=O)N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)c1 585139619 SJRYXBTVTUPNSS-JVYQZZMCSA-N 312.413 3.468 50 40 DGGB C[C@@H]1C/C(=N\NC(=O)Cc2cn3ccsc3n2)CC(C)(C)C1 33044103 GUYBAIQARVOCGG-UCXYNXEWSA-N 318.446 3.257 50 40 DGGB C/C(=N/NC(=O)COc1ccc(C)cc1)c1ccc2c(c1)CCC2 17143518 JRFMMRXFZJYQGD-QNGOZBTKSA-N 322.408 3.403 50 40 DGGB Cc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c(C)c1 370346 FIMAZZPSKRPBJT-CIAFOILYSA-N 305.381 3.478 50 40 DGGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)c1cccs1 492023 ITOZOVPOCUEPDD-ZHACJKMWSA-N 322.389 3.376 50 40 DGGB N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c1cccc2[N+](=O)[O-] 3112813 YKQMEHWBXHAWLY-UHFFFAOYSA-N 318.248 3.332 50 40 DGGB COc1ccccc1C(=O)Nc1ccccc1NC(=O)CCl 44831491 BIDOVDJSXLAVLR-UHFFFAOYSA-N 318.760 3.125 50 40 DGGB NNC(=O)COc1ccccc1CSc1ccc(Cl)cc1 148824 OZJNLFBIXACHOQ-UHFFFAOYSA-N 322.817 3.001 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cc3ccccc3o2)c1OC 507309 YYERFGXYCAJZQS-YBFXNURJSA-N 324.336 3.214 50 40 DGGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1ccco1 13113587 QQNNSUXURGNCIU-JXTNESPGSA-N 319.158 3.431 50 40 DGGB O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F 6938503 WVLNTYTWIPYFIH-UHFFFAOYSA-N 308.244 3.022 50 40 DGGB Cc1ccc(C(=O)NNc2oc(-c3ccccc3)nc2C#N)cc1 35681826 AIAMBWCKLPPNHA-UHFFFAOYSA-N 318.336 3.279 50 40 DGGB CSCC[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 5045029 UICRWRPTIDKAPK-MRVPVSSYSA-N 318.427 3.061 50 40 DGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2C)c1 6959948 VGWLCJVHYQCXTO-DEDYPNTBSA-N 309.369 3.107 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccccc1OCC 58885834 PFCPTRNTVBKNKA-UHFFFAOYSA-N 319.405 3.096 50 40 DGGB O=C(N/N=C1/C[C@@H]2CC=C[C@H]12)c1ccc(Br)cc1 13140280 JNQAKOOKMZFIKF-ANWMDLNMSA-N 305.175 3.131 50 40 DGGB COc1cccc(CC(=O)N/N=C\c2ccc(Cl)s2)c1 408967453 RSLNQJMSZKJAJK-SXGWCWSVSA-N 308.790 3.103 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2cc(C)ccc2C(C)=CC1(C)C 223220221 NJZOHNYAACBJFN-HNNXBMFYSA-N 301.434 3.156 50 40 DGGB O=C1c2ccc(Br)cc2CC[C@@H]1Br 95933680 VKVRCPKKIPKZNV-VIFPVBQESA-N 303.981 3.342 50 40 DGGB Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2cccs2)c1 93901 JUUCJQFTSNXGKF-VZWMTCDZSA-N 302.399 3.283 50 40 DGGB CCCCc1sc(/C=C(\C#N)C(=O)OCC)cc1[N+](=O)[O-] 5707979 ARUURXJPNBZTSX-JXMROGBWSA-N 308.359 3.469 50 40 DGGB CC[C@@H](Nc1ccc(C)cc1C)C(=O)N/N=C/c1cccc(C)n1 370287 LTHLNXMCXUAVBU-XNHPLOEXSA-N 324.428 3.348 50 40 DGGB CCOC(=O)CSC(=N)/C(C#N)=C\c1c[nH]c2ccccc12 5024722 GAIXOYPLAKOBHV-VVZDLDFRSA-N 313.382 3.348 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 5381625 XDZPYURXOUIULQ-AKLVUOHOSA-N 323.352 3.239 50 40 DGGB Cc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408960969 KMKRIOFHHASHQS-VCHYOVAHSA-N 323.308 3.413 50 40 DGGB O=C(CS[C@H]1CCc2ccccc21)N/N=C\c1ccco1 5664994 SVDDYYFSXGNVMR-HAKPAVFJSA-N 300.383 3.150 50 40 DGGB CC(C)COc1ccccc1/C=N\NC(=O)c1ccccc1O 169886714 CDBNITRBPMDETE-ODLFYWEKSA-N 312.369 3.191 50 40 DGGB C[C@@](Br)(C(=O)O)[C@H](Br)c1ccccc1 1755192 TWPSWLFBYHEOGG-SCZZXKLOSA-N 321.996 3.361 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1 44028914 GQXZRXDTGGYCOI-VGOFMYFVSA-N 307.305 3.214 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1ccccc1O 13286320 JSRVTGDIWJFHMP-MOSHPQCFSA-N 323.396 3.065 50 40 DGGB N#CC(C#N)=C1[C@@H](Br)CCC[C@H]1Br 6361456 ROJAOXRYNBBLKF-OCAPTIKFSA-N 303.985 3.041 50 40 DGGB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CCl)cc1 9738589 AYXPPPQHHAFAFB-UHFFFAOYSA-N 317.776 3.152 50 40 DGGB NNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 85345087 XVLSVRBIRVXAAJ-GKUGFIGPSA-N 304.821 3.168 50 40 DGGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 408768914 LVUNOOZLYBFQMA-VCHYOVAHSA-N 316.744 3.029 50 40 DGGB O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccccc1 231495 HPVISDBROBVDBL-UHFFFAOYSA-N 321.336 3.012 50 40 DGGB O=[P@]1(N(CCCl)CCCl)OCC[C@@H]2CCCCN21 105084910 LBHRYWZOYQOZFA-BBATYDOGSA-N 315.181 3.149 50 40 DGGB O=C(CCl)Nc1ccccc1C(=O)Nc1ccc(F)cc1 8264202 RAORQZBJKXWLQP-UHFFFAOYSA-N 306.724 3.255 50 40 DGGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2)o1 409008287 VGBVGNYFWGEYCR-UDWIEESQSA-N 305.337 3.293 50 40 DGGB C[C@@H](N1C[C@H](C(=O)Cl)CC1=O)C12CC3CC(CC(C3)C1)C2 45957988 VWPBHYNPLHQECW-ZJWDHLRQSA-N 309.837 3.205 50 40 DGGB N#CC1=C(N)Oc2onc(-c3ccccc3)c2[C@@H]1c1ccco1 6530244 IFCAFSIKTUKKAY-ZDUSSCGKSA-N 305.293 3.153 50 40 DGGB C[C@@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CBr 100011751 DCDNKSJBRIJYEC-KHUVANEUSA-N 310.029 3.150 50 40 DGGB Cc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1 579305 NOZDWMYGSUBAEE-UHFFFAOYSA-N 304.349 3.223 50 40 DGGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1cccc(C#N)c1 107574454 XFZSCTHWKRHDPB-PXNMLYILSA-N 304.305 3.086 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 57787862 HVJJKOAEEWVFRK-UFFVCSGVSA-N 317.270 3.341 50 40 DGGB CCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 23723716 VUWYRCRHBSMKLX-RVDMUPIBSA-N 310.353 3.292 50 40 DGGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cccs1 5680363 SGRCZRSHSKCCPL-KNTRCKAVSA-N 307.378 3.326 50 40 DGGB Cn1cc(C=NNC(=O)c2c[nH]c3ccccc23)c2ccccc21 252679603 OUZXXCIDPGMJSI-UHFFFAOYSA-N 316.364 3.424 50 40 DGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1cccnc1 59473069 MEQOUASAOVWPIF-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB C/C(=N/NC(=O)c1cccc2ccccc12)c1ccc(O)cc1O 102235456 LTTGOPRQVKYBAO-NDENLUEZSA-N 320.348 3.405 50 40 DGGB Nc1ccc(C(=O)NN=C2c3ccccc3-c3ccccc32)cc1 3136113 FLHZGSQHWKWDOJ-UHFFFAOYSA-N 313.360 3.432 50 40 DGGB N#C/C(=C/c1cccc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1 409219401 PZGZHTDICNUOCJ-WQLSENKSSA-N 311.253 3.273 50 40 DGGB CC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223202170 RMZWIJJQVXNNSY-HNNXBMFYSA-N 301.434 3.074 50 40 DGGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccco1 131622 JCUKXACQHMVKGJ-HCZVKUGISA-N 307.353 3.384 50 40 DGGB CCCCOC(=O)c1ccc(N/C=C(\C#N)C(=O)OCC)cc1 7697337 ILDZYGSSKJYCCZ-WYMLVPIESA-N 316.357 3.026 50 40 DGGB C/C(Cc1ccccc1)=N/NC(=O)COc1ccc(Cl)cc1 6360724 SOEIVMTYHGTCMT-UYRXBGFRSA-N 316.788 3.454 50 40 DGGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 30922290 BVTHYDVGGHKZAS-YVLHZVERSA-N 309.281 3.105 50 40 DGGB CC(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 3089732 OKMRDKKMYUKNKI-ULKOKDFMSA-N 307.353 3.074 50 40 DGGB CCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl 1576978 PXDROCOEYXYTLB-SCZZXKLOSA-N 304.645 3.193 50 40 DGGB CN(C)c1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1 1735351 NBCALROBQUUTLB-WOJGMQOQSA-N 301.777 3.170 50 40 DGGB O=C(Nc1nncs1)NN(c1ccccc1)c1ccccc1 43129146 UULLACKFFBOZAC-UHFFFAOYSA-N 311.370 3.413 50 40 DGGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cccs1 4592644 MHNBRVXCPVOTPT-NMNODTAGSA-N 314.366 3.296 50 40 DGGB Cn1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409251014 NUQXHUBGYVYWCF-JAIQZWGSSA-N 309.344 3.010 50 40 DGGB C/C(CC(C)C)=N/NC(=O)c1nn(C)c(C(F)(F)F)c1Cl 6387522 LWUIPCHJYHMVJW-IDUWFGFVSA-N 324.734 3.244 50 40 DGGB O=C(NN=C1CCN(C2CCCCC2)CC1)NC1CCCC1 65671975 MMZHIRJQKSNGSK-UHFFFAOYSA-N 306.454 3.013 50 40 DGGB CC/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1O 4646844 ZGJOUBATFGLNQQ-OVNPUMINSA-N 308.381 3.426 50 40 DGGB Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 6223469 JYZKSFGGNRDTJF-WQLSENKSSA-N 312.350 3.300 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2)c(OC)c1 106109098 ZIPMHCMNROOJTC-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB N#CC(C#N)=Cc1ccc(OC(=O)COc2ccccc2)cc1 3205239 AMLCLJPZULOLEE-UHFFFAOYSA-N 304.305 3.102 50 40 DGGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408797167 BMKUQYYMEUDHSH-JOTCQTJXSA-N 312.369 3.017 50 40 DGGB Cc1c(/C=N/NC(=O)Cc2cccs2)c2ccccc2n1C 4045416 UUIGFAKUTXRVRJ-WOJGMQOQSA-N 311.410 3.241 50 40 DGGB CC(C)(Oc1ccc(Br)cc1)C(=O)N=C=S 70461497 FUHALGWYINJIBD-UHFFFAOYSA-N 300.177 3.236 50 40 DGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2)c1 581967 MBRALQJAEATZTH-VCHYOVAHSA-N 315.760 3.062 50 40 DGGB N#C/C(=C\c1ccco1)c1nnc(NC(=O)c2ccccc2)s1 5772850 GFKZFJUTZLKABF-FMIVXFBMSA-N 322.349 3.448 50 40 DGGB COc1cccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1 4977494 GLYMHDZFXZDYTA-KEBDBYFISA-N 322.286 3.478 50 40 DGGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(N)=S)o1 34808043 OQDWGVAQFRDOSM-XFFZJAGNSA-N 312.350 3.146 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/c2cccc(Cl)c2)c1 60190 YVESQSVBGXATHW-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB O=C(CNc1cccc(Br)c1)NN=C1CCCCC1 50581 OGGBENVKVKEVEO-UHFFFAOYSA-N 324.222 3.297 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)o1 2751845 UFOIRCCCJUUZOK-LBFZPMSMSA-N 306.749 3.159 50 40 DGGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc1 409361194 AMNZKUBIOMQJOZ-ZHZULCJRSA-N 310.397 3.341 50 40 DGGB CN(C)C1CCC(/C=C(\C#N)C2CCC([N+](=O)[O-])CC2)CC1 1735311 QGSRCEFRUDMEFQ-RVDMUPIBSA-N 305.422 3.392 50 40 DGGB CCN(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1 242750716 ZWUKEVFSFIVNSI-WKILWMFISA-N 308.853 3.175 50 40 DGGB C/C(=N/NC(=O)c1ccco1)c1cccc(Br)c1 231303 WAAVDMJCVDYNDL-DHDCSXOGSA-N 307.147 3.196 50 40 DGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccnc1 492359 PSVSFIOZLOQBKQ-UDWIEESQSA-N 305.337 3.007 50 40 DGGB Cc1ccc2c(c1)cc([Si](C)(C)O)n2C(=O)OC(C)(C)C 170029859 PKPOEQFXRLZUGT-UHFFFAOYSA-N 305.450 3.137 50 40 DGGB COc1ccc(OC)c(-c2csc(NC(=O)CCl)n2)c1 3278138 VTOORQMYSUAQLB-UHFFFAOYSA-N 312.778 3.005 50 40 DGGB CCCCCCOc1ccc(/C=C(\C#N)C(N)=O)cc1OC 1779989 VJWHOHJHRUAXON-GXDHUFHOSA-N 302.374 3.047 50 40 DGGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccncc1 485209 GXKJLLDUNFMITN-UDWIEESQSA-N 305.337 3.007 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)o1 3022935 FJBZJCPJGNQPEF-CAOOACKPSA-N 306.749 3.079 50 40 DGGB COCCCNC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1 16790714 LQMMAZRWXNSVFG-XFFZJAGNSA-N 313.184 3.053 50 40 DGGB COc1ccc(-c2csc(NC(=O)CCl)n2)c(OC)c1 3279381 XZJLBJDCLPUMNG-UHFFFAOYSA-N 312.778 3.005 50 40 DGGB in-vitro Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccccn1 409245583 WDGOGRCFKCYPLO-ODLFYWEKSA-N 324.409 3.315 50 40 DGGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccccn1 13942403 OIYZQIRWGXYFRB-NDENLUEZSA-N 305.337 3.007 50 40 DGGB COc1cc(/C=N\NC(C)=O)ccc1OC/C=C/c1ccccc1 32578345 XIILXFUVGDIQTF-RKXDMJPUSA-N 324.380 3.257 50 40 DGGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 2632094 GPULDWFLYUTLJP-LCYFTJDESA-N 310.284 3.070 50 40 DGGB C/C(=N\NC(=O)[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o1 98054898 PKIMHOXGILPOLG-YRUBURHZSA-N 306.749 3.105 50 40 DGGB COc1ccc2c(C(=O)[C@@H](C)CBr)cn(C)c2c1 34925373 GPRZMXNBNAEJAG-VIFPVBQESA-N 310.191 3.401 50 40 DGGB O=C(N/N=C/c1ccsc1)c1ccccc1Br 5678970 ZNBALZMYGHKFLP-VGOFMYFVSA-N 309.188 3.275 50 40 DGGB COc1ccc(-c2nc3ccccn3c2NC(=O)CCl)cc1 16806054 PLXOYOVSDMASNX-UHFFFAOYSA-N 315.760 3.187 50 40 DGGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(O)cc1 12403597 OZIAJPHHGJIXKB-UDWIEESQSA-N 320.348 3.405 50 40 DGGB CCC[C@H](C(=O)OCC)/C(C)=N/NC(=O)Nc1ccccc1 4550845 HYWJZUUGPRDZPR-QCUKBLKESA-N 305.378 3.163 50 40 DGGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cccnc1 1028397 PZSIBSPVDQBPIU-UDWIEESQSA-N 305.337 3.007 50 40 DGGB COC(=O)CCc1ccc(CN(CCCl)CCCl)cc1 1681623 QENOFVGQXAATEA-UHFFFAOYSA-N 318.244 3.072 50 40 DGGB CCC(CC)=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1 20249015 GBVJEHWWLHBHAA-UHFFFAOYSA-N 309.391 3.120 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Nc2ccccc2)cc1OC 8111316 FDLTYNBQFOLHBL-XDHOZWIPSA-N 313.357 3.250 50 40 DGGB N#C/C(=C/c1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 3338643 SARYXXDIDHTQJK-FLIBITNWSA-N 312.350 3.065 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)o1 5547614 UFOIRCCCJUUZOK-DTQASYIRSA-N 306.749 3.159 50 40 DGGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)NC1CCCC1 409195490 PZAUHNQBHHAJAG-WZUFQYTHSA-N 318.760 3.034 50 40 DGGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408797169 BMKUQYYMEUDHSH-TYEFIXRYSA-N 312.369 3.017 50 40 DGGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408760006 PVRNZJYHXDGRMX-RVDMUPIBSA-N 306.321 3.158 50 40 DGGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccc2ccccc12 409255007 YWTSFLOAXJLSES-KNGGAZFVSA-N 318.376 3.414 50 40 DGGB N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(C(=O)O)c1 6473516 KNLXUGBASMHNNP-JYRVWZFOSA-N 310.284 3.070 50 40 DGGB COC(=O)/C(C#N)=C/c1nc2ccccc2n1Cc1ccccc1 41146181 YQXXNCGOKGRNBT-RVDMUPIBSA-N 317.348 3.165 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 4579579 REDAXKHWQYBAMB-QGOAFFKASA-N 311.341 3.333 50 40 DGGB CCn1cccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408967806 SGLJPMIAFQQYPK-VXLYETTFSA-N 309.291 3.291 50 40 DGGB COc1ccc2[nH]c(C(=O)N/N=C(\C)c3cccs3)cc2c1 9095108 QDFYLCHBOFPXRU-VCHYOVAHSA-N 313.382 3.392 50 40 DGGB CCCCOc1ccc(/C=C(/C#N)C(N)=S)cc1OCC 408543879 SLNKNWINTCOWJF-LCYFTJDESA-N 304.415 3.457 50 40 DGGB Cc1ccc[n+](/C(=C\C(=C=N)C#N)C(=O)c2ccc(Cl)cc2)c1 334157180 IHYBMPNLPRKEOI-MFOYZWKCSA-N 322.775 3.358 50 40 DGGB COC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100992010 KEEARDDBDSZNOY-UHFFFAOYSA-N 308.361 3.317 50 40 DGGB COc1ccc(C=C(C#N)C#N)cc1Oc1ccc([N+](=O)[O-])cn1 542634 GMIMZTQXVHZRRC-UHFFFAOYSA-N 322.280 3.221 50 40 DGGB C[C@H]1CCC[C@@H](C)N1C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 6468224 UGUDHZAZJHVLTJ-MBUXQOJLSA-N 312.369 3.112 50 40 DGGB O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1cccs1 4724338 ZGSWPQLLXOBYGZ-JTWRYOSZSA-N 301.327 3.085 50 40 DGGB O=C1S/C(=C\c2ccccc2)C(=O)N1CCBr 9419036 PKSATZYKCREYLY-NTMALXAHSA-N 312.188 3.118 50 40 DGGB CCO[Si](C)(C)CCCOC(=O)C(C)(C)Br 198364333 XMEHHEMQMQMAFL-UHFFFAOYSA-N 311.292 3.335 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 5618261 QYVNVOQMQGJFCO-XNTDXEJSSA-N 303.343 3.119 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 15220515 ZSQKPOHVURLDAX-PTNGSMBKSA-N 306.321 3.019 50 40 DGGB COC(=O)c1ccc2nc(NC(=O)CCCCl)sc2c1 20133625 LNMZWSWQZZIICQ-UHFFFAOYSA-N 312.778 3.040 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)c(O)c(C)c1 106260652 RNQUFDWORMKJRL-VXLYETTFSA-N 312.369 3.090 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(O)c1 408887822 RKMLBPXNMQFKCI-XYOKQWHBSA-N 312.300 3.086 50 40 DGGB O=C1[C@@H](Br)SC(=S)N1c1ccc(Cl)cc1 2556079 XMMXHLICWLXFBU-ZETCQYMHSA-N 322.636 3.426 50 40 DGGB O=S(=O)(N[C@@H]1CCCC[C@@H]1Cl)c1ccc(Cl)cc1 59453736 OOUJPCMFFDCVBG-NWDGAFQWSA-N 308.230 3.168 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2cccs2)ccc1Cl 253210 URXHKGSLNPZMGC-LZYBPNLTSA-N 308.790 3.239 50 40 DGGB Cc1ccc(/C=N/NC(=O)CN2CCCc3ccccc32)c(C)c1 2654409 KNRGWJFGSMQYAI-FYJGNVAPSA-N 321.424 3.206 50 40 DGGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccn1 1803163 OWUJSGVFSLJAAR-NTCAYCPXSA-N 307.353 3.416 50 40 DGGB Cc1nn(-c2ccccc2)c(C)c1[P@@](C)(=O)c1ccccc1 3215028 QTLRRKIRNUUDOK-QFIPXVFZSA-N 310.337 3.433 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccccc2[N+](=O)[O-])s1 6124937 RGVGFPKNFQRCPK-MHWRWJLKSA-N 317.370 3.373 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccccc1O 4782816 JSRVTGDIWJFHMP-DEDYPNTBSA-N 323.396 3.065 50 40 DGGB Cc1ccccc1/C=N/NC(=O)COc1c(C)ccc(C)c1C 18209527 RVEZCJVMUIKQJA-RGVLZGJSSA-N 310.397 3.449 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])c1 213902944 HULXBRBPFPRRLH-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(O)cc1 259606 JGOXYDQQKNUYBT-CAOOACKPSA-N 309.152 3.463 50 40 DGGB CC(C)O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 255004233 VBCCRFGEAJEXLD-ZJIFWQFVSA-N 324.262 3.448 50 40 DGGB CCCOc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 8812329 XUNRIGQISSYMKU-XDHOZWIPSA-N 300.333 3.378 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1 566497 AJGZACHPDAEZTG-VXLYETTFSA-N 316.788 3.486 50 40 DGGB N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(N)=O 408935541 HSHWDADFAJRUDO-AUWJEWJLSA-N 312.756 3.311 50 40 DGGB CC(C)(CBr)CO[P@]1(=O)NCC(C)(C)CO1 1576028 LWNJZJOUADLJTJ-MRXNPFEDSA-N 314.160 3.178 50 40 DGGB COc1ccc2nc(C)c3c(c2c1)O[C@H](CBr)C3 274914 LDEGAENBICTXDR-JTQLQIEISA-N 308.175 3.250 50 40 DGGB biogenic Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(=O)O)cc1 408921736 BPHPFKAIRMVTSA-GXDHUFHOSA-N 306.321 3.239 50 40 DGGB COc1ccc(C(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)cc1 96669713 JXDGFJVGHLLHAF-ZROIWOOFSA-N 309.321 3.199 50 40 DGGB COC(=O)/C(C#N)=C(/Nc1ccc(F)c(Cl)c1)C(F)(F)F 100090513 RAYNIKPBKYEAGZ-JXMROGBWSA-N 322.645 3.404 50 40 DGGB O=S(=O)(N[C@@H]1CCCC[C@H]1Cl)c1ccc(Cl)cc1 59453740 OOUJPCMFFDCVBG-VXGBXAGGSA-N 308.230 3.168 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1 408737476 RJDKNUKTQSSRTI-XSFVSMFZSA-N 308.381 3.253 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)c(F)c1 408968396 WHJISUJFIOCMSK-DNTJNYDQSA-N 319.698 3.254 50 40 DGGB COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 408972390 SOZJXMQVTDVWEJ-LFIBNONCSA-N 320.348 3.327 50 40 DGGB CC[C@H](Nc1ccc(OC)cc1)C(=O)NN=C1CCCCC1 5585155 AMZMNPJWFPXNHK-INIZCTEOSA-N 303.406 3.322 50 40 DGGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCC1 3281642 SMTBUTKHBXSMTN-GBVVBBQNSA-N 316.361 3.226 50 40 DGGB COc1ccc(CCCC(=O)N/N=C/c2ccccc2)c(C)c1 408907639 OGXBGSUTUHGLAI-XSFVSMFZSA-N 310.397 3.477 50 40 DGGB CCCC[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223229741 CBAWJADGSNHWIX-LRDDRELGSA-N 321.440 3.467 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2)cc1OC 5928018 UKOOLBYINIZNMH-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB CCc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 354233 RWFUKWUGXDQCGQ-UHFFFAOYSA-N 301.298 3.142 50 40 DGGB Cc1cccc(CNC(=O)c2ccccc2NC(=O)CCl)c1 8732586 ZWMVWCKZPXKKAT-UHFFFAOYSA-N 316.788 3.102 50 40 DGGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3ccccc3)ccc2O1 9029059 UPOKQOSJOTZPSR-XWAFYUISSA-N 318.376 3.233 50 40 DGGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccncc1 547194 VSEYCWBRWPTUQH-RGVLZGJSSA-N 309.300 3.245 50 40 DGGB O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1cccnc1 1513403 DMNTXVYRUOKTKJ-WSDLNYQXSA-N 314.348 3.480 50 40 DGGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2Cl)c1C 409063470 LJPRNWOYYZOSNE-NTEUORMPSA-N 313.788 3.401 50 40 DGGB CC(=O)Nc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 5069596 BBNMIEGUTUXRME-RVDMUPIBSA-N 321.384 3.027 50 40 DGGB COc1cccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1 4827394 WTWDTRXASOMRTI-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB NNC(=O)/C=C/c1cccc(OCc2cccc3ccccc23)c1 216897125 WBKNORHQRDRVTL-VAWYXSNFSA-N 318.376 3.422 50 40 DGGB CCCC[C@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C 223229096 KTRFOFVJPHDKSI-XJKSGUPXSA-N 303.450 3.328 50 40 DGGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccnc1 63580 RMCQOSYRDGZBAZ-HADWXUJASA-N 319.364 3.152 50 40 DGGB C[C@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OCCCl 1676301 RLAPKRSEFMXZNN-QMMMGPOBSA-N 306.145 3.059 50 40 DGGB CC(C)(C)c1ccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)cc1 31841370 PSGUKZCDZIIOJC-NDENLUEZSA-N 324.428 3.350 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 7893557 BGBDEMYPTOOCBO-QGOAFFKASA-N 311.341 3.333 50 40 DGGB O=C(Nc1ccccc1)[C@@H](Br)C(=O)c1ccccc1 2170372 MICAIBKSCOMWAI-ZDUSSCGKSA-N 318.170 3.272 50 40 DGGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1cc(C)ccc1C 408586009 AHLYAWBYBYMHRU-XSFVSMFZSA-N 324.380 3.115 50 40 DGGB CC[C@@H](C)Oc1ccc(/C=N/NC(C)=O)cc1Br 409009469 AGGRLFMAFUWDOX-KOLYXTFFSA-N 313.195 3.096 50 40 DGGB COc1cccc(C(=O)N/N=C/c2ccc(SC)cc2)c1 5527430 AKFZXEINAOXOED-GZTJUZNOSA-N 300.383 3.181 50 40 DGGB COC(=O)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 1977637 CXQOGHRQGZANHI-XNTDXEJSSA-N 308.293 3.446 50 40 DGGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(N)=O 59133159 FWOXTBILDOPACR-ZSOIEALJSA-N 312.756 3.311 50 40 DGGB COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(C)cc1 5540052 VAPAHXJGYYHPFV-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB COc1ccc(/C(C#N)=C\c2cc(OC)c3c(c2)OCO3)cc1 96137280 OBVONWNQCSVRAT-AUWJEWJLSA-N 309.321 3.497 50 40 DGGB Cc1cc(C)nc(NNC(=O)c2cc3c(s2)CCCCC3)n1 11334127 YRVKMUANJRTJLT-UHFFFAOYSA-N 316.430 3.181 50 40 DGGB Cc1n[nH]c2c1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 38826 AYCZAKJQRAVLNQ-MRXNPFEDSA-N 302.337 3.090 50 40 DGGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408797165 BMKUQYYMEUDHSH-CJMFJESPSA-N 312.369 3.017 50 40 DGGB O=C(N/N=C/c1ccc(-c2ccccc2F)o1)c1cccnc1 8012097 PXVZPGUZBOTNBJ-RGVLZGJSSA-N 309.300 3.245 50 40 DGGB CCCCOc1ccccc1C(=O)NNc1ncc(Cl)cn1 72427701 LLJJGPWNIVKGCU-UHFFFAOYSA-N 320.780 3.066 50 40 DGGB CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2ccc(C)cc21 223213323 CQLZLEXBCIDZMZ-MRXNPFEDSA-N 301.434 3.011 50 40 DGGB Cc1ccccc1C(=O)N/N=C/c1ccc(Br)o1 6217949 VVOWDEACKYSSQZ-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(N)=O 59133160 BRGVWNICUZJKNX-ZSOIEALJSA-N 312.756 3.311 50 40 DGGB Cc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)n1 59484711 YVSAPPHIDBOLDL-YBFXNURJSA-N 305.337 3.013 50 40 DGGB N#CC(C#N)=CN[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 13143179 PSABEDZKQKBHNU-SFHVURJKSA-N 313.364 3.367 50 40 DGGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccncc1 5381552 JUKINEBFRKPREF-KGENOOAVSA-N 319.364 3.154 50 40 DGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccn1 59473254 DAUSHISPBABLNK-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 4357626 RAROHBYIQHQRIX-CQSZACIVSA-N 322.286 3.376 50 40 DGGB N#Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1 348487 MIFZEZUARUVDOS-UHFFFAOYSA-N 320.377 3.439 50 40 DGGB aggregator COc1ccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)[nH]c2c1 409392563 QUVMEQLNNGGELB-TWGQIWQCSA-N 310.269 3.137 50 40 DGGB CC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223202225 RMZWIJJQVXNNSY-OAHLLOKOSA-N 301.434 3.074 50 40 DGGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(C)c(C)c1 5969017 QSNLYKLFZUAUQJ-KGENOOAVSA-N 313.376 3.395 50 40 DGGB O=C(N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 498180 MDLUDOBZLZYCIK-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB Cc1cc(OCC(=O)NC(C#N)=C(Cl)Cl)ccc1Cl 27583676 UBMUVJSGXIHZBM-UHFFFAOYSA-N 319.575 3.314 50 40 DGGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)OCC 408820607 XGWKIOUEHHOWEC-NTCAYCPXSA-N 305.333 3.322 50 40 DGGB CCOc1ccc(/C=N\NC(=O)c2cn(C)c3ccccc23)cc1 33322885 HQIQONJXEHZXOK-NDENLUEZSA-N 321.380 3.341 50 40 DGGB O=C1c2ccccc2C(=O)N1CCc1ccc(CCCl)cc1 44367836 VTYIGANHWXAKGM-UHFFFAOYSA-N 313.784 3.307 50 40 DGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC 5906389 PTGFASYPEYHGRW-XDHOZWIPSA-N 312.369 3.166 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1C 14014133 WTUDWISXPPFRTM-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB C/C=C1\C[N@+]2(CC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 254290132 IPBVRFAPNWZMGD-PRZLDUGVSA-O 321.444 3.392 50 40 DGGB biogenic,in-vitro COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1O 54883587 LFRAXCQVGDNQRV-UDWIEESQSA-N 320.348 3.318 50 40 DGGB C/C(N)=C(\C#N)C(=O)CSc1cccc(C(F)(F)F)c1 104475613 STWMNYOHMFSLEG-FLIBITNWSA-N 300.305 3.123 50 40 DGGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1cccc(N)c1 5893554 YMBOFPMJRCJXST-VXLYETTFSA-N 317.776 3.085 50 40 DGGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccncc1 408719818 MHLUJXFZNIRJNI-WOJGMQOQSA-N 319.817 3.368 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1 34720724 JINBHUBQOTWXNB-QINSGFPZSA-N 321.380 3.307 50 40 DGGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 7157983 IXJQORVZLFBIAB-AWWQTPIYSA-N 311.429 3.354 50 40 DGGB O=C(CBr)c1ccc(F)c(F)c1Br 258837468 SBRKIXMCSMHBMI-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 4357630 RAROHBYIQHQRIX-AWEZNQCLSA-N 322.286 3.376 50 40 DGGB N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)=C1Nc2ccccc2N1 9088583 XMQMHDOWPFLLAP-UHFFFAOYSA-N 306.281 3.050 50 40 DGGB CC(C)CCOc1cccc(NC(=O)CBr)c1 35605116 ZJYHGGQBTKTRCW-UHFFFAOYSA-N 300.196 3.445 50 40 DGGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccccn1 6049097 MLVKGDZIJMPPTK-FYJGNVAPSA-N 304.353 3.092 50 40 DGGB CC(C)N(Cc1ccccc1)[C@H]1CCCN(C(=O)CCl)C1 79415007 PSPNCTSAXGAREY-INIZCTEOSA-N 308.853 3.127 50 40 DGGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1ccccc1 195750470 DHOSWAOMKMFUJX-MOSHPQCFSA-N 318.380 3.253 50 40 DGGB C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1cccs1 104813375 MVYCTAHYRINWSY-VCHYOVAHSA-N 319.361 3.022 50 40 DGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Br)o2)n1 408975613 BGUWGVZUUFQZPA-UXBLZVDNSA-N 320.146 3.103 50 40 DGGB C=CCn1c(C)c(/C=N/NC(=O)c2cccnc2)c2ccccc21 409034280 NLRHZKSITWSUNC-FYJGNVAPSA-N 318.380 3.295 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 500977 IMMGIADQLYFVLO-KAMYIIQDSA-N 308.337 3.249 50 40 DGGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 409365449 QUPBOPXRTLMEIF-XGICHPGQSA-N 310.265 3.093 50 40 DGGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccccc2O)cc1 409121993 WJFZPABBIYTTCQ-FHXOWUIVSA-N 314.410 3.332 50 40 DGGB COC(=O)[C@@H](Br)c1ccc(Br)cc1 39271921 MJKFDRJNRQQSDA-QMMMGPOBSA-N 307.969 3.058 50 40 DGGB NNC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226236037 NCUCDZUJDSRXFQ-UHFFFAOYSA-N 321.167 3.140 50 40 DGGB N#CCOc1ccccc1/C=N/NC(=O)c1ccccc1Cl 43776180 HRZKIKMFMACRNI-YBFXNURJSA-N 313.744 3.006 50 40 DGGB CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1 13408002 CUUQXRFFSDGPLG-KAMYIIQDSA-N 316.364 3.053 50 40 DGGB CO/N=C1/C(C)(C)C(C)(C)C(C)(C)[C@@]1(C)SS(=O)(=O)O 1725094 HUMCGGJCMKJQLW-GFAPJHNFSA-N 323.480 3.376 50 40 DGGB N#CC(C#N)=C1NC(C2CC2)=CC(c2ccc(F)cc2)=C1C#N 507903 SUJVQYXXRMCCCE-UHFFFAOYSA-N 302.312 3.301 50 40 DGGB Cc1cccc(/C=N/NC(=O)CNc2cccc3ccccc23)n1 124529 QYFCTZDWWHQJOL-CIAFOILYSA-N 318.380 3.105 50 40 DGGB COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1O 8829068 QIXLVYXPVYWNOA-WQLSENKSSA-N 319.320 3.114 50 40 DGGB Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)c(C)o1 8491207 CFJYTXYSZKOLLD-UHFFFAOYSA-N 308.337 3.124 50 40 DGGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1C 408961756 DTVHBEULYTXYDC-AWQFTUOYSA-N 323.318 3.425 50 40 DGGB CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1=O 195880254 NZXWCUMKUTZIEY-AWEZNQCLSA-N 319.477 3.336 50 40 DGGB N#C/C(=C/n1ccc(=O)[nH]c1=S)c1nc2ccccc2s1 5724437 XWODPPIUXWOHKW-HJWRWDBZSA-N 312.379 3.037 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1 16157362 CNSVEGHUKWHXQZ-GDNBJRDFSA-N 306.321 3.239 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1 509117 IPAIQYRCYUEMJO-SRZZPIQSSA-N 321.380 3.314 50 40 DGGB N#C/C(=C\c1ccc(-n2cncn2)c(F)c1)C(=O)c1ccsc1 44027856 FYZBVUDBBZJMPK-WLRTZDKTSA-N 324.340 3.258 50 40 DGGB CC/C(=N\NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 13777835 ZHHWSEAUYOXLJE-XDJHFCHBSA-N 310.353 3.002 50 40 DGGB COc1cc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1O 13952846 NIXVYTRRBBGZJX-QZZQKYANSA-N 324.380 3.045 50 40 DGGB N#C/C(=C/C=C/c1ccco1)C(=O)NCCCc1ccccc1 409220801 FYZWTYFHLHGSTE-FYEWSOPFSA-N 306.365 3.492 50 40 DGGB C[C@H](Br)C(=O)N1CCC(Cc2ccccc2)CC1 41705398 ULNMYTXCSJCEKN-LBPRGKRZSA-N 310.235 3.251 50 40 DGGB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1CC(Cl)C1 585122295 VZKLJNHAUOGDPK-ODIFPOPNSA-N 320.864 3.127 50 40 DGGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@H](c2ccco2)N1C 5760184 JMFHAVVDNHWQSQ-OAHLLOKOSA-N 307.353 3.007 50 40 DGGB NC(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 6221528 PYNRXZAQLOOQCG-UFWORHAWSA-N 321.739 3.060 50 40 DGGB Cc1ccccc1N1C(S)=C(C#N)C(=O)NC12CCCCC2 352260 MKIPJMXZSCYPBN-UHFFFAOYSA-N 313.426 3.257 50 40 DGGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1 5671468 OVNURGGXMIBRRD-GHXNOFRVSA-N 311.253 3.273 50 40 DGGB CCOc1ccc(CCCC(=O)N/N=C/c2ccco2)cc1 5873021 YHKXJGAGKCBYHM-QGOAFFKASA-N 300.358 3.151 50 40 DGGB CN(NC(=O)CCc1nc2ccccc2s1)c1ccccc1 8358024 LGQQZHLRULHIML-UHFFFAOYSA-N 311.410 3.397 50 40 DGGB COc1ccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)cc1OC 1098701 PYSCZURPYGOCGJ-ZEQSIELKSA-N 324.380 3.176 50 40 DGGB CCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 2484166 JOLZZJCJDHMVKQ-KRWDZBQOSA-N 324.380 3.290 50 40 DGGB Cc1cccc(NCC(=O)N/N=C\c2cn(C)c3ccccc23)c1 4905221 COKRPXMHEZDABK-NHDPSOOVSA-N 320.396 3.049 50 40 DGGB Cc1ccc(S(=O)(=O)C(N=C=S)=C(Cl)Cl)cc1 46526 BMRVXVHHOAQEFJ-UHFFFAOYSA-N 308.211 3.476 50 40 DGGB in-vitro CN(C)C(/C=C/Nc1cccc(Br)c1)=C(C#N)C#N 100924344 OKKLEWLWLPVZOG-VOTSOKGWSA-N 317.190 3.238 50 40 DGGB O=C(N/N=C/c1c(O)ccc2oc3c(c12)CCCC3)c1ccco1 501619 UDNDKNRIZVZUSC-VXLYETTFSA-N 324.336 3.374 50 40 DGGB COc1ccc(CC(=O)N/N=C2\CCCc3ccccc32)cc1 587997 FQSVIKPJIWYOFK-CZIZESTLSA-N 308.381 3.095 50 40 DGGB COc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1C(C)=O 408766773 RQMDIDVISUOYFL-PTNGSMBKSA-N 320.348 3.443 50 40 DGGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 33320144 FRTKUYNGOABOKT-ODLFYWEKSA-N 324.336 3.214 50 40 DGGB CC(C)OC(=O)/C(C#N)=C\c1ccsc1Br 5633282 PPYSWNBIZSUVJS-UITAMQMPSA-N 300.177 3.369 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 15219525 GCBFCPWVNUNLTM-UVTDQMKNSA-N 308.337 3.249 50 40 DGGB CCOc1ccccc1NC(C#N)=C1C(=O)c2ccccc2C1=O 148190 JIRITNSOODKODX-UHFFFAOYSA-N 318.332 3.354 50 40 DGGB CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(N)=O)cc1 33466896 NFHDHBVTUVUJJK-ATVHPVEESA-N 305.381 3.105 50 40 DGGB CN(C)c1ccc(/C=N\NC(=O)c2cnc3ccccc3c2)cc1 29589925 GCGOWNLWEBLUMU-MTJSOVHGSA-N 318.380 3.065 50 40 DGGB in-vitro COc1ccc(C(NC(=O)CCl)c2ccc(OC)cc2)cc1 4206617 HZJCCFDHIZXGTH-UHFFFAOYSA-N 319.788 3.148 50 40 DGGB O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 4814017 ZOURXTRLIKANCB-BKXTUGJOSA-N 313.288 3.163 50 40 DGGB COc1cccc(C(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)c1 96669708 PAEBOJQUDPWQOM-ZSOIEALJSA-N 309.321 3.199 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 5620912 WJZYVSLLOSZEAC-FXKVCSJQSA-N 315.373 3.066 50 40 DGGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(O)cc1 301013 BBWITAIHTBXEMO-YBFXNURJSA-N 306.321 3.015 50 40 DGGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cccnc1 3187144 ARPRTXQPUZYMCX-XYOKQWHBSA-N 315.279 3.229 50 40 DGGB CCN(CC)c1ccc(NC(=O)NN(C)c2ccccc2)cn1 58413644 LYVRIGYSRXBFIO-UHFFFAOYSA-N 313.405 3.101 50 40 DGGB COc1ccc(OC)c([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c1 19760521 VMXRANPWEMFYPI-SFHVURJKSA-N 324.380 3.195 50 40 DGGB Cc1ccc(OCC(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1 66330633 PWSMNHVILXDTOJ-JAIQZWGSSA-N 321.380 3.314 50 40 DGGB CC(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195760528 APTHFTIZBJWVSX-UHFFFAOYSA-N 318.492 3.079 50 40 DGGB COc1ccc(CCCC(=O)N/N=C/c2ccco2)c(C)c1 221406 OCONYXVOGGWBOD-LDADJPATSA-N 300.358 3.070 50 40 DGGB O=C(NNc1nc(CCl)cs1)c1ccccc1Cl 1572761 PKFATSQAXMVIOP-UHFFFAOYSA-N 302.186 3.292 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1O 5069538 SSEXOAKWLMWRSD-CBJRRHEPSA-N 314.385 3.003 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 5381564 RTCZCORZHYVVQI-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB O=[P@@]1(N(CCCl)CCCl)NCc2ccccc2O1 1767282 HYMVDIYYLNVACY-SFHVURJKSA-N 309.133 3.056 50 40 DGGB CC1(C)OC2=C(C[C@H]1Br)C(=O)C(=O)c1ccccc12 4974721 AUROYOJYCLWCML-LLVKDONJSA-N 321.170 3.126 50 40 DGGB in-vitro O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc2cc[nH]c12 312224 VSAJNXBMCKSFMM-SRZZPIQSSA-N 302.337 3.413 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 100549685 ZEQULRLHFNCTKT-FRUBDDEUSA-N 316.401 3.246 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccccc1O 6945940 HUVMPAFWCKKWRQ-WOJGMQOQSA-N 314.410 3.487 50 40 DGGB Cc1c(F)cccc1C(=O)[C@H](Br)CBr 306740600 CHGSBAOHVXCPTK-MRVPVSSYSA-N 323.987 3.475 50 40 DGGB Cc1cccc(OCC(=O)N/N=C\c2ccccc2Cl)c1C 30838718 WRVKLLZVXAPOHV-GRSHGNNSSA-N 316.788 3.486 50 40 DGGB CC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260625069 YUEAHKUZZHPVEA-HIFRSBDPSA-N 303.450 3.164 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 254487 QEWVODDZEBVZOR-HMMYKYKNSA-N 309.413 3.226 50 40 DGGB Cl[C@H](c1ccccc1)C1(Br)C=c2ccccc2=C1 104135934 LISLRFGSLUXKHB-OAHLLOKOSA-N 319.629 3.375 50 40 DGGB Cc1cccc(/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c1 9324423 ZDSLGXOPSKDGRB-MHWRWJLKSA-N 303.365 3.250 50 40 DGGB CC1(C)CC(=O)[C@@H](C(=O)/C=C/c2ccccc2)C(=O)[C@@H]1Cl 104832573 KPBJIZJJLHQZMY-RIEFBQKVSA-N 304.773 3.061 50 40 DGGB O=C(CCl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 4205096 QBKUPJQFZWCFBG-UHFFFAOYSA-N 323.801 3.291 50 40 DGGB CCOc1ncccc1C(=O)NNc1ccc(C)c(Cl)c1 9501295 JMAIVUSGBUCBHC-UHFFFAOYSA-N 305.765 3.199 50 40 DGGB CCc1ccc(/C=N\NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 31776189 HCGWWRLUJARSOV-CTFRJJSNSA-N 310.397 3.475 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c1 352417 SXZUOZXBHCFDGI-NTEUORMPSA-N 307.309 3.449 50 40 DGGB C[C@@H](CC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 2660962 RNNPWYUIUCUHDM-LBPRGKRZSA-N 316.788 3.295 50 40 DGGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 9971500 NQNMPLVRKBMMOC-KRWDZBQOSA-N 308.337 3.009 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(OC)cc2)cc1 33477596 CZULHFHAHMVABH-WJDWOHSUSA-N 321.332 3.272 50 40 DGGB O=C(CBr)NCC1(c2ccc(F)cc2)CCCC1 96515839 WLUFGTLFXDEHMR-UHFFFAOYSA-N 314.198 3.149 50 40 DGGB COc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c(OC)c1 57413911 FANAFKGAUJPJHL-OUKQBFOZSA-N 323.352 3.162 50 40 DGGB COc1ccc2ccccc2c1/C=N\NC(=O)c1cccnc1 14010394 PZSIBSPVDQBPIU-NDENLUEZSA-N 305.337 3.007 50 40 DGGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408542389 IWWZSLPCJGOEQS-DHDCSXOGSA-N 306.321 3.239 50 40 DGGB COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(N(C)C)cc1 206282160 XAXFXGPXZIBLRP-QINSGFPZSA-N 321.380 3.307 50 40 DGGB CC1=C[C@]2(C)C=C(C)[C@]3(OC(c4ccccc4)=C(C#N)C3=N2)C1=O 1612416 HWVQANDNOWOBQB-WOJBJXKFSA-N 316.360 3.379 50 40 DGGB O=C(NCCCl)NC1c2ccccc2CCc2ccccc21 1623505 DKFBCJSOTLNSGV-UHFFFAOYSA-N 314.816 3.413 50 40 DGGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)NC1CCCC1 409192011 SHJIIHMDDCWECH-SQFISAMPSA-N 305.381 3.443 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1O 4722899 OVNVYLZWTAPMPJ-GXDHUFHOSA-N 308.337 3.255 50 40 DGGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1F 5042772 XFXCWRKEEFTZCB-DKABEWEPSA-N 313.288 3.163 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 13345066 ZMEFEBVXBABAOJ-GXDHUFHOSA-N 306.321 3.239 50 40 DGGB CCC[C@H](Br)C(=O)Oc1ccc([N+](=O)[O-])cc1 1662271 OZADYGHUEWVITI-JTQLQIEISA-N 302.124 3.064 50 40 DGGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccnc1 408719656 JAHZHSMDBHXDFN-WOJGMQOQSA-N 319.817 3.368 50 40 DGGB CC(C)(C)OC(=O)N/N=C(\Cc1ccc(Cl)cc1)NC1CC1 66323330 DMYCSXWSLZFQQW-UHFFFAOYSA-N 323.824 3.473 50 40 DGGB ClCCn1cnc2c(SCc3ccccc3)ncnc21 1689445 HCWAMVQMVMQQNI-UHFFFAOYSA-N 304.806 3.357 50 40 DGGB CCCC[C@@H](Br)C(=O)Nc1ccc2c(c1)OCO2 3159560 FBSUIFHGLWEKHQ-SNVBAGLBSA-N 314.179 3.308 50 40 DGGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccncc1 59166330 ONJGVKNIXYWSQX-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB O=C(CCC1CCCCC1)NNC(=O)c1cc2c(s1)CCC2 12976240 DTMIJIJVQAUSRS-UHFFFAOYSA-N 320.458 3.358 50 40 DGGB Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CCl)[C@H]3CCC1 5751062 FKJAKGFIQJNVFO-GUYCJALGSA-N 318.848 3.242 50 40 DGGB Cc1cccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1 409250569 MZUCJXFATPFLGS-QGMBQPNBSA-N 316.744 3.141 50 40 DGGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)cc2)cc1 408581617 JQVLEENXMFSTDB-XNTDXEJSSA-N 309.321 3.223 50 40 DGGB CN(CCCBr)CCCN(C)Cc1ccccc1 95115797 XWDSWLGKLCTXLC-UHFFFAOYSA-N 313.283 3.225 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2Cl)cc1 251852 RYMRSISJMRJSKS-VXLYETTFSA-N 301.777 3.211 50 40 DGGB O=C(OC[C@H](CCl)OC(=O)c1ccccc1)c1ccccc1 2317105 LCRYAZWAUUWLNL-HNNXBMFYSA-N 318.756 3.308 50 40 DGGB N#C/C(=C/c1ccc(C(=O)O)cc1)c1nc2ccc(F)cc2[nH]1 408565821 AVESRSFNLHOTHU-GHXNOFRVSA-N 307.284 3.464 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)CCc2ccccc2)o1 408949155 DXETWXIWPSJRJZ-XMHGGMMESA-N 313.401 3.209 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1C 408747191 KGRZTMGAXZGSDD-BOPFTXTBSA-N 306.365 3.227 50 40 DGGB Cc1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252478242 AGBPWJIALGQIAC-SBQONWBNSA-N 302.374 3.449 50 40 DGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 134451 JOJUUMPJXUKSGS-VCHYOVAHSA-N 315.760 3.062 50 40 DGGB C#CCn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21 495827 WAWWBAMLSGIUCL-DEDYPNTBSA-N 301.349 3.038 50 40 DGGB N#C/C(=C/c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1 4535120 NLTIXGLRVWLYBW-QBFSEMIESA-N 320.352 3.057 50 40 DGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1 207854961 KJLWJXSZEPUEQV-UVTDQMKNSA-N 308.337 3.337 50 40 DGGB O=C(Cl)c1ccc(I)c(Cl)c1 57351545 HUZGZNRDIDHCRX-UHFFFAOYSA-N 300.910 3.324 50 40 DGGB O=C(N/N=C1/CCSc2ccc(F)cc21)c1cccc(O)c1 33499005 NAIPPWFCQCRQSO-JXAWBTAJSA-N 316.357 3.161 50 40 DGGB COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O 5527218 WDMSXRHHLCQSLT-JYRVWZFOSA-N 324.292 3.366 50 40 DGGB N#C/C(=C/c1cccs1)c1nc(N)nc(Nc2ccccc2)n1 96931108 WUODMPXALWGJNR-LUAWRHEFSA-N 320.381 3.323 50 40 DGGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)F)[C@@H]1CC[C@H]2O 118924850 BAQFZOVIPZMHIB-IJPPCXMXSA-N 320.404 3.355 50 40 DGGB COc1cc(C(=O)NN)ccc1OCc1cccc2ccccc12 226325493 ZYYJHRRLAXGUII-UHFFFAOYSA-N 322.364 3.031 50 40 DGGB CCC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223221521 YKFIUKZQRJQPMP-DZGCQCFKSA-N 303.450 3.246 50 40 DGGB COc1cc(/C=N/NC(=O)Nc2cccc(Cl)c2)ccc1O 93987 HTOQJJVFFVDJGD-RQZCQDPDSA-N 319.748 3.210 50 40 DGGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccn1 31081 YMTJLVLYFGTOHS-CNRHGSOZSA-N 318.380 3.186 50 40 DGGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O 1090794 FCKHUEAZZHNMJS-NTEUORMPSA-N 312.756 3.311 50 40 DGGB Cc1cc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 2631815 UITSARPQYVOGDQ-VZGLCWHJSA-N 313.313 3.234 50 40 DGGB Cc1ccc(C(=O)NN(C)c2cc(C)c(C#N)c(Cl)n2)cc1 12447631 VGBUWHJOIMIBQR-UHFFFAOYSA-N 314.776 3.005 50 40 DGGB O=C(CCl)Nc1nc2ccc(N3CCCCC3)cc2s1 20131864 PFEVEUCSWSEXNR-UHFFFAOYSA-N 309.822 3.464 50 40 DGGB CCOC(=O)NN/C=C/C(=O)c1ccc(-c2ccccc2)cc1 408974657 GFRLPUXSWVQLDF-OUKQBFOZSA-N 310.353 3.301 50 40 DGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(O)cc1 409105653 JZJITCCGVKWYND-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 83309253 JRHDKXRVRMCRKQ-YVLHZVERSA-N 309.281 3.105 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCC=CCC[C@H]21 257373047 RMHIIYCWEGTONP-CGAQUAKZSA-N 313.357 3.037 50 40 DGGB Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 45716 FZYCXHQUJHPLRU-QGMBQPNBSA-N 308.168 3.340 50 40 DGGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 7157981 IXJQORVZLFBIAB-NCEZTRIPSA-N 311.429 3.354 50 40 DGGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC)c2C)cc1 16162094 OAVCSNNAGSYAOZ-BOPFTXTBSA-N 307.397 3.310 50 40 DGGB O=S(=O)(NCCCl)c1ccc(C2CCCCC2)cc1 5768469 AVBOOBHXUYOUHF-UHFFFAOYSA-N 301.839 3.251 50 40 DGGB Cc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 257114 XLXORGZKFPTUOV-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB CCc1ccc([C@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1 55175178 XFNRZWRQVHQNFP-KRWDZBQOSA-N 315.380 3.307 50 40 DGGB C=CCOC(=O)/C(C#N)=C/c1cccc(SC(=O)N(C)C)c1 585139851 XFXBOQZPFSLOGA-UKTHLTGXSA-N 316.382 3.096 50 40 DGGB O=C(N/N=C/c1ccccc1O)C12CC3C[C@H](CC[C@H](C3)C1)C2 13645157 PHYPQNLAVSJGAL-VLXJAVDBSA-N 312.413 3.449 50 40 DGGB CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2cccs2)cc1 569139 GNKYZTYMDMIODW-LLVKDONJSA-N 318.398 3.000 50 40 DGGB C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(C)o1 482736 IWISWLHQZABILK-RIYZIHGNSA-N 311.135 3.098 50 40 DGGB Cc1nc(COc2ccc(/C=C(/C#N)C(=O)O)cc2)cs1 44873466 QINCFNVEHAHYBU-SDQBBNPISA-N 300.339 3.022 50 40 DGGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnccn1 28510864 WORVHYFBKCAJBL-UHFFFAOYSA-N 317.563 3.194 50 40 DGGB Cc1ccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)o1 4871869 JSVXRIOGJDFPBM-VCHYOVAHSA-N 301.390 3.190 50 40 DGGB CCCCC/C(C)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 4402085 IXEQMMUMSINTRR-XDHOZWIPSA-N 323.824 3.142 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2c(C)cccc2C(C)=CC1(C)C 223220496 NYTLTQMLEMGMAQ-HNNXBMFYSA-N 301.434 3.156 50 40 DGGB CC(/C=N/NC(=O)c1ccn(C)n1)=C\c1ccc(C(C)C)cc1 132314 FODQKRWCYYZXBZ-UFTLPMNOSA-N 310.401 3.363 50 40 DGGB Cc1cccc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)n1 59484645 OZNBGYROQWNNCS-CNHKJKLMSA-N 309.703 3.086 50 40 DGGB COC(=O)Cc1ccc(OCCCCCBr)cc1 39047723 NNORCUDKGASIRG-UHFFFAOYSA-N 315.207 3.346 50 40 DGGB Cn1c(SCCCCl)nnc1-c1cccnc1Cl 199754120 ONXAMFNCMMYWDI-UHFFFAOYSA-N 303.218 3.252 50 40 DGGB CN(C)/N=C(/CBr)c1ccc(Br)cc1 5052769 XDNHXOOEKGYRAW-RAXLEYEMSA-N 320.028 3.110 50 40 DGGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1O 3082759 SBXBIPPSLBODOV-VBEHJTROSA-N 314.410 3.164 50 40 DGGB ClCCN(CCCl)Cc1nc2cc(Cl)ccc2[nH]1 50539040 PTYGEDNIZQUQAH-UHFFFAOYSA-N 306.624 3.496 50 40 DGGB Cn1cc(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 408947925 BRDXCDMVJSEOGH-DEDYPNTBSA-N 305.381 3.261 50 40 DGGB IC[C@H]1CCCN1Cc1ccccc1 79436719 OYXJPVWLDOOCFX-GFCCVEGCSA-N 301.171 3.086 50 40 DGGB CCOc1ccccc1/C=N/NC(=O)Nc1ccc(OC)cc1 367956 VUWKHBHUYASTAK-LDADJPATSA-N 313.357 3.250 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)c([N+](=O)[O-])c1 5661302 SORRAODZXXRQCE-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)OC)=C(C)N1 100902142 DDPGLULWBMIZAR-CYBMUJFWSA-N 320.439 3.370 50 40 DGGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(O)c1 8812259 FHYBQERTQVCNJR-VXLYETTFSA-N 316.332 3.082 50 40 DGGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(F)cc1 8812279 BGXWLJQUFJYFEZ-XDHOZWIPSA-N 300.333 3.378 50 40 DGGB N#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100293836 VFUYCTFNMDZYDE-UHFFFAOYSA-N 303.345 3.236 50 40 DGGB CN1CCC(=NNC(=O)C(c2ccccc2)c2ccccc2)CC1 55075732 BOECHRDNLWYRNL-UHFFFAOYSA-N 321.424 3.016 50 40 DGGB Cc1occc1C(=O)N/N=C/c1cc(Br)cs1 4150797 FTEGZCIHAAKHPR-WLRTZDKTSA-N 313.176 3.176 50 40 DGGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C 409007068 MSTVMJHRDSFNJT-LICLKQGHSA-N 307.397 3.364 50 40 DGGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1 408568017 RNDLBGOOEOHOBL-DEDYPNTBSA-N 310.397 3.383 50 40 DGGB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CSC#N 216857879 WYHDKJAIVMHPHG-UHFFFAOYSA-N 324.365 3.351 50 40 DGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O 13914370 GAJSRMHQEMFSST-ZROIWOOFSA-N 308.337 3.255 50 40 DGGB O=C(Cl)COc1c(F)c(F)c(C(F)(F)F)c(F)c1F 5612404 YOLCADNBUKBVHP-UHFFFAOYSA-N 310.552 3.406 50 40 DGGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Cl)cc1Cl 47863 UCZLQKLKULSPQZ-UHFFFAOYSA-N 323.208 3.212 50 40 DGGB C/C(=N\NC(=O)c1ccccn1)c1sc(C(C)(C)C)nc1C 41699466 YOMFLUHXQCNXSN-YBFXNURJSA-N 316.430 3.298 50 40 DGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1[C@H]1C=CCCC1 39940563 FVZOAPHIVYVRCH-NHYWBVRUSA-N 320.348 3.319 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1 212117615 TXKXTIANLFQWLM-GDNBJRDFSA-N 306.321 3.239 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1C 13950246 MDSALELULIHQMB-QGOAFFKASA-N 311.341 3.366 50 40 DGGB CSCC[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 5045028 UICRWRPTIDKAPK-QMMMGPOBSA-N 318.427 3.061 50 40 DGGB CCC(/C=N\NC(=O)CCCC(=O)N/N=C\C(CC)CC)CC 4962736 MEMKKCBZXAGORC-BKHHGCLFSA-N 324.469 3.233 50 40 DGGB Fc1ccc(CBr)c(I)c1 71260817 BPSKLIWSZVNGFO-UHFFFAOYSA-N 314.923 3.325 50 40 DGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1 408754782 IKWFBWULGDBRDM-RGVLZGJSSA-N 306.287 3.398 50 40 DGGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccnc1 132014 XRIILDMQIMINOY-CNRHGSOZSA-N 318.380 3.186 50 40 DGGB Cc1cccc(C(=O)N/N=C/[C@@H](C)Cc2ccc3c(c2)OCO3)c1 370323 CWGBYEFNCKGAKC-HXJASHHUSA-N 324.380 3.318 50 40 DGGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc(O)c1 61720435 AFOXYOCFGWCZMW-XYOKQWHBSA-N 303.321 3.419 50 40 DGGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1 493554 BYMQXCLIYFFWRI-RIYZIHGNSA-N 309.188 3.275 50 40 DGGB CC(C)C(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1 16055266 FVGDUADQDBGZQT-UHFFFAOYSA-N 306.749 3.017 50 40 DGGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1Cl 5401504 YNLVCGYNESTDCQ-LZYBPNLTSA-N 318.789 3.122 50 40 DGGB N#C/C(=C/c1ccsc1)C(=O)NCCc1c[nH]c2ccccc12 4811456 ZOUFPUUPQVCYCF-DHDCSXOGSA-N 321.405 3.495 50 40 DGGB CCCCc1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1 8733009 XQDPQWWEJGEIMW-LBPRGKRZSA-N 310.825 3.101 50 40 DGGB Cc1cccc(O[C@H](C)C(=O)NN=C2CCSCC2)c1C 84219121 GLLPVHPPWSCOBF-CYBMUJFWSA-N 306.431 3.070 50 40 DGGB Cc1cc2c(cc1C)N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260622342 SXTGUDHBZCKVPI-PBHICJAKSA-N 317.477 3.410 50 40 DGGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c1 13152025 SEEJSANAUCWVQV-HTMJNSLASA-N 314.410 3.326 50 40 DGGB Cc1nc(-c2ccccc2)nc2c1C[C@H](CBr)O2 169000 MDGRMRFKTZLRIL-LLVKDONJSA-N 305.175 3.150 50 40 DGGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1O 408718845 NYPPCHMWUJVNKD-XRBXTVCRSA-N 316.401 3.067 50 40 DGGB O=C(CCl)N(CC1CCN(Cc2ccccc2)CC1)C1CC1 79404042 CCTDZRDNYDAECG-UHFFFAOYSA-N 320.864 3.128 50 40 DGGB CCCC[C@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260612933 CBAWJADGSNHWIX-MLGOLLRUSA-N 321.440 3.467 50 40 DGGB CC(=O)N1CCCc2cc(NC(=O)C(C)(C)CCl)ccc21 5373722 MTZJWDFYKOXGMM-UHFFFAOYSA-N 308.809 3.189 50 40 DGGB C/C(Cc1c[nH]c2ccccc12)=N/NC(=O)c1ccc(N)cc1 4728922 JUBWPCQEWKVRLP-MTJSOVHGSA-N 306.369 3.099 50 40 DGGB COc1ccccc1COCCCI 8700479 BMRMMXAKFOYLLI-UHFFFAOYSA-N 306.143 3.037 50 40 DGGB COc1ccc(/C(=C/C#N)c2ccc(S(C)(=O)=O)cc2)cc1 26897244 GOSDLHANMGLGFX-BOPFTXTBSA-N 313.378 3.054 50 40 DGGB Cc1csc([C@H]2C(=O)NC(S)=C(C#N)C23CCCCC3)n1 4205531 GKDGJKDGHHITIC-LLVKDONJSA-N 319.455 3.280 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)cc1 4705189 CNSVEGHUKWHXQZ-XNTDXEJSSA-N 306.321 3.239 50 40 DGGB CS(=O)(=O)[C@H](Cl)C(=O)c1ccc(-c2ccccc2)cc1 96517751 KBNVCBPPMBEABL-HNNXBMFYSA-N 308.786 3.146 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260622095 RBEXLKORXYNMFL-CJNGLKHVSA-N 303.450 3.246 50 40 DGGB CCOC(=O)/C(C#N)=C/C=C1C=CN(Cc2ccccc2)C=C1 256489 WGYXXHVQGKWCMQ-GIJQJNRQSA-N 306.365 3.469 50 40 DGGB O=C(N/N=C/c1ccsc1)c1cc(F)c(F)cc1Cl 59461481 KYFTZINESWVQCD-FZSIALSZSA-N 300.717 3.444 50 40 DGGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cccc(C)c2)C1=O 5021824 MOQDGRCHLKIUKI-ATVHPVEESA-N 323.396 3.300 50 40 DGGB CCNC(=O)NNC(=O)c1cc2sc3ccccc3c2s1 65190693 SAEGBJJNTZNPGH-UHFFFAOYSA-N 319.411 3.080 50 40 DGGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Cl)c1O 4600226 BQDNDWFYFGHIMD-LZYBPNLTSA-N 314.769 3.303 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)c(C)c2)cc1 408566114 DIBPBHKQBKAZIQ-HMMYKYKNSA-N 310.397 3.395 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)Cc2cccs2)cc1C 8334017 RDDRXWSAMUDQHL-LICLKQGHSA-N 302.399 3.066 50 40 DGGB CCc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(C)cc2)cc1 59472497 KFJJEMYZDZYYDF-UHFFFAOYSA-N 320.396 3.014 50 40 DGGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(-c4ccccc4)nc32)o1 5067850 SZQRZRLGUDVNFT-CQSZACIVSA-N 318.336 3.196 50 40 DGGB Cc1ccc(C)c(NC(=S)NNC(=O)c2csc(C)c2)c1 8685071 XEEAXDYPKDUAAN-UHFFFAOYSA-N 319.455 3.305 50 40 DGGB Cc1ccccc1CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 14020245 CXYHLEUEYZKDHN-ZDUSSCGKSA-N 311.410 3.259 50 40 DGGB COc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3[nH]1)OCO2 4541061 SOHCPSWIYWPDIY-WUXMJOGZSA-N 319.320 3.364 50 40 DGGB O=C(N/N=C/CCc1ccccc1)c1cc(Cl)ccc1O 5946818 LHDVCWJHBJKPFY-VCHYOVAHSA-N 302.761 3.394 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(O)cc1 408997578 HHFRCMHNHZKRCK-YBFXNURJSA-N 323.352 3.157 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2sccc2C)cc1C 409000990 OHPDXLSGMOBWLF-GIJQJNRQSA-N 301.415 3.236 50 40 DGGB CCn1cc(/C=N/NC(=O)c2ccccc2OC)c2ccccc21 40570810 GMZIQZIPNPLOAW-UDWIEESQSA-N 321.380 3.434 50 40 DGGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(C#N)cc1 33047 KGMMAPMPBILQSL-MQMKENTISA-N 323.421 3.330 50 40 DGGB CC(C)CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 3354635 ZOKGGCVEGSOKCC-DEDYPNTBSA-N 311.385 3.270 50 40 DGGB O=C(NN[C@H]1CCCC/C1=N\O)Nc1cccc2ccccc12 5201310 HMMXJWNZHOUKNK-SSPLZPMDSA-N 312.373 3.239 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2)c1 8228727 SCALLRIKQWTZIH-CPNJWEJPSA-N 310.353 3.024 50 40 DGGB C=CCc1cccc(/C=N/NC(=O)c2cccc3cc[nH]c23)c1O 289966 KEGCJJWHOKWJPC-CIAFOILYSA-N 319.364 3.366 50 40 DGGB C[C@H](NC(=O)C(=O)NN=C1CCCCCCC1)c1ccccc1 4832405 LCLQZVLULDAMHL-AWEZNQCLSA-N 315.417 3.080 50 40 DGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 552464 BDJAQWUJIPHDNG-LICLKQGHSA-N 309.281 3.105 50 40 DGGB O=C(NNC(=O)c1cccc2ccccc12)NC1CCCCC1 4156154 AZYOWBFXTUOITR-UHFFFAOYSA-N 311.385 3.117 50 40 DGGB O=C(Cl)OCC1=Cc2ccc3ccccc3c2S1(=O)=O 35260229 OWIUPSQDGAKBDA-UHFFFAOYSA-N 308.742 3.343 50 40 DGGB O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccccc1F 4121497 RWDJWSPVDFIUBU-UHFFFAOYSA-N 323.299 3.471 50 40 DGGB O=C(COc1cccc2ccccc12)N/N=C/c1ccsc1 563971 SUMYXENYKCHTTO-VCHYOVAHSA-N 310.378 3.430 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1450893 RYYNDHCHTCVQJH-KWWJGWKXSA-N 321.336 3.379 50 40 DGGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 5714701 GTIVGRGTNCYAHM-YBFXNURJSA-N 313.744 3.006 50 40 DGGB CC1(C)Cc2cc(/C=N\NC(=O)Cc3ccccc3)ccc2O1 408710943 ZDBALGUOLOEBLK-MOSHPQCFSA-N 308.381 3.093 50 40 DGGB Cc1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252478239 AGBPWJIALGQIAC-HRADPRCWSA-N 302.374 3.449 50 40 DGGB C/C(=N/NC(=O)c1sc(=S)n(C)c1C)c1ccccc1 13109329 PJDJXYFQRBXBFX-DHDCSXOGSA-N 305.428 3.279 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)c2cnc3ccccc3c2)cc1 1735773 GCGOWNLWEBLUMU-CIAFOILYSA-N 318.380 3.065 50 40 DGGB in-vitro O=C1c2cc3c(cc2CCCC[C@@H]1Br)OCCO3 544264 BHDGJXSZRBKILK-NSHDSACASA-N 311.175 3.130 50 40 DGGB CCN1CCC[C@H]1CNC(=O)CCCC[C@@H]1CCSS1 42037035 ROFNCWBUKFALJH-UONOGXRCSA-N 316.536 3.301 50 40 DGGB biogenic CC(C)CC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 5907134 BGEQCDBUVAXNMO-UHFFFAOYSA-N 304.177 3.192 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2)cc1 33903329 VGEJICPFPXXSKE-ZHZULCJRSA-N 307.397 3.359 50 40 DGGB CC(=O)Oc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1 19805762 QITXAKAWYPRVAQ-GOSISDBHSA-N 322.364 3.103 50 40 DGGB CCN(NC(=O)[C@H](C)OCc1ccccc1)c1ccc(C)cc1 40088875 WBFBFEQNUYUUAT-INIZCTEOSA-N 312.413 3.458 50 40 DGGB CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)c2cccs2)c1 569148 RAWFPIVJJZYHAB-LLVKDONJSA-N 318.398 3.000 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 349046 JUASEBWQOYKRBR-RGVLZGJSSA-N 321.380 3.314 50 40 DGGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccco2)c1 59473331 XPXWJDZSITYDFL-RQZCQDPDSA-N 302.399 3.280 50 40 DGGB C[C@@H](I)C(=O)Nc1cccc(Cl)c1 72226322 VRDBCEVSVIGPMI-ZCFIWIBFSA-N 309.534 3.102 50 40 DGGB CC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223201746 VTZGYDAWLCSNRM-ZDUSSCGKSA-N 307.825 3.110 50 40 DGGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1N 41213531 DDCGKZYXFILPBA-CIAFOILYSA-N 319.364 3.195 50 40 DGGB O=C(NNC(=O)c1cccc(Cl)c1Cl)c1cccs1 569153 FXNGMLCHDAQYKI-UHFFFAOYSA-N 315.181 3.130 50 40 DGGB CC(C)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 6513053 NORCUIIXUHMJKY-NTEUORMPSA-N 307.397 3.483 50 40 DGGB CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H]1COc2ccccc2O1 5288759 NTYJVVPBPVQPRZ-PGFNBVDCSA-N 322.364 3.032 50 40 DGGB Cc1ccc(NCC(=O)N/N=C\c2ccc(Cl)s2)cc1 5740398 NDTSFJYPTKVZGN-IUXPMGMMSA-N 307.806 3.272 50 40 DGGB O=C(Cc1cccs1)N/N=C\c1ccccc1C(F)(F)F 16449106 WLMOEKBPJGSADT-NVMNQCDNSA-N 312.316 3.460 50 40 DGGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1cccs1 5544573 BNQGYLYTBAYAQK-LDADJPATSA-N 315.398 3.191 50 40 DGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccco1 90735 ACRBRWAWWYIADB-CYBMUJFWSA-N 322.299 3.027 50 40 DGGB N#CSc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 8843812 CVNHZPLYTOJUPJ-CYBMUJFWSA-N 310.378 3.450 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] 409369567 DAPBAMIKARDIGN-JYRVWZFOSA-N 323.308 3.155 50 40 DGGB Cc1cc(C(=O)NNC(=O)c2csc3c2CCCC3)cs1 4852208 BYXDGTIPNNNWJN-UHFFFAOYSA-N 320.439 3.072 50 40 DGGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1 59514886 VHEKDGUMRTZHAA-WOJGMQOQSA-N 313.357 3.028 50 40 DGGB O=C(Cc1cccs1)N/N=C\c1cccc(Br)c1 30702631 SQHBHSHQSAFREF-DHDCSXOGSA-N 323.215 3.203 50 40 DGGB COc1cccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c1 5720962 JKSSHYYYUMLLAC-UDWIEESQSA-N 320.348 3.318 50 40 DGGB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)C(C#N)=C(N)O1 71008 GYCFDAQVLCSFLX-OAHLLOKOSA-N 312.369 3.112 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 13842589 MPZLRYSXPORHPJ-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409240660 LROCCUYLSROELA-JXAWBTAJSA-N 320.392 3.351 50 40 DGGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(C)c(C)c1 409388656 WABRBJCKVHDSSY-HMMYKYKNSA-N 301.434 3.066 50 40 DGGB Cc1cccc2cc(/C=N/NC(=O)c3ccncc3)c(Cl)nc12 5577419 QLSJHDMTGSOQMK-KEBDBYFISA-N 324.771 3.356 50 40 DGGB [C-]#[N+][C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 95686560 FSVLATNYQZFZTR-HNNXBMFYSA-N 316.338 3.295 50 40 DGGB O=C(N/N=C\c1ccc(-c2ccccc2)o1)c1ccccc1O 13110478 AHNMIMJVEMDAKH-UNOMPAQXSA-N 306.321 3.416 50 40 DGGB CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1 8733020 UOQROBOSBGUCQJ-VXGBXAGGSA-N 310.825 3.272 50 40 DGGB N#CCC(=O)N/N=C\c1cccc(OC/C=C/c2ccccc2)c1 32578326 IDGAITUTOFJLFJ-XMBZDNCSSA-N 319.364 3.143 50 40 DGGB CCC[C@@H](NC(=O)NNC(=O)c1ccoc1C)c1ccccc1 32795483 QCPKBMLRLHCEDF-OAHLLOKOSA-N 315.373 3.073 50 40 DGGB COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(C)o2)c1 17032434 TYPUODFPUYYUNI-XYOKQWHBSA-N 312.325 3.151 50 40 DGGB COc1ccc(/C=N/NC(=O)CCc2c[nH]c3ccccc23)cc1 1500402 WYHUYUGMNKEUOV-CIAFOILYSA-N 321.380 3.259 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1C 408838130 RRQQOKVIVAVSGP-VCHYOVAHSA-N 311.341 3.284 50 40 DGGB COc1ccccc1NC(=O)N/N=C\c1cc(C)c(O)c(C)c1 105207848 HDWITTLUZDIDHT-ZDLGFXPLSA-N 313.357 3.173 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)c(OC)c1 16790632 LTYPOFXGIKTKDA-GXDHUFHOSA-N 314.385 3.060 50 40 DGGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(N)=O)c1 408885598 CPRYNCLIXDYBIL-LICLKQGHSA-N 306.365 3.275 50 40 DGGB COc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1C(=O)Cl 45957558 ADMOXRZFSKEJHG-UHFFFAOYSA-N 312.753 3.219 50 40 DGGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1O 3945093 JCNKTPSNRRGFGF-UKTHLTGXSA-N 305.337 3.352 50 40 DGGB CC[C@H](C)/C(C)=N/NC(=O)CSc1nc2ccccc2[nH]1 4864380 AWPBOUKQBDKNOZ-DWTJURIWSA-N 304.419 3.193 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccccc1 260812 NKELWBLDTPCVMQ-FYJGNVAPSA-N 318.380 3.253 50 40 DGGB Cc1cc(NC(=O)/C(C#N)=C\c2ccco2)n(-c2ccccc2)n1 6683727 AEWZEQVADMMGBV-KAMYIIQDSA-N 318.336 3.319 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1 408797715 SNRPROLXTMPRES-FMIVXFBMSA-N 312.350 3.080 50 40 DGGB O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccncc1 409009529 ATNIJXBKPOSQOM-RGVLZGJSSA-N 309.300 3.245 50 40 DGGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1F 38488005 GRZTUYRJPZZLIR-UHFFFAOYSA-N 314.341 3.425 50 40 DGGB Cc1ccc2c(c1)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260624781 USWOXWSNUYUXOW-CZUORRHYSA-N 303.450 3.102 50 40 DGGB CC(C)(C)OC(=O)N1CC[C@H](Br)C(F)(F)C1 606303235 QTVNGEUYJJYPQQ-ZETCQYMHSA-N 300.143 3.026 50 40 DGGB CC(C)=NNC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 5217312 VEUDZDBHDUTSJW-UHFFFAOYSA-N 307.703 3.283 50 40 DGGB O=C(CCl)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 165423 WCIRWWWNBGZXQH-ZDUSSCGKSA-N 316.710 3.395 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1770515 GKKPDVVQZLXIHW-UKTHLTGXSA-N 311.293 3.115 50 40 DGGB Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2c(c1)CCC2 69813653 QWECDBLQLFCKKE-UHFFFAOYSA-N 317.820 3.480 50 40 DGGB CCCOc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1 33361218 IXUZFKWBNFRYNK-UNOMPAQXSA-N 300.333 3.378 50 40 DGGB CCOc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1OC 136945398 RGEUDIWAGSEPHF-PDGQHHTCSA-N 313.357 3.250 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1O 5069418 QBBJPPMIRUKLHS-BZOBAROVSA-N 314.385 3.003 50 40 DGGB N#CCC(=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 494089 VFKAURGZGFDJHR-UDWIEESQSA-N 302.337 3.199 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc(F)c1 59137364 LKYIDRGCYAKPHY-DHDCSXOGSA-N 311.360 3.228 50 40 DGGB CO[C@@H](C(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 58915882 ULYXHSCYKDCYIV-GDXCHIGESA-N 320.751 3.317 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccc(C)cc2C)cc1OC 2790744 RCENATUMDWLBHK-YBFXNURJSA-N 312.369 3.085 50 40 DGGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccs1 4735269 KCEKAYGSEXTAFI-OQLLNIDSSA-N 323.215 3.203 50 40 DGGB Cc1cc(C(=O)[C@@H](Br)CBr)ccc1F 307223676 ZWOSCTWNFSJNSH-QMMMGPOBSA-N 323.987 3.475 50 40 DGGB NNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 216737748 XSCRLHBCULGQHJ-UHFFFAOYSA-N 304.655 3.222 50 40 DGGB C[C@](Br)(C(=O)O)[C@H](Br)c1ccccc1 1755191 TWPSWLFBYHEOGG-PSASIEDQSA-N 321.996 3.361 50 40 DGGB O=C(NNC(=O)c1ccccc1Cl)c1ccccc1Cl 164732 KDOJIUDRKBXHGD-UHFFFAOYSA-N 309.152 3.068 50 40 DGGB biogenic CCN(CC)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1 408845529 GHVIXTFMGHUPHS-OWBHPGMISA-N 301.390 3.045 50 40 DGGB NNC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cl)nc2c1 216921069 CODOXTZTIZRAOI-UHFFFAOYSA-N 321.167 3.140 50 40 DGGB O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccc(F)cc1 4121486 DYMPFTNLEOPKNX-UHFFFAOYSA-N 323.299 3.471 50 40 DGGB O=C(N/N=C/c1cc(Br)ccc1F)c1ccccc1 7930256 DZRHPAZDWNHIMM-RQZCQDPDSA-N 321.149 3.352 50 40 DGGB CCN1CCC[C@@H]1CNC(=O)CCCC[C@H]1CCSS1 108237255 ROFNCWBUKFALJH-KGLIPLIRSA-N 316.536 3.301 50 40 DGGB biogenic O=C(CCl)N(Cc1ccc(Br)cc1)C1CC1 32187384 IDUUNZNKIJEROC-UHFFFAOYSA-N 302.599 3.179 50 40 DGGB Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CBr 72417591 OQOSZLLKHYCAAQ-UHFFFAOYSA-N 320.186 3.095 50 40 DGGB O=C(CBr)c1cccc(C(F)(F)F)c1[N+](=O)[O-] 169801763 STAIRNHXTCHXPW-UHFFFAOYSA-N 312.041 3.191 50 40 DGGB Cc1cccc(OCC(=O)N/N=C2\CCCc3ccccc32)c1 584892 QWWFJJHLCKJCNW-CZIZESTLSA-N 308.381 3.231 50 40 DGGB COc1ccc2c(C(=O)[C@H](C)CBr)cn(C)c2c1 34925374 GPRZMXNBNAEJAG-SECBINFHSA-N 310.191 3.401 50 40 DGGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2O)cc1 408567220 KVMIKPJTANNRRK-DEDYPNTBSA-N 310.397 3.383 50 40 DGGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cn(C)c2ccccc12 409380663 PFWUZQXWIBEOOY-GDNBJRDFSA-N 318.380 3.274 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 5021175 ZEQULRLHFNCTKT-MZUTVZNLSA-N 316.401 3.246 50 40 DGGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 8220694 CCMXXPQBVNZPOR-NCEZTRIPSA-N 323.396 3.191 50 40 DGGB COc1cc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1O 13952845 NIXVYTRRBBGZJX-VTLGGBRFSA-N 324.380 3.045 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccccc2O)c2ccccc12 257055 WQZRVRLJBVVOMR-UDWIEESQSA-N 320.348 3.318 50 40 DGGB COc1cccc(OC)c1/C=N/NC(=O)c1ccc(Cl)cc1 6583703 KGFANFXTFUZLMV-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB CC1(C)[C@]2(C)CC[C@]1(Br)[C@H](Br)C2=O 100837560 YEXZCNXNSPYHTN-DRTBCBBWSA-N 310.029 3.293 50 40 DGGB COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 20248011 BITFRBXFMFRENW-RNEAKCBISA-N 314.410 3.326 50 40 DGGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 3410930 VHKDZSVKRHWDHD-UHFFFAOYSA-N 314.410 3.092 50 40 DGGB COc1ccc(/C=C/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408966212 KMUDRIOFLJQOFS-QFPUGKHMSA-N 323.327 3.135 50 40 DGGB N#C/C(=C/C1=Cc2ccccc2OC1)S(=O)(=O)c1ccccc1 6496048 UMCNFTWVHVXCQF-BOPFTXTBSA-N 323.373 3.344 50 40 DGGB COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1C 8757305 KVUWSEPUVBCGMU-RVDMUPIBSA-N 308.385 3.386 50 40 DGGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12 409378493 QEAQCGVYUXNFPL-ZROIWOOFSA-N 304.353 3.264 50 40 DGGB CC1(CC(=O)N/N=C\c2ccc(Cl)cc2)SCCS1 32116893 QSNKEVAOBUDBAE-DHDCSXOGSA-N 314.863 3.376 50 40 DGGB NNC(=O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 216948519 KZLMWTKKVZPUNW-UHFFFAOYSA-N 317.751 3.086 50 40 DGGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 97990617 ULRNUTQODGDZOO-SDQBBNPISA-N 322.792 3.179 50 40 DGGB O=Cc1ccc(OCCBr)c(Br)c1 575411003 UZTAZORWOJKRKZ-UHFFFAOYSA-N 307.969 3.035 50 40 DGGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1n[nH]c(N)c1C#N 6668782 ZLMYRPFHYMSOAF-FPYGCLRLSA-N 304.140 3.235 50 40 DGGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)cc1 23382682 STAPCNIQKUZQBD-YBFXNURJSA-N 305.293 3.175 50 40 DGGB Cc1ccc(C(=O)NNC(=O)N[C@@H](C)CCCC(C)C)cc1 29327532 DTBFBIRAFCNJKT-AWEZNQCLSA-N 305.422 3.154 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2cn(C)c3ccccc23)cc1 4834638 AHIYBPCKYSINEE-DEDYPNTBSA-N 321.380 3.341 50 40 DGGB COc1ccc(CC(=O)N/N=C2/CCCc3ccccc32)cc1 32704957 FQSVIKPJIWYOFK-ZZEZOPTASA-N 308.381 3.095 50 40 DGGB NC(c1ccc(Cl)cc1)=[N+]([O-])C(=O)c1ccccc1CCl 1083147403 WGXNMVFBYKQNAN-UHFFFAOYSA-N 323.179 3.135 50 40 DGGB COc1ccc(/C=C(\C#N)S(=O)(=O)C2CCCCC2)cc1 151444 YPZURQDNAVOEDU-LFIBNONCSA-N 305.399 3.307 50 40 DGGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1O 31093 XDZHWLIROXDXTG-CIAFOILYSA-N 319.364 3.108 50 40 DGGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(SC#N)cc3)C(=O)[C@@H]2C1 102082928 ZZEHRNOHYOWJJX-DDTOSNHZSA-N 300.383 3.185 50 40 DGGB CC(/C=C/c1ccco1)=N\NC(=O)c1cc(Cl)ccc1O 13524262 UILGZOPYAIEXTJ-ZUCBPKHASA-N 304.733 3.458 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 4562302 GPDDZBDSCLYQMV-AWQFTUOYSA-N 319.767 3.350 50 40 DGGB CC(C)(C)OC(=O)n1nc(CBr)c2cnccc21 72190632 XIJBYCOALABVGR-UHFFFAOYSA-N 312.167 3.109 50 40 DGGB COc1ccc(CCCC(=O)N/N=C\c2cccs2)cc1 4906937 NTGPPPZDXSZYGV-ATVHPVEESA-N 302.399 3.230 50 40 DGGB O=C(N/N=C/c1ccc2ccccc2c1)c1cc(O)cc(O)c1 3196395 XBBTVLYOXBNXRG-YBFXNURJSA-N 306.321 3.015 50 40 DGGB Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 2068211 MBWDBSATNNTEHA-UHFFFAOYSA-N 302.242 3.031 50 40 DGGB C[C@H]1C/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)CC(C)(C)C1 5786159 ZAMPSNTUFPSGHD-UYAJNHIYSA-N 316.401 3.145 50 40 DGGB Cc1csc(/C(C#N)=C\c2ccc(N3CCOCC3)cc2)n1 96843811 CQVUPSORHPDEJS-GDNBJRDFSA-N 311.410 3.352 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1 408971083 LSHKFPMZAORZJO-YBFXNURJSA-N 324.336 3.214 50 40 DGGB Cc1cc(C)c(OCC(=O)N/N=C/c2cccs2)c(C)c1 356811 PJKCRSFBNNNEDU-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1 106068720 VYPMNOXFJCTADC-PSSRRWJFSA-N 300.402 3.362 50 40 DGGB CCOc1ccccc1/C=N\NC(=O)Cc1ccc(C)cc1C 216038373 YAAVJDZFACSXSP-MOSHPQCFSA-N 310.397 3.395 50 40 DGGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(O)c1 5362367 DJFZNNNUPCAORJ-OOIIIRTPSA-N 300.383 3.023 50 40 DGGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 58886785 RJCIKAHIFWYKKX-PUMYGXPMSA-N 316.788 3.304 50 40 DGGB C/C(=N\NC(=O)CSc1ccccc1)c1ccc(F)cc1 58915712 CVHQFTBCKMDXGI-LDADJPATSA-N 302.374 3.458 50 40 DGGB Cn1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c2ccccc21 33319052 OUZXXCIDPGMJSI-FBHDLOMBSA-N 316.364 3.424 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)s1 6215723 CXJQAIKBLBCERN-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB Cc1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 8982750 GSYDVWYUJIJCGE-UHFFFAOYSA-N 305.721 3.314 50 40 DGGB C/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(F)cc1 17206789 FXQZDXARQIDJOL-UYRXBGFRSA-N 300.333 3.053 50 40 DGGB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3CC[C@H]2[C@H]3Cl)cc1 257350972 BIUHZYBFROEDBT-ZZVYKPCYSA-N 300.807 3.106 50 40 DGGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(Br)cc1 408816063 QTQZGNYTPBKEPW-MJWAUXSNSA-N 307.191 3.271 50 40 DGGB C=CCN(Cc1ccc(Br)s1)C(=O)CCl 8155956 MUZSJNLYEDOYGT-UHFFFAOYSA-N 308.628 3.264 50 40 DGGB [C-]#[N+][C@@H](Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 104899694 JQICRJHRGKSUNP-MRXNPFEDSA-N 303.358 3.396 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1cccs1 409101239 APYFMVVWFNJOBF-WQRHYEAKSA-N 317.389 3.251 50 40 DGGB CC(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12 408998390 UJNFWEPTHCEGEE-RGVLZGJSSA-N 305.381 3.468 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cn1 30803113 HFDMQEFVUXWEHI-LSCVHKIXSA-N 308.168 3.461 50 40 DGGB CCOc1ccc(C(=O)N/N=C\c2ccc3c(c2)CCC3)cc1 37246069 ZDZIFDVENUJOAP-MOSHPQCFSA-N 308.381 3.338 50 40 DGGB CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2cc(C)c(C)cc21 223213726 UYXNWHXKBMEHLN-QGZVFWFLSA-N 315.461 3.320 50 40 DGGB [C-]#[N+][C@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 95686562 XTRBMIRETKHRKF-INIZCTEOSA-N 315.350 3.116 50 40 DGGB Cc1[nH]nc2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 5646395 NGDFAGAHUUPVBY-OAHLLOKOSA-N 308.385 3.234 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Br)o1 101087787 PUEFWQHWNZYJCA-AIBMTFTQSA-N 311.179 3.194 50 40 DGGB Cc1nnc(NC(=O)CCCC[C@H]2CCSS2)s1 23627148 MWPMGSYRXQUVEX-VIFPVBQESA-N 303.478 3.499 50 40 DGGB biogenic Cc1cc(C(=O)CCl)c(C)n1-c1ccc2c(c1)OCCO2 3289726 MEJKHNWAWMQUFC-UHFFFAOYSA-N 305.761 3.287 50 40 DGGB CC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccncc1 27397209 JQTXMZKGDIIRER-BKQORJHRSA-N 316.792 3.076 50 40 DGGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1O 3471595 NJCIXXKGKFMXII-DJKKODMXSA-N 308.259 3.175 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1O 5069545 SSEXOAKWLMWRSD-SWKXHUPFSA-N 314.385 3.003 50 40 DGGB Cc1cccc(/C=N/NC(=O)CSCCc2ccccc2)c1 408725840 ILMRTHLTSUSJEN-CPNJWEJPSA-N 312.438 3.421 50 40 DGGB CCCC(CCC)=NNC(=O)Cc1nc2ccccc2n1C 20823776 SBKUKWTWBJVFLU-UHFFFAOYSA-N 300.406 3.188 50 40 DGGB CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 3235538 KIJXLXQRZXRNNO-RGVLZGJSSA-N 324.380 3.477 50 40 DGGB Cn1c(SCCCCl)nnc1-c1ccc(F)c(F)c1 113696984 JTYIJNUNIZZGBL-UHFFFAOYSA-N 303.765 3.481 50 40 DGGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NN(C)c1ccccc1 13002043 ZVYACYYJTBSTAF-GFCCVEGCSA-N 304.777 3.275 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 511998 GQAMOVUOTAODPZ-UDWIEESQSA-N 305.381 3.478 50 40 DGGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccco1 14134789 BEQOHBIJKMCEHT-DEDYPNTBSA-N 318.332 3.209 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2)cc1 5070479 FWCWVOFHDTWHEZ-GXDHUFHOSA-N 308.337 3.249 50 40 DGGB N#C/C(=C/c1ccc(Br)o1)C(=O)NC1CCCC1 409193287 IQHAAZKADIPPMA-CLFYSBASSA-N 309.163 3.008 50 40 DGGB Cc1ccccc1/C=N/NC(=O)COc1cccc2cccnc12 408760904 AVLSGLSIWDILIK-CIAFOILYSA-N 319.364 3.072 50 40 DGGB Cc1ccccc1NCC(=O)N/N=C/c1cccc(Cl)c1 220467 FPAIRSFCRVPRBF-VXLYETTFSA-N 301.777 3.211 50 40 DGGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(O)c1 356215 MTTWRIJLHOPIEN-YBFXNURJSA-N 321.336 3.120 50 40 DGGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccco1 5322048 AFCSQKKZVMHXMQ-QGZVFWFLSA-N 309.369 3.344 50 40 DGGB COc1ccc(CC(=O)NN=C2CCCCCCC2)cc1OC 5514273 IFVAVLBNCLQKNF-UHFFFAOYSA-N 318.417 3.463 50 40 DGGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)Cn3cnc4ccccc43)[C@@H]1C2 102404583 XJEUMGMDWPDCAG-CQWYDTSVSA-N 322.412 3.131 50 40 DGGB N#C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc2ccccc2o1 3021315 TUVHKMMVWHSYDP-MDZDMXLPSA-N 321.292 3.208 50 40 DGGB O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)C(Cl)Cl 3185151 ZNCZRFMTQVJFJX-RGEXLXHISA-N 320.179 3.061 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1ccccc1 5739480 QUMJKRFWQIWJAH-RGVLZGJSSA-N 306.369 3.039 50 40 DGGB O=C(CCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 5849473 ZHJLHAOWFYEIOC-UHFFFAOYSA-N 318.716 3.003 50 40 DGGB COC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 179715 XVPFZIBTENOCFA-VIZOYTHASA-N 323.692 3.198 50 40 DGGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccco1 354610 OFFLQDBHWDFKNG-YBFXNURJSA-N 314.385 3.415 50 40 DGGB NC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 58822464 AYAMGWODMPKWGR-CIAFOILYSA-N 319.364 3.421 50 40 DGGB [C-]#[N+][C@H](Cc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 101033504 HQUOYOUCIVWVPH-INIZCTEOSA-N 303.358 3.396 50 40 DGGB O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)s2)n[nH]1 8980466 SBWQMAIWRGSYOS-VIZOYTHASA-N 320.761 3.149 50 40 DGGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 9971499 NQNMPLVRKBMMOC-QGZVFWFLSA-N 308.337 3.009 50 40 DGGB CC/C(Cc1ccccc1)=N/NC(=O)c1ccc(N(C)C)cc1 408954791 NNJJAEIDOQUBSY-JZJYNLBNSA-N 309.413 3.491 50 40 DGGB O=C(/C=C/c1cnc(-c2ccccc2)nc1)NNc1ccccc1 33714454 KIKKYNIOPRXBOL-VAWYXSNFSA-N 316.364 3.300 50 40 DGGB CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2c(C)cccc21 260624978 XCZAHXNTRHBKTQ-HNNXBMFYSA-N 301.434 3.011 50 40 DGGB C[C@]12C(=O)C[C@@H](C[C@H]1Br)[C@@]2(C)CBr 245204317 SPFMPLHTTYXRFI-KHUVANEUSA-N 310.029 3.150 50 40 DGGB Cc1ccccc1NC(=O)COC(=O)/C(C#N)=C/c1ccccc1 3301708 LLKLXVHZAYWYGV-LFIBNONCSA-N 320.348 3.084 50 40 DGGB CCOC(=O)C(C)(C)c1ccc(C(=O)CBr)cc1 675083013 FZQQICRPHDLZMJ-UHFFFAOYSA-N 313.191 3.105 50 40 DGGB O=C(Nc1ccccn1)c1ccccc1NC(=O)C(Cl)Cl 60017038 HNOIANTTXBOMMI-UHFFFAOYSA-N 324.167 3.076 50 40 DGGB CCOc1ccc(CC(=O)N/N=C/c2cccc(Cl)c2)cc1 10475813 LNNNXGITUXGQLU-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCCCC1 59515760 DWGKPKOESKOBAD-UHFFFAOYSA-N 307.781 3.023 50 40 DGGB Cc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)o1 11183366 JCDFTAUMTMFMAZ-FMIVXFBMSA-N 318.340 3.163 50 40 DGGB O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1ccccc1Br 6226919 ULIQFSGKYRMOLZ-ZWCUAMBASA-N 307.191 3.355 50 40 DGGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN1CCCCC1 59436945 XMWJKWCTBIGWFI-CAPFRKAQSA-N 315.461 3.332 50 40 DGGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccs1 19816253 ZCNUWAHXHFHFBQ-CYBMUJFWSA-N 318.423 3.103 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Nc2ccccc2)cc1 369869 WFIJMTZGJFGVGC-ZXOFLVKFSA-N 311.385 3.036 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2cn(C)c3ccccc23)cc1 512002 XIABRWAMLPNQBP-UDWIEESQSA-N 305.381 3.180 50 40 DGGB O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 4589936 OISCHZIBTPGMOX-UHFFFAOYSA-N 306.709 3.397 50 40 DGGB O=C(N/N=C/c1ccccc1F)c1ccc(N2CCCC2)cc1 7384915 KYMZUHQUKHAZFY-DEDYPNTBSA-N 311.360 3.190 50 40 DGGB CC1CCN(c2ccccc2N2C[C@@H](C(=O)Cl)CC2=O)CC1 57328210 PDDTUJAPPMZOCF-ZDUSSCGKSA-N 320.820 3.041 50 40 DGGB COc1ccc2[nH]cc(/C=C(\C#N)C(=O)Nc3cc(C)on3)c2c1 61719825 UROAAMWRWCGVEZ-IZZDOVSWSA-N 322.324 3.019 50 40 DGGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12 238922 UDVFDTNZWTXITC-WSDLNYQXSA-N 316.364 3.342 50 40 DGGB CC[C@@H](Nc1ccc(C)cc1C)C(=O)N/N=C/c1ccncc1 370274 YAKDEUKFQRYLBU-DDLUMYACSA-N 310.401 3.039 50 40 DGGB O=C(N/N=C1/C[C@H]2CC[C@H]1C2)c1ccccc1Br 103800332 ULIQFSGKYRMOLZ-XYMKADJISA-N 307.191 3.355 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1 408875746 KNBDXYQLRJCOND-LFBMQIBJSA-N 317.433 3.402 50 40 DGGB Cc1cccc(NCC(=O)N/N=C/c2ccccc2Cl)c1 4739492 FVMCYBDEIZBDQL-VXLYETTFSA-N 301.777 3.211 50 40 DGGB COCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)o1 409020863 UWFAOMPWQGUHAX-JLHYYAGUSA-N 315.300 3.182 50 40 DGGB O=C(N/N=C\c1ccc(-c2ccccc2F)o1)c1cccnc1 33408262 PXVZPGUZBOTNBJ-JAIQZWGSSA-N 309.300 3.245 50 40 DGGB COc1c(Br)cc(CBr)cc1[N+](=O)[O-] 169801379 LBFGFQJFTYLZMZ-UHFFFAOYSA-N 324.956 3.261 50 40 DGGB CC(C)O[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 255004232 VBCCRFGEAJEXLD-CAOSSQGBSA-N 324.262 3.448 50 40 DGGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(C2CC2)cs1 17155421 MLNSKBIRUJIGBG-XYOKQWHBSA-N 310.382 3.096 50 40 DGGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(O)cc1 370432 BYOQTXYAQLJOOI-FYJGNVAPSA-N 319.364 3.403 50 40 DGGB CC(C)O[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 100019279 VBCCRFGEAJEXLD-QXSJWSMHSA-N 324.262 3.448 50 40 DGGB C=CCc1cccc2cc(C(=O)NNc3ccccc3)c(=O)oc12 5377505 MUXYPZYZGBETMA-UHFFFAOYSA-N 320.348 3.278 50 40 DGGB Cc1ccsc1C(=O)NNC(=O)c1oc2ccccc2c1C 9314022 PLXZIYGAKSOZKV-UHFFFAOYSA-N 314.366 3.186 50 40 DGGB COc1ccc2c(c1)[C@@](C)(c1ccccc1)CC/C2=N/NC(N)=O 31667257 VIVJIWYZBZUTOD-JUJXNAJKSA-N 323.396 3.167 50 40 DGGB O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1ccncc1 3136431 QKXYBZXMWZAZKF-WSDLNYQXSA-N 314.348 3.480 50 40 DGGB O=C(COc1ccccc1)NNc1ccccc1C(F)(F)F 8036284 QOQITUQZIVLBDG-UHFFFAOYSA-N 310.275 3.228 50 40 DGGB COC(=O)/C(C#N)=C1\CCCCC[C@@H]1C(SC)=C(C#N)C#N 59662355 VCHHUXSSOAPNQG-REQDGWNSSA-N 315.398 3.224 50 40 DGGB CC1(C)OP2(O)(OC(C)(C)c3ccccc32)c2ccccc21 104208159 UYGONASCLBPRFY-UHFFFAOYSA-N 316.337 3.459 50 40 DGGB CC/C(=N\NC(=O)c1ccccn1)c1ccc(OC(F)F)cc1 5416114 VDNAKOMEXJPACI-DEDYPNTBSA-N 319.311 3.227 50 40 DGGB N#C/C(=C/c1ccccc1F)C(=O)NCCCc1ccccc1 409230968 HJCADJFETREWLX-LGMDPLHJSA-N 308.356 3.482 50 40 DGGB N#C/C(=C\c1ccccc1OCC(=O)O)c1nc2ccccc2o1 409058733 STHFBEVKCWPXKX-UKTHLTGXSA-N 320.304 3.355 50 40 DGGB CC(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 38375748 OWUGDLIIVAFKKR-NVNXTCNLSA-N 307.147 3.179 50 40 DGGB C[C@H](O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104086749 VDGCNVKYAYAJGG-SFHVURJKSA-N 322.388 3.094 50 40 DGGB O=C(N/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1 510208 LHVMJBSFERATBZ-DJKKODMXSA-N 308.259 3.175 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)c2ccccn2)cc1C(C)C 59166106 NPDNJCQDDODIBP-RGVLZGJSSA-N 311.385 3.286 50 40 DGGB CC(C)(C)n1nc(C2CC2)cc1C(=O)NNc1ccc(F)cc1 45080582 ZABPDTAZNZCKFQ-UHFFFAOYSA-N 316.380 3.412 50 40 DGGB CCn1c(C)cc(/C=N/NC(=O)c2ccc(C)cc2OC)c1C 409065849 NVFQHOPUOZZWFT-YBFXNURJSA-N 313.401 3.206 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cccc(C)c2O)c(Cl)c1 9190639 UCBKHPPHMULJNQ-GIJQJNRQSA-N 302.761 3.426 50 40 DGGB NC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 27319704 KGCLQYJJYBYXOV-RQZCQDPDSA-N 305.790 3.493 50 40 DGGB CC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223203407 YUEAHKUZZHPVEA-ZFWWWQNUSA-N 303.450 3.164 50 40 DGGB COc1ccc(CC(=O)N/N=C/c2cccc(Cl)c2)cc1 585318 JKONLFRMOSRXEC-WOJGMQOQSA-N 302.761 3.041 50 40 DGGB O=C(CCl)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 2212780 ZCLKUDMKIPAMPQ-NVNXTCNLSA-N 314.724 3.447 50 40 DGGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccco1 13549287 JRHDKBKJZAZLQS-OQLLNIDSSA-N 307.147 3.196 50 40 DGGB CNC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C 208234884 YQJJPILHKJPSEJ-PBTLCFMXSA-N 311.429 3.370 50 40 DGGB O=C(N/N=C/c1cccc2ccccc12)c1cc(O)ccc1O 13321395 YSYZPMYGOJBILY-YBFXNURJSA-N 306.321 3.015 50 40 DGGB COc1ccccc1C(=O)NNc1c(F)c(F)cc(F)c1F 4592744 DNQGTASRQSZDQJ-UHFFFAOYSA-N 314.238 3.009 50 40 DGGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(C)C 408544206 UBMSYOFCKAMITO-QPEQYQDCSA-N 304.415 3.313 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccccc1)c1ccc(F)cc1 4740767 RKAACXLJHIRTBS-DEDYPNTBSA-N 307.328 3.380 50 40 DGGB O=C(CSCCc1ccccc1)N/N=C/c1ccccc1F 408728240 XVQFAJZRWRAWDK-XDHOZWIPSA-N 316.401 3.252 50 40 DGGB COc1ccc(/C=N/NC(=O)CSc2ccccc2C)cc1 59665 SLPYHLMBQXDLQV-WOJGMQOQSA-N 314.410 3.246 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101158580 WKQINNLAGRDHIH-NUSAQUPXSA-N 301.346 3.137 50 40 DGGB CC1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)CC1 57332312 DPHIGSNOOZLCNQ-CYBMUJFWSA-N 320.820 3.041 50 40 DGGB COc1ccc([C@@H]2C(C#N)=C(C(C)(C)C)Nc3ncnn32)cc1 2485345 QDVBREUGTZAUML-CQSZACIVSA-N 309.373 3.125 50 40 DGGB C/C(=N\NC(=O)c1ccc2ccccc2c1O)c1ccc(O)cc1 4550355 QXZXHLSWGRJVDQ-UDWIEESQSA-N 320.348 3.405 50 40 DGGB C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846163 MUIQTJTZPHPQKB-GOSISDBHSA-N 319.364 3.052 50 40 DGGB CN1c2ccccc2Sc2cc(/C=C(\C#N)C(N)=O)ccc21 409144074 IBVXJFFBXSHYDR-XYOKQWHBSA-N 307.378 3.311 50 40 DGGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Cl)c1O 409257265 PQGQTVHYYHPDAM-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccn1 31079 YMTJLVLYFGTOHS-HADWXUJASA-N 318.380 3.186 50 40 DGGB O=C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 5337146 BZAYYFRXTVJTNO-PKNBQFBNSA-N 309.281 3.388 50 40 DGGB Nc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 225007 BQCNMTNAKVVGMN-QGMBQPNBSA-N 308.168 3.340 50 40 DGGB O=C(O)CC/C(=N\NC(=O)CCc1ccccc1)c1ccccc1 4652103 RXWORHZPQOWBBT-LVZFUZTISA-N 324.380 3.005 50 40 DGGB CC(C)(C)OC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 7853252 ZJDYIZULYRKXJN-JJPRUIFNSA-N 310.222 3.241 50 40 DGGB O=C1c2ccccc2C(=O)N1c1ccc(CBr)cc1 1748597 WTLKCCRXVZCOSY-UHFFFAOYSA-N 316.154 3.382 50 40 DGGB CC(C)OC(=O)/C(C#N)=C\c1ccc(F)c(Br)c1 96669601 WUCBNXIPBQQXNQ-YHYXMXQVSA-N 312.138 3.447 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 408719300 BLFGUIBDHOQEBX-XDHOZWIPSA-N 312.369 3.246 50 40 DGGB O=C1c2cc(Br)ccc2CC[C@@H]1Br 64219946 DNAUTQZTWADWAH-VIFPVBQESA-N 303.981 3.342 50 40 DGGB C=C(C)CSC1=C(C#N)C2(CCCCC2)[C@@H](C#N)C(=O)N1 4133225 RTSLBUFNFUQYGI-LBPRGKRZSA-N 301.415 3.251 50 40 DGGB CS(=O)(=O)O[C@H](CCl)c1ccc(Cl)cc1Cl 299754568 RLMONYZNSJOXOH-SECBINFHSA-N 303.594 3.250 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OC 5475792 BDVVLVBKUSYCFR-XDHOZWIPSA-N 312.369 3.166 50 40 DGGB Cc1ccc(NN(NC(=O)OC(C)C)C(=O)OC(C)C)cc1 1590262 RWJMJUMYPBUIQA-UHFFFAOYSA-N 309.366 3.219 50 40 DGGB Cc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)s1 2727434 PEIFXEPJEWWPJC-AWEZNQCLSA-N 300.383 3.180 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1 7009443 YNBOSOISFIZUHV-FYJGNVAPSA-N 323.396 3.122 50 40 DGGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccc(C)cc2C)c1 59472487 FQFHJALGXMNFAA-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB Cc1cc(SC#N)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 12809722 GOPJCJHODQYDCJ-OLZOCXBDSA-N 316.382 3.174 50 40 DGGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1 253499305 POTCWKXLEUUCSD-LBPRGKRZSA-N 302.761 3.258 50 40 DGGB N#C/C(=C\c1ccc(N2CCCC2)o1)C(=O)NCc1ccccc1 573836 TUCCISNHLIWTLG-FOWTUZBSSA-N 321.380 3.103 50 40 DGGB CCCC(CCC)=NNC(=O)Cc1ccc(OC)c(OC)c1 59515910 NUIVUFLBXOJQLP-UHFFFAOYSA-N 306.406 3.319 50 40 DGGB COc1ccc(CC(=O)N/N=C(/C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100355925 QHCWNDHTNWAHPQ-JKLHJBKFSA-N 300.402 3.166 50 40 DGGB CN(C)C(/C=C/Nc1ccc(Br)cc1)=C(C#N)C#N 100924328 QGIROQGHZQHYIP-BQYQJAHWSA-N 317.190 3.238 50 40 DGGB CCCC/C(C)=N/NC(=O)C(=O)Nc1cc(Cl)ccc1C 59434256 JLYYEZIMCSBBHL-WOJGMQOQSA-N 309.797 3.269 50 40 DGGB N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)NC1CC1 48984969 QJRVIUQLYPNGDO-BJMVGYQFSA-N 301.396 3.057 50 40 DGGB CN(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 5393708 OSDUDIFBUXPTHK-WOJGMQOQSA-N 301.777 3.170 50 40 DGGB O=C(COc1ccccc1)N/N=C\c1ccccc1C(F)(F)F 35179988 CDMBMCPYLPSDGU-JMIUGGIZSA-N 322.286 3.235 50 40 DGGB N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(Cl)c1 15844 XAWRFDNPGGENJE-IZZDOVSWSA-N 314.728 3.297 50 40 DGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 8103672 HTDWTINRQDHXEM-YBFXNURJSA-N 322.320 3.316 50 40 DGGB Cc1ccccc1/C=N/NC(=O)c1ccc(Br)o1 482759 FNISYJLIMRFFEK-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB O=C(NNc1ccccc1)c1cc2cc(Cl)ccc2oc1=O 8381427 NBRRGKONXYRHSM-UHFFFAOYSA-N 314.728 3.203 50 40 DGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 15938720 UOJZZYWIZIMJEH-LZYBPNLTSA-N 322.773 3.284 50 40 DGGB CC(C)N(C(=O)CCl)C1CCN(Cc2ccccc2)CC1 79393739 AYVDDCXJMQUVSK-UHFFFAOYSA-N 308.853 3.127 50 40 DGGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1c(F)cccc1Cl 288854 JSIUIWVFLJCPFR-AWEZNQCLSA-N 315.735 3.279 50 40 DGGB O=C(NNc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCC1 42065038 TYTTZIKAEXWZAD-UHFFFAOYSA-N 311.341 3.160 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1 107876947 FVRXWYSPGILYJJ-LTGPJGNYSA-N 300.402 3.362 50 40 DGGB CC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223203457 YUEAHKUZZHPVEA-DZGCQCFKSA-N 303.450 3.164 50 40 DGGB Fc1c(I)cccc1CBr 95917626 IXGDCKOOLQXQRS-UHFFFAOYSA-N 314.923 3.325 50 40 DGGB O=C(N/N=C\c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 15938169 MDLUDOBZLZYCIK-SXGWCWSVSA-N 303.705 3.012 50 40 DGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccncc1 59167546 VACWVGZHJUBUGF-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(CCl)cc(=O)c12 13140522 VLKCFNLPRDDNJC-UHFFFAOYSA-N 308.168 3.414 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccccc2OC(C)C)cc1 408603032 PSYLVXZMDFIQOY-XDHOZWIPSA-N 312.369 3.246 50 40 DGGB CO[C@H](C(=O)N/N=C1\CCCC[C@H]1CCC#N)c1ccccc1 408720131 TUCLPKWMZZRLEK-ZDWDIULSSA-N 313.401 3.340 50 40 DGGB CCOC(=O)/C(C#N)=C1/Nc2ccccc2[C@H](c2ccccc2)N1 6242101 PLJFSALUCCMRKH-LXMVLSBBSA-N 319.364 3.089 50 40 DGGB Cc1ccc([C@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1 55175171 BRGPONYFBJWUNS-INIZCTEOSA-N 301.353 3.054 50 40 DGGB Cc1occc1C(=O)N/N=C/c1cc(C)n(CC(C)C)c1C 6608153 DANRGZNJZNFWSH-GIJQJNRQSA-N 301.390 3.426 50 40 DGGB N#CC1=C(N)C2=CCCC[C@@H]2[C@@H](c2ccccc2)C1(C#N)C#N 16037315 PLHRKJLUDYEQLW-WMLDXEAASA-N 300.365 3.280 50 40 DGGB NNC(=O)c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 216948240 YWJJDBBAZZFKOJ-UHFFFAOYSA-N 317.751 3.086 50 40 DGGB Cc1cc(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)no1 44919984 VGMYGUGWAVICDW-XYOKQWHBSA-N 306.325 3.020 50 40 DGGB Cc1ccc(F)cc1N1C=C(C#N)S(=O)(=O)c2ccccc21 38488008 XRZUYCHYJUUKSZ-UHFFFAOYSA-N 314.341 3.425 50 40 DGGB CCCOc1ccc(/C=N\NC(=O)c2ccco2)cc1OCC 58885292 CJJNJKBHGGBPDO-PDGQHHTCSA-N 316.357 3.231 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N2CCCCCC2)cc1OC 1450974 GXKWFIYHXGOSKD-RVDMUPIBSA-N 314.385 3.013 50 40 DGGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1 408719943 QFKVCBNXXBUUHJ-OOIIIRTPSA-N 300.383 3.023 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1 193377589 HHNXKLWBYQNMFX-BOPFTXTBSA-N 306.365 3.227 50 40 DGGB Cn1cc(C(=O)N/N=C\c2c[nH]c3ccccc23)c2ccccc21 96577917 GSAXZZGVMLXNDW-NHDPSOOVSA-N 316.364 3.424 50 40 DGGB C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 254515139 ZEMNDQUOMWGCAZ-PLCOFKSKSA-O 307.417 3.002 50 40 DGGB biogenic,in-vitro CC(C)/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5230151 CPWSQWKRVHLJBZ-FBMGVBCBSA-N 311.341 3.385 50 40 DGGB Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CCl)[C@@H]3CCC1 360190 FKJAKGFIQJNVFO-CXAGYDPISA-N 318.848 3.242 50 40 DGGB CCN1CCC[C@H]1CNC(=O)CCCC[C@H]1CCSS1 108237259 ROFNCWBUKFALJH-KBPBESRZSA-N 316.536 3.301 50 40 DGGB biogenic N#C/C(=C1\NC(=O)c2ccccc21)c1nc2ccccc2s1 104204776 QKUNOVQUGFYDGC-NTCAYCPXSA-N 303.346 3.432 50 40 DGGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334994 IGZFAGGCVODWQS-GHXNOFRVSA-N 322.792 3.133 50 40 DGGB N#C/C(=C\c1cc(F)ccc1F)c1nnc2n1CCCCC2 44022543 YVEVQIVACZAYSI-XYOKQWHBSA-N 300.312 3.347 50 40 DGGB COc1cccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)c1 169878476 FMTKLXZHVJIIIT-XDHOZWIPSA-N 312.369 3.246 50 40 DGGB O=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1c(F)cccc1Cl 152672 ZGWWQPJNZPCJIS-UHFFFAOYSA-N 323.663 3.419 50 40 DGGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 45302 ZZBPTUDLYINQJR-NDENLUEZSA-N 324.409 3.195 50 40 DGGB C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)OC(C)(C)C 101465751 QWHIKHJGPJLZSU-LDADJPATSA-N 311.426 3.116 50 40 DGGB Cc1ccc(/N=C(O)/C(C#N)=C/c2ccncc2)c([N+](=O)[O-])c1 4561423 ZICWEXMQNOZDAO-UKTHLTGXSA-N 308.297 3.493 50 40 DGGB C/C(=N\NC(=O)Cc1c(Cl)cccc1Cl)c1cccnc1 15933687 QVVJANFVSSWTLH-VXLYETTFSA-N 322.195 3.471 50 40 DGGB COc1cc(/C=C(\C#N)C(N)=O)ccc1O[C@H](C)c1ccccc1 41082798 UHNCAHNZADKAMV-BVTUPMQUSA-N 322.364 3.227 50 40 DGGB Cc1ccccc1-n1nc2c(c1NC(=O)CCCl)CSC2 3893234 HAJJMHBOGCOPHP-UHFFFAOYSA-N 321.833 3.495 50 40 DGGB N#CC1(NC(=O)C(Cl)Cl)c2ccccc2-c2ccccc21 1713223 HJDYGPMZZYQNHC-UHFFFAOYSA-N 317.175 3.354 50 40 DGGB COC(=O)C[C@@H](CBr)O[Si](C)(C)C(C)(C)C 170025005 RRSTXYQWLLMMTG-VIFPVBQESA-N 311.292 3.335 50 40 DGGB COc1ccc(/C(=C/C=C(C#N)C#N)N2CCSCC2)cc1 2385038 PGASEGCDSIWAOB-IDUWFGFVSA-N 311.410 3.058 50 40 DGGB COc1ccc(C(=O)NNc2ccc(Br)cc2)cc1 6230336 FGBBREUVJBATJN-UHFFFAOYSA-N 321.174 3.215 50 40 DGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1[C@@H]1C=CCCC1 39940564 FVZOAPHIVYVRCH-IAQYHMDHSA-N 320.348 3.319 50 40 DGGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1 408795053 KXOSKLYPMHUSEZ-SDNWHVSQSA-N 309.369 3.454 50 40 DGGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccncc3)cc2c1 2201466 QZUZSNUIVBHAKE-KEBDBYFISA-N 324.771 3.356 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4173364 SBWDKZHVDWOBJN-RAXLEYEMSA-N 323.308 3.149 50 40 DGGB COc1cc2c(cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1)OCO2 6229981 APAFSKOVVIBOKH-ACAGNQJTSA-N 324.292 3.396 50 40 DGGB Cc1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1Cl 6256254 OBXFPQUPJLMLLP-QGMBQPNBSA-N 304.781 3.058 50 40 DGGB COC1CCC(/C(C#N)=C\C2CCC(NC(C)=O)CC2)CC1 1735525 JBRSPHKIXKWNSS-WJDWOHSUSA-N 304.434 3.336 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cn1 30803117 UJZJGACAWASUNH-WSVATBPTSA-N 308.168 3.461 50 40 DGGB N#C/C(=C/c1cccnc1)c1nc2ccc(Cl)cc2c(=O)[nH]1 5571765 UYUMAZCCXMGWKV-WDZFZDKYSA-N 308.728 3.036 50 40 DGGB CCc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 409363252 KUINMJQRTWDLLC-ZHZULCJRSA-N 309.413 3.008 50 40 DGGB O=C(Cc1ccccc1)N/N=C\c1ccccc1C(F)(F)F 33361603 SHGLGNFBIGIQBN-JAIQZWGSSA-N 306.287 3.398 50 40 DGGB CC/C(=N\NC(=O)c1cccc(F)c1)c1ccc(OC)cc1 17024936 BKHZTQKLJLLGMC-KNTRCKAVSA-N 300.333 3.378 50 40 DGGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 7157982 IXJQORVZLFBIAB-MRJXLTKZSA-N 311.429 3.354 50 40 DGGB CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nn2ccccc12 1567023 BSMUJWKDWACCHV-NTCAYCPXSA-N 317.348 3.471 50 40 DGGB CC(C)(C)c1ccc(C(=O)NNc2ncc(Cl)cn2)cc1 72427706 FRTSHLQGDCBGAU-UHFFFAOYSA-N 304.781 3.184 50 40 DGGB C/C(Cc1c[nH]c2ccccc12)=N\NC(=O)c1ccc(N)cc1 33318996 JUBWPCQEWKVRLP-CIAFOILYSA-N 306.369 3.099 50 40 DGGB Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1 146470 JTCDYANDPWGJRF-DHZHZOJOSA-N 314.772 3.123 50 40 DGGB O[C@]1(c2ccccc2)CN(CCl)C[C@H](c2ccccc2)O1 4792084 XJXACMLAUGTSFM-IAGOWNOFSA-N 303.789 3.102 50 40 DGGB CCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 100500793 HQPIOKYETOHZRO-JSGCOSHPSA-O 306.854 3.278 50 40 DGGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F 59117189 AMZYGAUVVZFKAU-XFXZXTDPSA-N 311.272 3.280 50 40 DGGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(O)cc3)cc2C1 3389204 XQWQMDGFMZYXCV-VDCVXVNISA-N 314.410 3.342 50 40 DGGB CC(C)C(=O)N(C)N(C)C(=O)[C@H](C)c1cccc2ccccc12 18193568 CPRMQRKDNJNGRY-CQSZACIVSA-N 312.413 3.431 50 40 DGGB O=C(CCc1ccccc1)N/N=C/c1ccc(Br)o1 48508613 RJZMFTXDOFPXHG-MHWRWJLKSA-N 321.174 3.125 50 40 DGGB CCc1ccc(-c2cc(C(=O)N/N=C\c3ccccc3)[nH]n2)cc1 33295300 WENZUGWHODCYQW-MOSHPQCFSA-N 318.380 3.403 50 40 DGGB CC1(C)CCC2=C(C1=O)[C@H](c1cccs1)C(C#N)=C(N)O2 4599428 CFOWZPGAUPOOFG-LBPRGKRZSA-N 300.383 3.199 50 40 DGGB CC[C@@H](C)/C(C)=N/NC(=O)CSc1nc2ccccc2[nH]1 4864379 AWPBOUKQBDKNOZ-NFDWGTCTSA-N 304.419 3.193 50 40 DGGB CCC/C(=N\NC(=O)CSc1ccccn1)c1ccccc1 4869560 UPVOCQFWBIZOLY-XDJHFCHBSA-N 313.426 3.494 50 40 DGGB CCC(/C=N\NC(=O)CCCC(=O)N/N=C/C(CC)CC)CC 17420164 MEMKKCBZXAGORC-MGYAYREDSA-N 324.469 3.233 50 40 DGGB Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccc2n1C 59421098 ZMNQTWRMXDZROX-CIAFOILYSA-N 320.396 3.049 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(OC)c1 3195369 DRPYFNHKEYQZHS-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccnc1 17052592 NYMZIMJMYUTWCC-KPKJPENVSA-N 313.744 3.289 50 40 DGGB Cn1cccc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 409107194 QVAIUPIYUDKYSB-RQZCQDPDSA-N 301.733 3.189 50 40 DGGB O=C(Cc1ccc(Cl)cc1)N/N=C\c1ccc([N+](=O)[O-])s1 5069217 WYAUTAQLBINCFI-NVNXTCNLSA-N 323.761 3.003 50 40 DGGB O=C(N/N=C/c1ccnc2ccccc12)[C@H]1C[C@@H]1c1ccccc1 5561136 NYWKZTMSLGJEIF-HWPLOXAPSA-N 315.376 3.489 50 40 DGGB N#C/C(=C\c1cccc(Br)c1)C(=O)NC1CCCC1 6828791 KVJLUKNCEBPFTG-XYOKQWHBSA-N 319.202 3.415 50 40 DGGB Cc1cc(C)cc(N/C=C(\C#N)C(=O)NCc2ccccc2)c1 102599611 RJYUWXJEFNPKEF-GHRIWEEISA-N 305.381 3.439 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(Cl)c1OC 13141589 AKGUIPYGJHEBDL-VZUCSPMQSA-N 309.749 3.216 50 40 DGGB C[C@@H](/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 6249259 JJYQEGLDMKOGER-HTMJNSLASA-N 311.341 3.043 50 40 DGGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccccc2O)cc1 409121998 WJFZPABBIYTTCQ-VBEHJTROSA-N 314.410 3.332 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1 573923 VGEJICPFPXXSKE-XSFVSMFZSA-N 307.397 3.359 50 40 DGGB N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 13122546 PKSICNCDUOITAL-HNNXBMFYSA-N 321.771 3.398 50 40 DGGB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCl)cc1 3886419 SHJLQZYINYAOPF-UHFFFAOYSA-N 316.788 3.102 50 40 DGGB CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1noc(CCl)n1 70453748 YDZOFYWBNLZVPA-GFCCVEGCSA-N 323.780 3.423 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1OCC 573541 FWTUSVTXJIQXCO-WOJGMQOQSA-N 316.357 3.149 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 5282511 KMWAHLOZZBVMDN-ZIPUBWIGSA-N 321.424 3.397 50 40 DGGB CC(=O)O[C@H](C)[C@]12CC[C@H](C=C1C#N)CN2Cc1ccccc1 5028984 AUYUQMTWUXZUJU-LSBZLQRGSA-N 310.397 3.053 50 40 DGGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)Nc1cccc2ccccc12 17784468 BEHBQKGBIHFATN-FKEKPDDDSA-N 323.396 3.429 50 40 DGGB NNC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 226322268 OGKBCZOZFILRCA-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB COCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993701 XCGMHUUAUMLYBC-UHFFFAOYSA-N 318.329 3.255 50 40 DGGB Cc1cc(Br)c(NC(=O)CBr)cc1C 1560650 VDWXFUHRHNJQLP-UHFFFAOYSA-N 321.012 3.399 50 40 DGGB COCCNC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 3255939 KSKVVHPKLAGUTL-FOWTUZBSSA-N 322.364 3.148 50 40 DGGB O=C(N/N=C1/C[C@H]2CC=C[C@H]12)c1ccc(Br)cc1 13140281 JNQAKOOKMZFIKF-FZCVSMTESA-N 305.175 3.131 50 40 DGGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 33896523 ANRXFLOWYGRAPO-YPFGEGOLSA-N 315.373 3.445 50 40 DGGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 33304686 POAYSIIMMFFBIC-SXGWCWSVSA-N 303.705 3.012 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1ccc(Br)s1 524541 NIYBRFOLHRUXRB-OQLLNIDSSA-N 323.215 3.203 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)c(C)c1 3023318 ZOWGCTIKKSMIBY-VXLYETTFSA-N 316.788 3.486 50 40 DGGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NC1CC1 7164059 BCOBGCYAUGLPFR-FMIVXFBMSA-N 323.308 3.040 50 40 DGGB C[C@H]1CCc2c(sc(NC(=O)C(Cl)Cl)c2C#N)C1 4040817 RLMATJQOGFRTCM-LURJTMIESA-N 303.214 3.487 50 40 DGGB FC(F)(F)Cn1cc(-c2nc(Cl)cc(CCl)n2)cn1 72226246 JJUJZFYBUJHBEZ-UHFFFAOYSA-N 311.094 3.295 50 40 DGGB COc1ccc(F)cc1[C@H](C)NC(=O)/C(C#N)=C\c1ccco1 585139872 HVBMBXJLUCLJBG-LCFDYFRESA-N 314.316 3.212 50 40 DGGB Cc1nc2c([nH]1)OC(N)=C(C#N)C21CCC(c2ccccc2)CC1 5687097 CMYFSGRYTSZVHC-UHFFFAOYSA-N 320.396 3.400 50 40 DGGB COc1cc(/C=N/NC(C)=O)ccc1O[C@@H](C)c1ccccc1 4510671 PVYYHYDQEYFBMP-HCZVKUGISA-N 312.369 3.305 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(OCC)cc2)c1 8082114 SANFMLYCKQROFU-XSFVSMFZSA-N 324.380 3.414 50 40 DGGB O=[P@](O)(c1ccccc1)[C@@H]1CCCC[C@@H]1Br 5084936 YKPJDKBLZRRVMS-NWDGAFQWSA-N 303.136 3.288 50 40 DGGB O=S(=O)(c1ccccc1)C1[C@@H]2CCC[C@@H]1C2Br 100708514 LQMIJFBUGYDFGM-OKZRHMCRSA-N 315.232 3.022 50 40 DGGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccs1 55072146 NBAZMNSNHMEJGD-UHFFFAOYSA-N 313.426 3.130 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(C)c2C)cc1Cl 409057758 WJCYJQIVXUZBIL-GIJQJNRQSA-N 303.793 3.368 50 40 DGGB NNC(=O)c1cn(Cc2ccc3ccccc3c2)c2ccccc12 216947700 HCMSEHYURGEZPS-UHFFFAOYSA-N 315.376 3.446 50 40 DGGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2ccco2)n[nH]1 5685565 GWLHTMXGQVFWON-TZLNKHHCSA-N 320.352 3.489 50 40 DGGB CC1(C)[C@@]2(Br)CC[C@@]1(C)C(=O)[C@H]2Br 100837562 YEXZCNXNSPYHTN-WHFVKQHSSA-N 310.029 3.293 50 40 DGGB COc1cccc2c(/C=C(\C#N)C(N)=O)c(-c3ccccc3)[nH]c12 58834368 ANNGSBOPVDRQFQ-JLHYYAGUSA-N 317.348 3.236 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 1093579 STBWOPRBLQVDGC-XNTDXEJSSA-N 319.364 3.335 50 40 DGGB CCOc1cccc(/C=N/NC(=O)Cc2ccc(C)cc2C)c1 20194850 FMIVQMNCPNKBNM-DEDYPNTBSA-N 310.397 3.395 50 40 DGGB Cc1sccc1/C=N/NC(=O)c1ccc(Br)o1 4113250 YBUDFUMFKYGSFB-AWNIVKPZSA-N 313.176 3.176 50 40 DGGB Cc1ccc(F)cc1NC(=O)c1c(C)nn(CCCl)c1C 72283572 SMGIENYRUJMUOD-UHFFFAOYSA-N 309.772 3.439 50 40 DGGB C[C@@H]1CC=CC[C@@H]1[C@H]1OC[C@H](COC(CCl)CCl)O1 254607157 LFSDIKGFYKMUGR-SAXRGWBVSA-N 309.233 3.193 50 40 DGGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 8220698 CCMXXPQBVNZPOR-AWWQTPIYSA-N 323.396 3.191 50 40 DGGB CCN1c2ccc(/C=C(/C#N)C(=O)NC)cc2C(C)=CC1(C)C 208516550 SIFNVMUWVZGBEX-DHDCSXOGSA-N 309.413 3.361 50 40 DGGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(O)cc1 3343291 CRECUBHZFRMINT-DJKKODMXSA-N 308.259 3.175 50 40 DGGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 408801687 WXUFJZXDSKEHKF-NCPSJORJSA-N 316.401 3.304 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 252496739 PQOCZPQDSKHKJV-GHXNOFRVSA-N 312.281 3.243 50 40 DGGB CC(C)(C)OC(=O)NNC(=O)Nc1cccc2ccccc12 6262594 XJMZNKMAUPHYBG-UHFFFAOYSA-N 301.346 3.401 50 40 DGGB O=C(N/N=C/c1ccc(-n2ccnc2)cc1)c1ccccc1Cl 7899940 WXNOAVNSKBTLDD-RGVLZGJSSA-N 324.771 3.290 50 40 DGGB Cc1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252478240 AGBPWJIALGQIAC-LQZLSNDWSA-N 302.374 3.449 50 40 DGGB CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N(C)C)o2)cc1 37491 PZJNWNUIMQUZPV-XNTDXEJSSA-N 308.337 3.144 50 40 DGGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccsc1 20149795 GEELKHQNUBNCBV-ZDUSSCGKSA-N 318.423 3.103 50 40 DGGB Cc1c(O)ccc2c1CCC/C2=N/NC(=O)c1cccc(F)c1 100310630 JZGGDPOJSQPUCR-SILNSSARSA-N 312.344 3.310 50 40 DGGB Cc1cc2c(cc1/C=C(/C#N)c1ccc(C(=O)O)cc1)OCO2 6826305 SWBVKVTUBQZEIE-CHHVJCJISA-N 307.305 3.486 50 40 DGGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1O 6959492 RCKGVZBCDYKEDM-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB CC(=O)N(C(C)=O)C1=C(C#N)C2(CCCC2)Cc2ccccc21 522430 ASVSEYNZWWRGRG-UHFFFAOYSA-N 308.381 3.433 50 40 DGGB Cc1ccc(C(=O)NNC(=O)N[C@H](C)CCCC(C)C)cc1 29327527 DTBFBIRAFCNJKT-CQSZACIVSA-N 305.422 3.154 50 40 DGGB Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c2ccccc2n1 15503449 SMNKTIACVRAVFX-UHFFFAOYSA-N 322.324 3.208 50 40 DGGB Cc1cc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc(C)c1O 39747129 CIIMPDROHJZDRI-NTEUORMPSA-N 317.348 3.310 50 40 DGGB CCOc1ccc(C(=O)NN)cc1CSc1ccc(C)cc1 224658667 OEGWYFWENRNEPX-UHFFFAOYSA-N 316.426 3.290 50 40 DGGB N[C@H](Cc1ccc(S(F)(F)(F)(F)F)cc1F)C(=O)O 97950040 PUSFGUGVVDWOJU-MRVPVSSYSA-N 309.231 3.438 50 40 DGGB O=C(N/N=C/c1ccc2ccccc2c1O)c1cccc(F)c1 5704952 AISBNBJTVNUINC-RGVLZGJSSA-N 308.312 3.448 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)c1 5942934 ORVQMMGLBSXKBP-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408761118 BZNHUVJDUWEMCY-MHWRWJLKSA-N 320.348 3.466 50 40 DGGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(N)=O 408809684 IOFFTJNRYKWVFR-NTEUORMPSA-N 312.756 3.311 50 40 DGGB Cc1ccc(SS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1714924 YCDHTGFBBLBXML-UHFFFAOYSA-N 309.368 3.384 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C/c1cccc(Cl)c1 222087 CCERERQRIFFWFQ-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB Cc1cccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)c1 420647 CFZMJSVFYIVYOX-UHFFFAOYSA-N 319.817 3.280 50 40 DGGB NC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 100251043 OBWZUUFGKWQZKH-UHFFFAOYSA-N 320.332 3.243 50 40 DGGB Cc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1 3249291 PHURJMFHDZIWNL-XNTDXEJSSA-N 306.321 3.239 50 40 DGGB N#CC(C#N)=CNc1cccc(-c2nnc3n2CCCCC3)c1 15242135 BOKMBUSKRVGEAX-UHFFFAOYSA-N 304.357 3.014 50 40 DGGB Cc1occc1C(=O)/C(C#N)=C\c1cc(O)c(O)c(Cl)c1 96843693 ABTYXTTVFMYFEZ-WMZJFQQLSA-N 303.701 3.443 50 40 DGGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)ccc2O1 408710744 IARRDJMNFUMIFH-XBUHWIKASA-N 320.348 3.261 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1C 409180457 TUHWLIUXJOUUME-DEDYPNTBSA-N 309.413 3.062 50 40 DGGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 33325990 BDJAQWUJIPHDNG-YVLHZVERSA-N 309.281 3.105 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)c1 48288087 CXBDFMJCCKJKME-DHDCSXOGSA-N 303.321 3.113 50 40 DGGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1 312004 ZLBDZABELKSLGL-LICLKQGHSA-N 311.366 3.070 50 40 DGGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 5393704 BXGONKAJEUBOGX-WOJGMQOQSA-N 301.777 3.170 50 40 DGGB CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 2743370 AOSLCXJAQLADKO-RVDMUPIBSA-N 316.401 3.307 50 40 DGGB COc1ccc(C(=O)C(Cl)C(=O)c2ccc(OC)cc2)cc1 100801973 JRIOAKOVCQDQAY-UHFFFAOYSA-N 318.756 3.377 50 40 DGGB Cc1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 102175969 WQCKQRAGIYUUTD-QBQWUCDFSA-N 301.346 3.055 50 40 DGGB COc1ccc(N[C@@H](C)C(=O)N/N=C(/C)c2ccccc2)cc1 4619247 HEAZJCMOIWSLNC-DABDWFRDSA-N 311.385 3.036 50 40 DGGB C[C@@H](Cl)C(=O)N1CCc2sc(Br)cc2C1 95097546 KRFVINJAAKQAHK-ZCFIWIBFSA-N 308.628 3.023 50 40 DGGB ICc1csc2nc3ccccc3n12 106621 GFGWCDZGQVLXGO-UHFFFAOYSA-N 314.151 3.484 50 40 DGGB CC1(C)[C@H]2CC[C@]1(CBr)C(=O)[C@@H]2Br 4135352 XNGJUGUTYMLWIM-PJKMHFRUSA-N 310.029 3.150 50 40 DGGB COC(=O)CSC1=C(C#N)C(O)=N[C@@H](c2ccccc2)S1 552039 BMVMKTNMDRHJOF-CYBMUJFWSA-N 320.395 3.030 50 40 DGGB CCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 4158416 TZHHYFAGXZSMSF-YBFXNURJSA-N 316.788 3.432 50 40 DGGB O=C(CCl)N(C[C@H]1CCCCN1Cc1ccccc1)C1CC1 79404022 UWCDSFGSXNFNPG-QGZVFWFLSA-N 320.864 3.271 50 40 DGGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 252805 PBMVHAPHQJSMNQ-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1C 5538362 MRAODDWLKBZNKZ-QGOAFFKASA-N 311.341 3.366 50 40 DGGB N#C/C(=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=S 408542920 LQZKTYZQLSFBLS-BHQIHCQQSA-N 302.142 3.095 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccccc1F 408846268 JCYCWOHFPNANAU-MOSHPQCFSA-N 311.360 3.190 50 40 DGGB O=C1[C@@H](Br)CCN1c1cccc(OC(F)(F)F)c1 68591467 ZRFKSOGBVODLEW-VIFPVBQESA-N 324.096 3.085 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(SC)cc1 408749624 RKOLOWJZAPYVNQ-WOJGMQOQSA-N 314.410 3.489 50 40 DGGB CC(=O)Nc1ccc(/C=N\NC(=O)CC2CCCCC2)cc1 31729860 OFLMBTVBZWBGTQ-PDGQHHTCSA-N 301.390 3.066 50 40 DGGB C[C@@]1(C(=O)OCCCCBr)CC1(Cl)Cl 5534768 CSRKDZKZOVYIAK-QMMMGPOBSA-N 304.011 3.289 50 40 DGGB CC(=O)Nc1ccc(S(=O)(=O)[C@@H](Cl)c2ccccc2)cc1 1703095 ZAIRAAJFPBLLFW-OAHLLOKOSA-N 323.801 3.356 50 40 DGGB CC(C)N(C(=O)CN1CCSSCC1)c1ccccc1 89869697 IYYSARVKJQRILZ-UHFFFAOYSA-N 310.488 3.125 50 40 DGGB CC(C)OC(=O)[C@@H](C)N[P@](=O)(Cl)Oc1ccccc1 114020075 SKAAFTUHFLUIKV-DGIBIBHMSA-N 305.698 3.342 50 40 DGGB N#CCOC(=O)c1cccc(-c2ccc(C=C(C#N)C#N)o2)c1 4953920 ULLHENWELKABKP-UHFFFAOYSA-N 303.277 3.058 50 40 DGGB O=C1c2cc3c(cc2CCCC[C@H]1Br)OCCO3 544265 BHDGJXSZRBKILK-LLVKDONJSA-N 311.175 3.130 50 40 DGGB COc1ccc(OC)c(N/C=C(\C#N)C(=O)Nc2ccccc2)c1 57413914 NDGNIOJEAUJVTM-OUKQBFOZSA-N 323.352 3.162 50 40 DGGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl 408800814 REOWFPVUBWENEZ-PQTFEYQYSA-N 322.792 3.179 50 40 DGGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1 408744745 HBBCUVHLAZAGLP-CLFYSBASSA-N 317.688 3.387 50 40 DGGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccccc1 408727377 RNBUQJVFIRZLHW-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB CC1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 30791247 RZBGSRKMAPHZEQ-RVDMUPIBSA-N 324.833 3.211 50 40 DGGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)C1CC1 5862155 PENSPSVLEYSIHI-CXUHLZMHSA-N 305.428 3.291 50 40 DGGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 16406840 QLLDJMPDZQSEFO-KPKJPENVSA-N 311.253 3.273 50 40 DGGB O=C(NNc1nc2c(F)cccc2s1)c1cccc(F)c1 429760 VYZHFWBSSYYGAV-UHFFFAOYSA-N 305.309 3.331 50 40 DGGB CC(=O)Oc1c(C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1596300 BCAUVGPOEXLTJD-UHFFFAOYSA-N 308.290 3.476 50 40 DGGB COc1cc(C)ccc1NC(=O)[C@H](Br)C(C)C 4031988 ZSIMIPWJMVPMHT-GFCCVEGCSA-N 300.196 3.362 50 40 DGGB CC1(C)C[C@](CCNC(=O)CCl)(c2ccccc2)CCO1 509295 VGXDOXJYAHWVLW-QGZVFWFLSA-N 309.837 3.259 50 40 DGGB Cc1ccsc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1C 59447337 BGSGADWMBZPQGZ-OVCLIPMQSA-N 303.343 3.037 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100355914 QHCWNDHTNWAHPQ-LNPGXHCLSA-N 300.402 3.166 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c(O)c1 409390358 COUAUWWCFQIVBF-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB CC1(CC(=O)N/N=C/c2c[nH]c3ccccc23)SCCS1 409223237 GFRIAHBOWPEDJN-LICLKQGHSA-N 319.455 3.204 50 40 DGGB BrC(Br)c1cccc2nccnc12 97950116 UVNTZZRPOFREKY-UHFFFAOYSA-N 301.969 3.418 50 40 DGGB O=C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 3021280 RXIRJCDONJJWDX-PKNBQFBNSA-N 309.281 3.388 50 40 DGGB O=C(CCCC[C@@H]1CCSS1)N1C[C@H]2C[C@H]1CS2 575614996 ANWDBIQGTIFBFX-QJPTWQEYSA-N 303.518 3.417 50 40 DGGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)c(C)c1 6815059 SYNCQOJBFGAQSY-QGOAFFKASA-N 311.341 3.366 50 40 DGGB CCOc1ccc([C@H]2CC(=O)NC(SCC)=C2C#N)cc1 9088977 HXJRSYJSIOTULO-CYBMUJFWSA-N 302.399 3.177 50 40 DGGB Cc1cc2c(cc1O)CCC/C2=N/NC(=O)c1cccc(F)c1 100310239 VOQNOVXOIADBON-SILNSSARSA-N 312.344 3.310 50 40 DGGB N#C/C(=C\c1ccccc1OCC(=O)O)c1ccc([N+](=O)[O-])cc1 409058233 SIYFFVLGRBRFDS-NTEUORMPSA-N 324.292 3.122 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 252497070 PYFBXQMILLLWOS-FLIBITNWSA-N 312.281 3.243 50 40 DGGB COc1ccc(N[C@H](C)C(=O)N/N=C(\C)c2ccccc2)cc1 234000 HEAZJCMOIWSLNC-GNUZOCDUSA-N 311.385 3.036 50 40 DGGB O=C(NN=C(CCl)CCl)c1ccccc1Br 100244248 NNUYWCKNEXHKOK-UHFFFAOYSA-N 324.005 3.013 50 40 DGGB CC[C@H](C)Oc1ccc(/C=N/NC(C)=O)cc1Br 409009468 AGGRLFMAFUWDOX-HVIDBACLSA-N 313.195 3.096 50 40 DGGB C#CCOc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1 408588819 JVNSHVGMSZZFDK-XDHOZWIPSA-N 312.756 3.116 50 40 DGGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccccc1Br 226272728 NQGXKGHXKDPTPM-ZUBUPENXSA-N 319.202 3.377 50 40 DGGB O=C(NNc1nc2ccc(F)cc2s1)c1ccc(F)cc1 4121406 DFNCZFSNBUIVNB-UHFFFAOYSA-N 305.309 3.331 50 40 DGGB COc1cc(C(=O)CBr)c2ccc(Cl)cc2n1 1672298 NONZLWSQBXZAIV-UHFFFAOYSA-N 314.566 3.474 50 40 DGGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccccc1O 366264 ARBAVLNDKREMOX-RGVLZGJSSA-N 319.364 3.321 50 40 DGGB COc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OC 409361693 HUOJGUFDAKEYCL-AUWJEWJLSA-N 309.321 3.497 50 40 DGGB O=C(Cl)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F 95681938 BKZHJOQMNQCFAE-UHFFFAOYSA-N 314.487 3.083 50 40 DGGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)NN=C1CCCCC1 5585200 AMZMNPJWFPXNHK-MRXNPFEDSA-N 303.406 3.322 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(C#N)cc1 59248 WZBYLELFPMMGQK-MRXNPFEDSA-N 319.364 3.009 50 40 DGGB CCCC(=O)Nc1ccc(-c2csc(NNC(C)=O)n2)cc1 548769 CKNSYPMYJIIGLO-UHFFFAOYSA-N 318.402 3.012 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1 111682229 KSTPAPFJSHQQKB-GDNBJRDFSA-N 303.321 3.113 50 40 DGGB C#CCOc1cccc(/C=N\NC(=O)Cc2cc(C)ccc2C)c1 409360349 DWRFRYDYWVNMGS-STZFKDTASA-N 320.392 3.008 50 40 DGGB COc1ccc(/C(C)=N\NC(=O)c2cccc3cc[nH]c23)cc1 503753 BJEVBFPBUIENNM-NDENLUEZSA-N 307.353 3.331 50 40 DGGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(C(C)C)cc1 59515723 KKURNOPAOFAXKD-UYRXBGFRSA-N 303.406 3.431 50 40 DGGB C/C(=N/NC(=O)c1ccco1)c1ccc(Br)cc1 13736751 MBVVAQWLMFGGBU-DHDCSXOGSA-N 307.147 3.196 50 40 DGGB CC(C)COc1ccccc1/C=N/NC(=O)Cc1ccccc1 408600505 BZYAGDQYBWVRQN-DEDYPNTBSA-N 310.397 3.414 50 40 DGGB COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(OC)c1 408542478 LSRUMNBXWKPIIX-DHDCSXOGSA-N 309.321 3.466 50 40 DGGB Cc1ccc(NNC(=O)c2cnc(-c3ccccc3)nc2)cc1 158915019 RRZDBTZVIICHBX-UHFFFAOYSA-N 304.353 3.209 50 40 DGGB Cc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408904434 JIHKLFMYJFHFCI-ZDLGFXPLSA-N 323.308 3.413 50 40 DGGB CC1(C)COc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC1 225370871 OYWXBLGGVDXDQQ-RGVLZGJSSA-N 324.380 3.248 50 40 DGGB N#C/C(=C\c1ccc(O)c(C(=O)O)c1)c1nc2ccccc2[nH]1 584908777 KLEJXCRCXVCMCL-YRNVUSSQSA-N 305.293 3.031 50 40 DGGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccsc3)cc2C1 24309514 ZKYAZZCADHRJBL-VIFPVBQESA-N 320.439 3.009 50 40 DGGB O=C1OC(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]12 68576718 QBTDNXVTAHQRRU-BRSBDYLESA-N 304.345 3.440 50 40 DGGB O=C(NNC(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1 13004147 PWMBESINIUOBIN-UHFFFAOYSA-N 322.320 3.147 50 40 DGGB CCCCCCC(=O)N/N=C1\C(=O)Nc2ccc(Cl)cc21 6591946 JVSQDLSDEUPVCB-UHFFFAOYSA-N 307.781 3.083 50 40 DGGB C/C(=N\NC(=O)COc1ccccc1C(C)(C)C)c1ccco1 4724419 AIZYVROZZRFFEG-CPNJWEJPSA-N 314.385 3.496 50 40 DGGB Cc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1 19639409 DSJMZFMGBMVITG-UHFFFAOYSA-N 301.390 3.150 50 40 DGGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1O[C@H](C)CC 409013903 OJSXLBHWDZUIMF-IYPWXLATSA-N 312.797 3.386 50 40 DGGB N#C/C(=C/c1ccco1)C(=O)NCC1(c2ccccc2)CCC1 98004642 IAKRWEPSDABMON-QINSGFPZSA-N 306.365 3.425 50 40 DGGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NC)cc1OC 6168194 KKBBHGRKMUWNSX-GWHHBTOMSA-N 322.792 3.179 50 40 DGGB COc1ccc(OC)c(/C=C(\C#N)C(=O)NC2CCCCC2)c1 5720287 NVEBBUIUJNAJGW-GXDHUFHOSA-N 314.385 3.060 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc12 357329 DZBRZMBKGYYKTP-UDWIEESQSA-N 320.348 3.318 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 437286 KBHKXEGKPPWYND-RGVLZGJSSA-N 321.380 3.314 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 5880546 NCGRZMOZGLKJEF-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB N#CC1=C(N)OC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 5604241 VMBHHRBMOGGJCL-OAHLLOKOSA-N 300.317 3.102 50 40 DGGB Br[C@@H]1CC[C@@H]2N=C(N/N=C/c3ccccc3)S[C@H]21 5600571 DFGPUHCURMBYPL-JUZJAFBLSA-N 324.247 3.007 50 40 DGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cccn2C)cc1 30820865 ZOCNUMNKBLIUIK-VCRXTVNUSA-N 313.401 3.068 50 40 DGGB COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(C)cc2)cc1O 482127 GWKXZOVZVZIXMO-HZPDHXFCSA-N 317.772 3.405 50 40 DGGB CN1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CCCC2=O 409133969 OEIUNJIVGIPGAF-HNNXBMFYSA-N 313.788 3.070 50 40 DGGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@@H]1c1ccccc1 5808392 SPIMGRICQZDPNI-QGZVFWFLSA-N 303.365 3.072 50 40 DGGB O=C(N/N=C\c1ccc(Br)s1)c1cccs1 13119909 SCCFKSASSBYYBC-SDQBBNPISA-N 315.217 3.336 50 40 DGGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc(O)cc32)cc1 43574 ZVFMXHZSSZEWEW-KRWDZBQOSA-N 308.337 3.009 50 40 DGGB Cc1ccccc1NCC(=O)N/N=C/c1cn(C)c2ccccc12 261664 BCKMKNCYURUEJK-SRZZPIQSSA-N 320.396 3.049 50 40 DGGB C[C@]12C[C@H]3C[C@@](CC(=O)O)(C1)C[C@@]([C@H](Cl)C(=O)O)(C3)C2 104231179 KNKXDTNNKGZUSK-SAFZEOACSA-N 300.782 3.130 50 40 DGGB O=C(N/N=C/c1c(F)cccc1F)c1ccc2ccccc2n1 6566707 RAEZXCUDIRCDCI-KEBDBYFISA-N 311.291 3.277 50 40 DGGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC1CC1 7164058 QRIRANGFWQZMRD-FMIVXFBMSA-N 323.308 3.040 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 13371001 WDKACRGPRYRIAY-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1cccnc1 4708333 GMMUCOITMAKCNB-KRWDZBQOSA-N 317.348 3.396 50 40 DGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccccc2O)c1 4723676 ABECRVIRDAWDDY-UVTDQMKNSA-N 308.337 3.337 50 40 DGGB C/C(=N\NC(=O)c1ccc(Cl)c(C)c1)c1cc(O)ccc1O 409181325 BGLRTTMIPOCJSN-VCHYOVAHSA-N 318.760 3.214 50 40 DGGB CCOc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1O 408954488 XDLIMALZXOTAKX-ODLFYWEKSA-N 324.336 3.301 50 40 DGGB COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2ccccc2F)c1 33362151 HXDQUIMAXWYDNC-WQLSENKSSA-N 312.300 3.086 50 40 DGGB I[C@@H]1CCCN(Cc2ccccc2)C1 79436738 FHTUIQKEZRUTCA-GFCCVEGCSA-N 301.171 3.086 50 40 DGGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1 5745154 PPEGUZJFPOIHPP-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(C)cc2C)cc1 5538253 FNRIRPYGSGBYQK-HMMYKYKNSA-N 310.397 3.395 50 40 DGGB Cc1ccc(-c2ccc(/C=C/C(=O)NN)o2)c(Br)c1 57353770 GQPDKYSXAXDQKU-QPJJXVBHSA-N 321.174 3.021 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1 44028905 MLEISELHEHMBHQ-RIYZIHGNSA-N 307.305 3.214 50 40 DGGB CCCSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 1877162 GBOISGZXZFGHFO-LBPRGKRZSA-N 317.370 3.077 50 40 DGGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)NC1CCCCC1 408858483 SHJBBVYXDJSSDQ-OWBHPGMISA-N 313.401 3.236 50 40 DGGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccco1 288001 OWKMXQZQELEETI-ZRDIBKRKSA-N 310.309 3.002 50 40 DGGB O=C(NNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 296402 CRMABLWTACFMPY-UHFFFAOYSA-N 315.181 3.130 50 40 DGGB aggregator O=C(Cc1ccccc1)NNC(=O)Nc1cccc2ccccc12 3125039 VKDFEBHAGLGHJE-UHFFFAOYSA-N 319.364 3.235 50 40 DGGB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3CC[C@H]2[C@@H]3Cl)cc1 4280498 BIUHZYBFROEDBT-AHLTXXRQSA-N 300.807 3.106 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccccn1 59303337 BAWYXSLYYPOZHC-UDWIEESQSA-N 324.771 3.290 50 40 DGGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1c[nH]c2ccccc12 58887218 BICAEJHTKMCLLI-KOMLCTQHSA-N 321.380 3.132 50 40 DGGB CC(C)=C[C@@H]1[C@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 5785854 MQNYUOGAJXCNIN-NUUDIBSWSA-N 315.373 3.283 50 40 DGGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 130855 ZLCYSASPZFJWRC-CAOOACKPSA-N 309.152 3.463 50 40 DGGB CCOC(=O)[C@@]1(Br)CCCC[C@@H]1Br 1563646 PFKBMFSALPTIHN-IONNQARKSA-N 314.017 3.021 50 40 DGGB Cc1cc(C(=O)N/N=C/CCc2ccccc2)ccc1[N+](=O)[O-] 4662591 MTOFXYJDYANELC-WOJGMQOQSA-N 311.341 3.252 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1C 3023259 QVNGUHMKDQZYEK-VXLYETTFSA-N 316.788 3.486 50 40 DGGB COc1cccc(NC(=O)NNc2nc3ccccc3s2)c1 11559405 PSOSEJNYPXZURY-UHFFFAOYSA-N 314.370 3.454 50 40 DGGB CC/C(C)=N\NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 15134637 LVUOGAWAQOMWPJ-XESZTULISA-N 323.396 3.060 50 40 DGGB Cc1cc(C)cc(C2(C(=O)NNc3nc(C)cc(C)n3)CCC2)c1 84083635 BTOSLRDMDXTAAF-UHFFFAOYSA-N 324.428 3.275 50 40 DGGB COc1ccc(C(=O)NN)cc1COc1ccc2ccccc2c1 224308944 XDPVFSIXQSGYEQ-UHFFFAOYSA-N 322.364 3.031 50 40 DGGB COc1ccccc1[C@H]1C(C#N)=C(N)OC(C(C)(C)C)=C1C#N 548390 AYMXNVPUXLDPBV-OAHLLOKOSA-N 309.369 3.327 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105395090 QHCWNDHTNWAHPQ-RIJRMMKISA-N 300.402 3.166 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 24374430 AHTLPAKQPGZCSY-LFIBNONCSA-N 320.348 3.327 50 40 DGGB COc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 14003062 DRDPYYRYGWKWAN-WOJGMQOQSA-N 302.761 3.041 50 40 DGGB C=CCc1cc(/C=C(\C#N)C(N)=S)cc(OCC)c1OCC 408542658 KOTUXLXHPPNNJZ-NTEUORMPSA-N 316.426 3.406 50 40 DGGB CCCC[C@H](Br)C(=O)Nc1ccc2c(c1)OCO2 3159559 FBSUIFHGLWEKHQ-JTQLQIEISA-N 314.179 3.308 50 40 DGGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1CCCC1 7738559 SCXBJJCPYLDEBE-UHFFFAOYSA-N 324.306 3.101 50 40 DGGB CCOC(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 409063955 AXGNCCQODFXMIN-YBFXNURJSA-N 316.332 3.485 50 40 DGGB O=[N+]([O-])c1ccc(Br)c(F)c1CBr 169801394 OUKZOARDDXDSCV-UHFFFAOYSA-N 312.920 3.391 50 40 DGGB CCN(NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1 14941176 JIVJWHCACLFSBP-UHFFFAOYSA-N 322.364 3.273 50 40 DGGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)C=C[C@]2(c2ccccc2)C1 100494292 ZIRTUTAGQSEEAH-DGQTTZFYSA-N 316.356 3.152 50 40 DGGB COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1 4370222 KJQFGXGZKWLWNM-RVDMUPIBSA-N 317.348 3.424 50 40 DGGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(F)c1 8752322 NZPJNGJZLVICLG-GHMZBOCLSA-N 320.345 3.004 50 40 DGGB O=C(N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC1 36843742 UEDMKNZKJYGDBV-UBKPWBPPSA-N 311.168 3.281 50 40 DGGB CCc1ccc(C=NNC(=O)COc2ccccc2Cl)cc1 11582380 SLKYFILBJJHXCU-UHFFFAOYSA-N 316.788 3.432 50 40 DGGB C[C@@H]1CC=CC[C@H]1[C@@H]1OC[C@H](COC(CCl)CCl)O1 6183133 LFSDIKGFYKMUGR-YXCITZCRSA-N 309.233 3.193 50 40 DGGB O=C(N/N=C\c1ccc(Br)o1)Nc1ccccc1 408995732 MZQGSCKUIXCYBD-ZSOIEALJSA-N 308.135 3.198 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(C#N)cc1)c1ccccc1 111680183 CSEWJWBTPGAABQ-DZBQEORWSA-N 301.349 3.343 50 40 DGGB N#C[C@H](C(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 409198344 DDYALGBDPWERME-QDBSGRMGSA-N 315.735 3.237 50 40 DGGB CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(Cl)cc21 223207414 WRCGAVKFNKUPMH-UHFFFAOYSA-N 307.825 3.110 50 40 DGGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1 6471382 PVEAZGUWXRFVQM-RMKNXTFCSA-N 317.688 3.387 50 40 DGGB C/C(=N/NC(=O)COc1ccc(C)cc1C)c1cccs1 26465712 NMCSEWMYNCWUJF-LGMDPLHJSA-N 302.399 3.284 50 40 DGGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 3288553 WCWDLTANUIIXDP-RVDMUPIBSA-N 311.385 3.001 50 40 DGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1 3527348 JCPONSSOBNHYEX-UDWIEESQSA-N 324.380 3.446 50 40 DGGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 68722962 MMIBSYJPGOMSOK-SSZFMOIBSA-N 302.333 3.244 50 40 DGGB CC(C)COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 408883573 UYJUABQFRMHNDL-DEDYPNTBSA-N 310.397 3.414 50 40 DGGB Cc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 5618265 WQCKQRAGIYUUTD-QLIVHTOSSA-N 301.346 3.055 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 13964805 ODZMOAAEHRBYBU-QGOAFFKASA-N 311.341 3.366 50 40 DGGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2270931 HSOMSANFLLMOLZ-JLHYYAGUSA-N 324.292 3.491 50 40 DGGB CC[N+](C)(C)CCOP(=O)(c1ccccc1)c1ccccc1 1600173 RWLUBEIWYLNRLA-UHFFFAOYSA-N 318.377 3.028 50 40 DGGB CCCc1cc(C(=O)N/N=C/c2cccn2C)c2ccccc2n1 2806005 CYORLKZSSIIOAX-DEDYPNTBSA-N 320.396 3.290 50 40 DGGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 5370392 QBQLEEOUWSUQRW-LICLKQGHSA-N 317.732 3.402 50 40 DGGB Cn1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc21 408873624 TZYRFICDCMLHLR-OYEXAURXSA-N 309.413 3.455 50 40 DGGB CCCc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 4602256 VEVNNCVDUYQFIS-UHFFFAOYSA-N 316.788 3.367 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc2c(c1)OCO2 4863684 DAJGUZCMQZDNQR-CPNJWEJPSA-N 310.353 3.186 50 40 DGGB O=C(O)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 96221688 ZKWILPHSDPXKSW-GFCCVEGCSA-N 317.476 3.024 50 40 DGGB biogenic COc1ccc(CC(=O)N/N=C/c2ccccc2Cl)cc1 585296 PEWQEXBKAQCQFH-WOJGMQOQSA-N 302.761 3.041 50 40 DGGB CCCc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)o1 10476061 HYHNIZIXIYWCRW-CPNJWEJPSA-N 314.385 3.324 50 40 DGGB Cc1cc(C(=O)CCl)c(C)n1Cc1ccc2c(c1)OCO2 3296693 QRKFJGQGFQQWKF-UHFFFAOYSA-N 305.761 3.303 50 40 DGGB O=C(NNc1ccccc1C(F)(F)F)c1n[nH]c2ccccc12 12780443 NGGVGEGJOFSOGV-UHFFFAOYSA-N 320.274 3.339 50 40 DGGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCCC1 409368539 AZCOHBGZXXXAHN-BJMVGYQFSA-N 311.168 3.228 50 40 DGGB CCCCC(=O)Oc1cccc(/C=C(\C#N)C(=O)OCC)c1 1791007 XUSIWRVKDWRERM-GXDHUFHOSA-N 301.342 3.252 50 40 DGGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1Br 100926784 NQGXKGHXKDPTPM-JJJFEILQSA-N 319.202 3.377 50 40 DGGB N#CC(C#N)=C(C#N)CC(=C(C#N)C#N)c1ccc(Cl)cc1 100955282 NMKOUZQILIGMDV-UHFFFAOYSA-N 303.712 3.398 50 40 DGGB N#CC(C#N)=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 13140834 ADXWJZHSRBORPO-UHFFFAOYSA-N 311.348 3.424 50 40 DGGB CCC[C@H](NC(=O)NNC(=O)c1ccoc1C)c1ccccc1 32795484 QCPKBMLRLHCEDF-HNNXBMFYSA-N 315.373 3.073 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1 2789067 JSMVDZGAYJXOFM-FOWTUZBSSA-N 317.348 3.443 50 40 DGGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccccc1 408996270 CTHDXOHAOOXMOT-UNOMPAQXSA-N 307.353 3.451 50 40 DGGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 4735198 KVIHEWHBHJHZGU-LICLKQGHSA-N 317.732 3.402 50 40 DGGB CCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)c(C)c1 408567337 LWBUJRJUXPQEBA-DEDYPNTBSA-N 310.397 3.395 50 40 DGGB Cc1ccc(/C=C/C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 409071201 FXPAGKDHTUOFTC-DBJUCQNNSA-N 309.325 3.067 50 40 DGGB CCc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1 31776147 SLKYFILBJJHXCU-ODLFYWEKSA-N 316.788 3.432 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1 33471954 GTTJJKHWPLLPJR-GDNBJRDFSA-N 320.348 3.312 50 40 DGGB CCOC(=O)CSC1=C(C#N)[C@@H](C)C2=C(O)CCCC2=N1 6138462 PWEJVTSMEIYSQL-SECBINFHSA-N 306.387 3.105 50 40 DGGB N#C/C(=C/c1ccsc1)C(=O)N1CCN(c2ccccc2)CC1 192595468 XBEMWHNPEOUISH-VBKFSLOCSA-N 323.421 3.004 50 40 DGGB FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Cl)[C@H]1C[C@H]2Cl 100114801 GNKANBMIUWGNED-SQOUGZDYSA-N 302.045 3.056 50 40 DGGB CN(C)c1ccc(C(=O)N/N=C2\CCCc3ccccc32)cc1 5393691 QPAKHDJRJJKLMP-CZIZESTLSA-N 307.397 3.223 50 40 DGGB N#C/C(=C\c1cccc(-c2ccncc2)c1)C(=O)N1CCCC1 96433621 QSXHBJSGCKRAMY-QGOAFFKASA-N 303.365 3.278 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 211435800 ZPCNXGLFNACHQI-SXGWCWSVSA-N 321.336 3.127 50 40 DGGB CCN(CC)CCN(Nc1ccccc1)C(=O)c1ccccc1 5469527 PLGYWDJOKVTBHA-UHFFFAOYSA-N 311.429 3.498 50 40 DGGB C/C=C1/C[N+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 3999826 ZEMNDQUOMWGCAZ-VOYILNJRSA-O 307.417 3.002 50 40 DGGB in-vitro CC(C)(C)C1CCC(=NNC(=O)C(=O)N2CCCCCC2)CC1 59435575 NDUNKLUXVUEATE-UHFFFAOYSA-N 321.465 3.098 50 40 DGGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1cccs1 409365331 QODRXYDDVNZAPY-LICLKQGHSA-N 307.806 3.354 50 40 DGGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccccn1 4587112 ZOXYYSWRPSXYFE-UDWIEESQSA-N 305.337 3.094 50 40 DGGB C#CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408850295 KMSWXRQQQOJUFO-MOSHPQCFSA-N 318.332 3.209 50 40 DGGB NNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216815650 RPQLFQKYOAPWMN-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)Nc2ccccc2C)c1 43991573 WBYNUDIMXONUIA-FYJGNVAPSA-N 324.384 3.499 50 40 DGGB O/N=C/c1ccccc1P(c1ccccc1)c1ccccc1 100012677 XHIVESUSSLEMGJ-HMMYKYKNSA-N 305.317 3.253 50 40 DGGB Cc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)o1 31055 UUFIHGWXTYFQDY-RGVLZGJSSA-N 307.353 3.303 50 40 DGGB COc1ccc(CC(=O)N/N=C(/C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100355920 QHCWNDHTNWAHPQ-GLAWZYSTSA-N 300.402 3.166 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2cn(C)c3ccccc23)c(C)c1 20194527 KCEWLYAEQZFOLI-CIAFOILYSA-N 319.408 3.488 50 40 DGGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1C1CC1 8334201 CGEUOBCUDXELGL-LICLKQGHSA-N 301.415 3.194 50 40 DGGB COc1ccc(NC(=O)CCCCl)cc1Br 6846849 LUAQOFHDDYKYEG-UHFFFAOYSA-N 306.587 3.415 50 40 DGGB N#CS[C@@H]1CSC(SC2=N[C@H](SC#N)CS2)=N1 104263337 NDJNXEMKVJAYSN-PHDIDXHHSA-N 318.499 3.006 50 40 DGGB Cc1ccc(C)c(-n2nc(C)c(/C=C(\C#N)C(=O)O)c2Cl)c1 23738271 OXBCEMXMKLSAJE-KPKJPENVSA-N 315.760 3.443 50 40 DGGB O=C1[C@H](Br)CCN1c1ccc(Cl)cc1Cl 82606636 XJBYHOVONSVERO-SSDOTTSWSA-N 308.990 3.494 50 40 DGGB in-vitro Cc1ccc(Cl)cc1N1CCN(C(=O)CCCCl)CC1 5614592 YDUHWNRQRQRYIO-UHFFFAOYSA-N 315.244 3.316 50 40 DGGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(O)c1 5370492 DJFZNNNUPCAORJ-PBSOMRJOSA-N 300.383 3.023 50 40 DGGB CCOc1cc2c3c(c1)C(=C(C#N)C#N)C(=O)N3C(C)(C)C=C2C 538722 DJPLQHOXNLWJOT-UHFFFAOYSA-N 319.364 3.428 50 40 DGGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)NCc1ccco1 55037324 MLTNDBNHNNSHDH-GHXNOFRVSA-N 316.744 3.165 50 40 DGGB O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccccc1F 5680350 GIOCCUMLKJLQCC-RELWKKBWSA-N 319.339 3.403 50 40 DGGB CS/C(=C(\C#N)S(=O)(=O)c1ccccc1)N1CCCCC1 40478939 HFNGUXVGXNUUKL-CCEZHUSRSA-N 322.455 3.002 50 40 DGGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccn2)cc1 95929091 NSNVRQJRLCMYKS-PTNGSMBKSA-N 308.337 3.131 50 40 DGGB COc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)ccc1O 47826 JIYWMGZYHYOUMW-RQZCQDPDSA-N 319.748 3.210 50 40 DGGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1O 5362382 JSKWKWZJDQYBDI-OOIIIRTPSA-N 300.383 3.023 50 40 DGGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 5370001 ITDHEJWUXDEARK-QGOAFFKASA-N 311.341 3.068 50 40 DGGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 32929372 JWTOOTVXVKXCMK-IUXPMGMMSA-N 321.695 3.151 50 40 DGGB Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 58826161 VZVYRWSTJSTVPT-LFIBNONCSA-N 315.376 3.402 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 4578520 SAQZUMPYBHNQQA-LICLKQGHSA-N 317.732 3.402 50 40 DGGB Cc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccncc2)c(C)c1 6572150 GOANNIPLERLHAP-LICLKQGHSA-N 305.381 3.230 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(Cl)c1 9190553 NHSAZRPSTJDFFY-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc1 79480645 QUQURZHXUIQECN-KRWDZBQOSA-N 317.348 3.395 50 40 DGGB COc1ccc(OC)c(/C=C(/C#N)c2ccc3c(c2)OCO3)c1 409365778 RYVOSEITZNXXLI-AUWJEWJLSA-N 309.321 3.497 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 580463 UJFGVFZTLDKTFP-WOJGMQOQSA-N 311.341 3.482 50 40 DGGB COc1ccc(OC)c(C(=O)CCCCBr)c1 575358474 ZZMUZGOMBUVJPC-UHFFFAOYSA-N 301.180 3.452 50 40 DGGB O=C(NNC(=O)c1ccc(O)cc1)Nc1cccc2ccccc12 6345315 CIDBJVLQNMKCPM-UHFFFAOYSA-N 321.336 3.012 50 40 DGGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 3570374 VWXIFDDWLVFTCZ-RVDMUPIBSA-N 308.337 3.068 50 40 DGGB O=C(N/N=C1/CCSc2c(F)cccc21)c1ccccc1 71928303 IWHVOSZIUYLCGI-JXAWBTAJSA-N 300.358 3.456 50 40 DGGB Cc1cc(/C=N/NC(=O)c2cccc(O)c2)ccc1N1CCCC1 59104760 OTCKQBANICIMRC-DEDYPNTBSA-N 323.396 3.065 50 40 DGGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccncc2)cc1 1319458 BYZBXWGKNFNXBE-PVGUKEHMSA-N 311.385 3.124 50 40 DGGB CC(C)(C)c1noc2c1[C@@H](c1cccs1)C(C#N)=C(N)N2 101481722 UPCQNBINKKGCHK-SNVBAGLBSA-N 300.387 3.285 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1 101692043 FVRXWYSPGILYJJ-PSSRRWJFSA-N 300.402 3.362 50 40 DGGB NCCSSCc1ccccc1CSSCCN 1617559 XFUFGTJDYMOIPD-UHFFFAOYSA-N 320.574 3.367 50 40 DGGB Cc1ccc(C(=O)[C@H](Br)CBr)cc1 306834129 PERABOKURNBNKI-SECBINFHSA-N 305.997 3.336 50 40 DGGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1 408764336 TUPVLXXEOWBUEI-XNTDXEJSSA-N 306.321 3.158 50 40 DGGB COc1ccc(/C(C#N)=C/c2cc(OC)c3c(c2)OCO3)cc1 66091380 OBVONWNQCSVRAT-VGOFMYFVSA-N 309.321 3.497 50 40 DGGB CCCCCCCC(=O)N/N=C1\C(=O)Nc2c(C)cc(C)cc21 3148462 GQWZKISUDHNBCY-UHFFFAOYSA-N 315.417 3.436 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)cs1 3158432 RQASJBNWTHCNGP-OVCLIPMQSA-N 323.215 3.203 50 40 DGGB O=C(NNc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 12761753 VYCAFRMGVVPQHL-UHFFFAOYSA-N 306.709 3.397 50 40 DGGB O=C(CS[C@@H]1CCc2ccccc21)N/N=C/c1ccco1 1574214 SVDDYYFSXGNVMR-ZXMBATIKSA-N 300.383 3.150 50 40 DGGB Cc1c(C(=O)N/N=C/c2ccccc2Cl)cccc1[N+](=O)[O-] 59447312 DJYLCSAQUWFYTH-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cc(C)ccc2O)c(Cl)c1 9190562 NFZDSCUOAGQFGM-GIJQJNRQSA-N 302.761 3.426 50 40 DGGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ncccc12 61720796 UHYTYMNSDZETFH-SDNWHVSQSA-N 315.332 3.486 50 40 DGGB COc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 409365617 RAKZLRQZKZGBQP-MLPAPPSSSA-N 324.292 3.396 50 40 DGGB N#CS[C@H]1CSC(SC2=N[C@@H](SC#N)CS2)=N1 104263341 NDJNXEMKVJAYSN-WDSKDSINSA-N 318.499 3.006 50 40 DGGB CC(C)/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccccc1 408589074 KOEKNOZZHFHQKO-XUTLUUPISA-N 324.380 3.134 50 40 DGGB Cc1cc(F)ccc1C(=O)[C@@H](Br)CBr 306949097 VBSTUAABRUWWCU-VIFPVBQESA-N 323.987 3.475 50 40 DGGB COc1ccc2nc(/C(C#N)=C\c3ccc4c(c3)OCO4)[nH]c2c1 409391984 MHJKWSSYOKDQAR-SDQBBNPISA-N 319.320 3.364 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1 193377569 ZJFPUJHAOLJGKJ-GDNBJRDFSA-N 310.328 3.058 50 40 DGGB O=C1[C@H](Br)CCN1c1ccc(C(F)(F)F)cc1 68590899 WWDGKNDAVWMBID-SECBINFHSA-N 308.097 3.206 50 40 DGGB in-vitro O=S(=O)(N[C@H]1CCCC[C@@H]1Cl)c1ccc(Cl)cc1 59453738 OOUJPCMFFDCVBG-RYUDHWBXSA-N 308.230 3.168 50 40 DGGB C[C@@H](NC(=O)C(=O)NN=C1CCCCCCC1)c1ccccc1 4832406 LCLQZVLULDAMHL-CQSZACIVSA-N 315.417 3.080 50 40 DGGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccccc1O 100183533 RJQBDVRHIKNBPC-QGOAFFKASA-N 314.410 3.415 50 40 DGGB Cn1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1 521858 UDHBPXSTYFIPOR-MRXNPFEDSA-N 301.349 3.396 50 40 DGGB COc1cccc(/C=N/NC(=O)c2c(O)ccc3ccccc23)c1 566083 KKTWGQDUABLWLB-UDWIEESQSA-N 320.348 3.318 50 40 DGGB CCOC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1 17699911 SMABCCRVXWNGPQ-YRNVUSSQSA-N 302.330 3.419 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1 409206891 MWZXZGRFGZBDSC-SRZZPIQSSA-N 321.424 3.276 50 40 DGGB ICC1CCN(Cc2ccccc2)CC1 79436749 UQBYZGPKNVHPSJ-UHFFFAOYSA-N 315.198 3.334 50 40 DGGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)s1 12375177 FZVKICGMUHMLJK-ZDUSSCGKSA-N 304.758 3.325 50 40 DGGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cccnc1 20754604 FEFQNHLZEFFSRH-RGVLZGJSSA-N 309.300 3.245 50 40 DGGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC)c1C 408964240 CJTJSPMDDLRAKB-BOPFTXTBSA-N 307.397 3.310 50 40 DGGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 253445250 GIXRITDUTBLAOB-XNTDXEJSSA-N 310.353 3.290 50 40 DGGB C/C(=N\NC(=O)c1ccccc1)c1sc(=S)n(C)c1C 16887168 SNLKXNBOCQCFKC-OQLLNIDSSA-N 305.428 3.279 50 40 DGGB N#CC1=C(N)Oc2c(ccc3c(O)cccc23)[C@H]1c1cccnc1 494391 IVYPICHOTBYPAD-QGZVFWFLSA-N 315.332 3.159 50 40 DGGB N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)OCc1ccccc1 8783421 WRUIBCONYZIVDT-XYOKQWHBSA-N 314.322 3.307 50 40 DGGB COc1ccccc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12 59503468 UGLDJJHYGKJBCM-YBFXNURJSA-N 307.353 3.249 50 40 DGGB COC(=O)[C@@H](Br)Cc1cc(Cl)ccc1Cl 107360 YUZHVGDICOAIDZ-QMMMGPOBSA-N 311.990 3.472 50 40 DGGB CCCCCCCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 3151061 PCENTYCIXLQNFE-QGOAFFKASA-N 304.390 3.284 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)o1 509124 UYAVYHAYWQKBQW-YBFXNURJSA-N 314.385 3.415 50 40 DGGB CCOc1ccc(CC(=O)N/N=C/c2ccccc2Cl)cc1 10475812 SUNWKZUTZKLUFY-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB Cc1cc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)no1 53919802 MZKOUQNJDIUHCQ-UHFFFAOYSA-N 316.239 3.030 50 40 DGGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(C)[C@@H]2Br 2311384 GAYCFDDDUIMMOM-JUWDTYFHSA-N 310.029 3.293 50 40 DGGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(C)cc(C)c2)c1 482647 BMKWAIGEGUBZLV-YBFXNURJSA-N 312.369 3.085 50 40 DGGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 567077 QONNDZPXJAGTIJ-GXDHUFHOSA-N 324.311 3.158 50 40 DGGB C[C@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CBr 100005471 DCDNKSJBRIJYEC-ZRUAGYDASA-N 310.029 3.150 50 40 DGGB C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1 20195035 SMBCWENBOPSFST-KGENOOAVSA-N 320.392 3.008 50 40 DGGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C)[C@@H]2Br 100011773 GAYCFDDDUIMMOM-JMOVZRAMSA-N 310.029 3.293 50 40 DGGB O=C(CCl)NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100458118 SACUFMCUKWGZBK-ITSCGTHASA-N 320.658 3.075 50 40 DGGB Cc1cccc(C)c1OCC(=O)N/N=C1\C=C(O)CC(C)(C)C1 102033163 SIDHFQDUEBCTGH-XMHGGMMESA-N 316.401 3.416 50 40 DGGB N#CSc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 13253328 ASEQDXBLPSYFCX-UHFFFAOYSA-N 304.371 3.233 50 40 DGGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccccc1O 409063731 BROUGSWBTVGJGS-PFMZDYLOSA-N 300.745 3.209 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1F 243881 JKJQZOLQVJVJES-DJKKODMXSA-N 320.751 3.317 50 40 DGGB O=S(=O)(c1ccccc1)c1ccc(CBr)cc1 1653745 HBKDLRFVBAEDCF-UHFFFAOYSA-N 311.200 3.414 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)o1 504708 JQQJVCZOVVAMSC-QGMBQPNBSA-N 320.776 3.387 50 40 DGGB CC(C)CC(=O)NNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 29763410 QJMAWPRWNVGXHH-UHFFFAOYSA-N 315.417 3.273 50 40 DGGB C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(C)c([N+](=O)[O-])c1 5119627 BPCBGSNQMAPPPR-GZTJUZNOSA-N 315.329 3.267 50 40 DGGB C[C@H](Br)C(=O)Nc1nnc(C2CCCCC2)s1 13945064 GTQIXYPDCZSFNC-ZETCQYMHSA-N 318.240 3.308 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4646837 QHCWNDHTNWAHPQ-UJNGPMNRSA-N 300.402 3.166 50 40 DGGB N#CCn1cc(/C=N/NC(=O)c2ccccc2F)c2ccccc21 409375451 KWSLTWCRSDVOQD-SRZZPIQSSA-N 320.327 3.068 50 40 DGGB Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc(Cl)cc1 216947248 QKMFNZCCZBQTDK-UHFFFAOYSA-N 313.788 3.255 50 40 DGGB CCCCCCCCC(=O)N/N=C(\C)c1c(O)cc(C)oc1=O 97965717 PBELRWQCJLDBLB-QGOAFFKASA-N 322.405 3.245 50 40 DGGB O=C(NNC(=O)[C@H]1CC12CCC2)c1ccc(-c2ccccc2)cc1 349659 SHRLZFLCUKUVAF-QGZVFWFLSA-N 320.392 3.305 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1 1569535 FMSOLSNSLBVFBF-UHFFFAOYSA-N 304.349 3.223 50 40 DGGB C=CCc1cc(/C=N/NC(=O)c2ccccc2)cc(OCC)c1O 59679687 SHPLCZIBHYNRAI-DEDYPNTBSA-N 324.380 3.283 50 40 DGGB CC(C)(C)C(=O)NNC(=O)c1sc2ccccc2c1Cl 6857297 MEZNZKMCDBENTD-UHFFFAOYSA-N 310.806 3.362 50 40 DGGB C[C@@H](Cl)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 95864431 KLGANGXKPWDSKS-MRVPVSSYSA-N 308.790 3.080 50 40 DGGB N#C/C(=C/c1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 95357295 CHSVLWAMKFJSFC-WDZFZDKYSA-N 315.358 3.038 50 40 DGGB O=C(N/N=C/c1cccc2ccccc12)[C@@H](O)c1ccccc1 352957 LMJKQWWSFQVZTM-ACRNLXFHSA-N 304.349 3.024 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7384151 LWPMUEILEKNBES-XSFVSMFZSA-N 307.397 3.359 50 40 DGGB CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(F)cc1 5221754 DWVOSBOBNQHWBD-BSNOEWQHSA-N 312.344 3.410 50 40 DGGB COc1ccc([N+](=O)[O-])cc1NC(=O)N/N=C(\C)C(C)(C)C 17024665 VCPIKJNAHGFGSB-CXUHLZMHSA-N 308.338 3.147 50 40 DGGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1cccs1 6243770 FCYXKYHUYXTHED-XYOKQWHBSA-N 307.378 3.453 50 40 DGGB CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cccn2C)cc1 2770270 SLMAPHWGTFYIDK-RFRKOGIWSA-N 307.397 3.372 50 40 DGGB O=C(CNc1ccccc1F)N/N=C/c1ccc(Cl)cc1 3225744 UDEORBNZFFAXIP-DJKKODMXSA-N 305.740 3.041 50 40 DGGB O=C(N/N=C\C=C\c1ccccc1)[C@H]1OCCc2ccccc21 26503691 ULEKZMGTJRYCEF-OAYIOOGBSA-N 306.365 3.116 50 40 DGGB CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 408752097 FUPREDLESONGPH-YBEGLDIGSA-N 320.348 3.466 50 40 DGGB Cc1nccn1CCNC(=O)CCCC[C@H]1CCSS1 52191717 OXOSXQDSMOYYOG-ZDUSSCGKSA-N 313.492 3.022 50 40 DGGB biogenic N#Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)c(F)c1 408967569 RADNNXTZBZBQCK-DJKKODMXSA-N 301.708 3.115 50 40 DGGB C[C@H](N1C[C@H](C(=O)Cl)CC1=O)C12CC3CC(CC(C3)C1)C2 45957985 VWPBHYNPLHQECW-FYBHJDENSA-N 309.837 3.205 50 40 DGGB C/C(=N\NC(=O)c1ccncc1)c1ccc2ccccc2c1O 100133939 WTXWEZCDRDKRNU-UDWIEESQSA-N 305.337 3.094 50 40 DGGB in-vitro CC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100991608 ACPZJLJGOFUVOA-UHFFFAOYSA-N 320.372 3.302 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1O 5463885 NYPPCHMWUJVNKD-PNCSPWPDSA-N 316.401 3.067 50 40 DGGB COc1ccc(CC(=O)N/N=C\c2c(C)cc(C)cc2C)cc1 33330438 UREVLERXSIVVFK-NDENLUEZSA-N 310.397 3.313 50 40 DGGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc1 216064719 HKIHRPHWNWMDEH-CPNJWEJPSA-N 312.369 3.335 50 40 DGGB O=C(CCCC[C@@H]1CCSS1)NCC1CCOCC1 79191458 RBIMQQDIXISQFX-CYBMUJFWSA-N 303.493 3.243 50 40 DGGB biogenic O=C(NCc1ccccc1F)NNc1nc2ccccc2s1 69483692 AEUJGLILPZWMGO-UHFFFAOYSA-N 316.361 3.262 50 40 DGGB Cc1c(C#N)c(NC(=O)CCl)n(-c2cccc(F)c2)c1C 3888751 RQPOXEOTXNDOGA-UHFFFAOYSA-N 305.740 3.282 50 40 DGGB Cc1csc(/C(C#N)=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 8207368 UBPROOPKSVTSRD-WUXMJOGZSA-N 314.370 3.490 50 40 DGGB CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3 1641895 NLYNIRQVMRLPIQ-GTNNPJQESA-N 312.406 3.231 50 40 DGGB biogenic N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 408543192 NGFHKWUZAHPNNT-QPEQYQDCSA-N 310.265 3.063 50 40 DGGB CC(C)(C)C(=O)Nc1ccc(OCCBr)cc1 225591979 AJEXIXKFVFWPCA-UHFFFAOYSA-N 300.196 3.445 50 40 DGGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(Cl)cc1 4136074 BFVPHLKAQKXWQA-YVLHZVERSA-N 304.781 3.341 50 40 DGGB CC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 19806076 NVLIXSNXFOIRPR-MRXNPFEDSA-N 309.325 3.086 50 40 DGGB CN(C)C[C@H](Cl)c1ccccc1I 339085 NSUATCQKUCVTDR-VIFPVBQESA-N 309.578 3.133 50 40 DGGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 102447665 BKMJSWXKRMWCOO-LGGWSSHESA-N 313.357 3.303 50 40 DGGB COC(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 409075035 WYWUKAYJLCVRSR-VCHYOVAHSA-N 302.305 3.095 50 40 DGGB O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccco1 242618 QQNNSUXURGNCIU-VOANPMSRSA-N 319.158 3.431 50 40 DGGB C#CCOC(=O)c1cccc(-c2ccc(C=C(C#N)C#N)o2)c1 5042773 GBEAHLFGODNBBP-UHFFFAOYSA-N 302.289 3.167 50 40 DGGB O=C(Cl)C[C@H](C(=O)Cl)c1ccc(Br)cc1 100687948 NGKYLSCZNMTJBS-QMMMGPOBSA-N 309.974 3.454 50 40 DGGB C#CCOc1ccccc1/C=C(\C#N)C(=O)c1cccc(OC)c1 13135425 IHAXOAAYQPBVPF-SFQUDFHCSA-N 317.344 3.497 50 40 DGGB CCOc1ccc(C2=NC[C@H](CBr)S2)cc1 4204603 LKQBOPKVKAANHO-NSHDSACASA-N 300.221 3.342 50 40 DGGB N#Cc1c2c(c3c(c1NC(=O)CCl)CCCC3)CCCC2 4783811 XIQJLROENPJSTG-UHFFFAOYSA-N 302.805 3.493 50 40 DGGB Cc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1 5543194 CXPDOFGCNZWFIT-VXLYETTFSA-N 301.777 3.211 50 40 DGGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1c(F)cccc1Cl 288858 JSIUIWVFLJCPFR-CQSZACIVSA-N 315.735 3.279 50 40 DGGB CN/C(SC)=C(\C#N)c1nc(-c2ccc(Cl)cc2)no1 101953977 FSPGWJCYZGKTHT-RAXLEYEMSA-N 306.778 3.165 50 40 DGGB O=[P@@](O)(c1ccccc1)[C@H]1CCCC[C@@H]1Br 1870313 YKPJDKBLZRRVMS-RYUDHWBXSA-N 303.136 3.288 50 40 DGGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(Cl)s2)c1 563998 FDGAPCDJQWKBQT-CXUHLZMHSA-N 307.806 3.231 50 40 DGGB N#CC1=C(N)OC2=C(COc3ccccc32)[C@H]1c1cccc(F)c1 4178570 CUZHCRAHHHCPEP-KRWDZBQOSA-N 320.323 3.437 50 40 DGGB CCCCC(=O)N/N=C(/C)c1ccc(NC(=O)C2CC2)cc1 5792160 ZTPMLEWIYHBFAO-UNOMPAQXSA-N 301.390 3.066 50 40 DGGB COC(=O)COc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1 408567477 NSAKJWUNDUALLE-MFOYZWKCSA-N 318.332 3.174 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1 408970897 AEYPYCILCPHVRH-YBFXNURJSA-N 324.336 3.214 50 40 DGGB Cc1ccc(-c2csc(NC(=O)CCl)n2)cc1[N+](=O)[O-] 48513522 ZINPXAVPXLJCRW-UHFFFAOYSA-N 311.750 3.204 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2cccc(Cl)c2)o1 126279 WPXXZEZPPZWISF-DTQASYIRSA-N 305.765 3.192 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(OC)c1 6181671 UOULIPGYRQGILV-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB ClC(Cl)c1nn2c(CN3CCCCCC3)nnc2s1 102424826 WOAYFBLHQQACLI-UHFFFAOYSA-N 320.249 3.038 50 40 DGGB CCOc1cc(C=C(C#N)C#N)cc(Br)c1OC 2772263 IGNIKNUVIXGHKD-UHFFFAOYSA-N 307.147 3.287 50 40 DGGB CCOc1ccc(NC(=O)[C@H](Br)C(C)C)cc1 4031978 YSNUIYSGRLFLTI-GFCCVEGCSA-N 300.196 3.443 50 40 DGGB COc1ccc(N[C@H](C)C(=O)N/N=C(/C)c2ccccc2)cc1 4619248 HEAZJCMOIWSLNC-KELUXRKGSA-N 311.385 3.036 50 40 DGGB COc1cccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O 4815543 STCPRFMRJNMAKJ-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB C/C(=N\NC(=O)COc1c(C)cccc1C)c1ccc(F)cc1 238230 XDAJHOUJXBLJLQ-XSFVSMFZSA-N 314.360 3.362 50 40 DGGB COc1cccc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1 4875216 QZALXOUCGHCMKS-KEBDBYFISA-N 322.286 3.478 50 40 DGGB CCOc1ccc(/C(C)=N/NC(=O)CNc2ccccc2)cc1 7009309 UAEMFBUODVITBB-XSFVSMFZSA-N 311.385 3.038 50 40 DGGB CCOc1ccccc1N/C=C1/C(=O)OC(=O)c2ccccc21 103032223 ULPYEISBJDPYHZ-SDNWHVSQSA-N 309.321 3.235 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1O 409252342 XIKLBUQQBUMLQI-XDUBLRSXSA-N 322.364 3.185 50 40 DGGB Cc1cc(C(=O)NNC(=O)c2oc3ccccc3c2C)c(C)o1 3411248 MDQJCQDHVQVJQY-UHFFFAOYSA-N 312.325 3.026 50 40 DGGB CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409235649 CQFSEGVNUPISCZ-NDENLUEZSA-N 314.360 3.306 50 40 DGGB CN(NC(=O)Cc1ccccc1Br)c1ccccc1 3156330 HAMUJLHTCIJKPU-UHFFFAOYSA-N 319.202 3.159 50 40 DGGB biogenic C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1 32511859 FWLJMBJQSUPFPQ-OTWJJXBCSA-N 302.761 3.258 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC)cc1 48007 GCDIDHJUYUAPRR-SDNWHVSQSA-N 308.337 3.249 50 40 DGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1 5652252 VYPMNOXFJCTADC-AAPRONAGSA-N 300.402 3.362 50 40 DGGB C/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)o1 408957173 SQNCONPGCKCBBF-JXAWBTAJSA-N 300.358 3.124 50 40 DGGB NNC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 226319377 QLEPZPMVGMDSEJ-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB C/C=C1/C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 245380436 ZEMNDQUOMWGCAZ-AGYDQPGNSA-O 307.417 3.002 50 40 DGGB C[C@@]12CC3CC(N4C[C@@H](C(=O)Cl)CC4=O)(C1)C[C@@](C)(C3)C2 103545033 UNORUJNFWLFQQA-SZCIQIAYSA-N 309.837 3.349 50 40 DGGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(C)[C@H]2Br 100097820 GAYCFDDDUIMMOM-DRTBCBBWSA-N 310.029 3.293 50 40 DGGB C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 3887337 RDXXPDAIYCTAAT-VIFPVBQESA-N 313.740 3.028 50 40 DGGB CCOc1ccccc1/C=N/NC(=O)c1c[nH]c2ccccc12 5475963 NKFPDATYNBPIFC-RGVLZGJSSA-N 307.353 3.331 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2OC)cc1 5526855 WXQQXRHEDXPUSG-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB O=C(Cc1cccs1)N/N=C\C=C\c1ccc([N+](=O)[O-])cc1 4724432 CAHKVJCHNFFCJG-JWWOBIEHSA-N 315.354 3.014 50 40 DGGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(C)cc1C 408589027 KKDDFLSJJJSKOD-XSFVSMFZSA-N 324.380 3.115 50 40 DGGB O=[N+]([O-])c1ccc(OC(F)(F)F)c(CBr)c1 396113905 ONQVRRZZNOZXOW-UHFFFAOYSA-N 300.030 3.388 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1O 6217024 UYJBUPQAUWBGEE-ZROIWOOFSA-N 308.337 3.255 50 40 DGGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccccc1O 159117 BYAATZBERJUDQC-IBGZPJMESA-N 324.316 3.397 50 40 DGGB O=C(CCCl)OC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1 3141788 YKPJJXAZTXLWLB-SJPCQFCGSA-N 321.848 3.397 50 40 DGGB N#C/C(=C\c1cccn1-c1ccccc1)C(=O)NCc1ccco1 2800845 CMNDFTBCSVRMOP-NTCAYCPXSA-N 317.348 3.294 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(O)c1 408890440 TYEISEUMAAVBKY-NTEUORMPSA-N 308.337 3.255 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(F)cc2)c1C 12844025 WHWICFURIDTKEV-KEBDBYFISA-N 314.360 3.280 50 40 DGGB COc1cc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1 57413921 LSRPLVRWOUGMGA-OUKQBFOZSA-N 323.352 3.162 50 40 DGGB N#CCn1c(CCl)nc2scc(-c3ccccc3)c2c1=O 3336052 VPEDMXKXYJDQPD-UHFFFAOYSA-N 315.785 3.387 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)cc1 5917295 DXRQFXVZQQZRAZ-RAXLEYEMSA-N 323.308 3.149 50 40 DGGB Cc1cccc(-n2nc3c(c2NC(=O)CCCl)CSC3)c1 3892346 JLUGXAWWBNFIIP-UHFFFAOYSA-N 321.833 3.495 50 40 DGGB C[C@@H](Cl)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4079079 RAYRWFPLEJYYDP-ZCFIWIBFSA-N 302.186 3.424 50 40 DGGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cc(C)ccc1C 59922341 OPWFISLARAEKMW-QGOAFFKASA-N 311.341 3.366 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2O)cc1 409393486 XSFDLDXFEQDOOL-XDHOZWIPSA-N 312.369 3.117 50 40 DGGB CC(C)(C)OC(=O)N[C@H](CSSC(C)(C)C)C(=O)O 5353655 PPQRALRLGBAWHD-MRVPVSSYSA-N 309.453 3.144 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)s1 5618542 FPMHDSGUHUQQTM-XNTDXEJSSA-N 303.343 3.119 50 40 DGGB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)CCl 44831482 JOSQTBBJCDPXNS-UHFFFAOYSA-N 302.761 3.425 50 40 DGGB COc1ccccc1C(=O)N/N=C\c1c(O)ccc2ccccc12 96545057 SGIUPSNOFYYWMP-NDENLUEZSA-N 320.348 3.318 50 40 DGGB Cc1c(C(=O)N/N=C/c2ccccc2Cl)nc2ccccn12 3222269 QBRPHMQGXILZSJ-VCHYOVAHSA-N 312.760 3.060 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)N/N=C/c2ccc(C)cc2)cc1 26962676 GMEWCQHAOOZODK-URUBZPSVSA-N 303.365 3.361 50 40 DGGB C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccccc1 14093864 PYZRFAULMKBKJJ-GFCCVEGCSA-N 316.788 3.295 50 40 DGGB CC(/C=C/c1ccco1)=N\NC(=O)COc1ccc(C)c(C)c1 4587385 GWBMSZQBAITKJR-MNUZTDEHSA-N 312.369 3.481 50 40 DGGB COc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 72856972 GVDCFBDVZJEUTF-UVTDQMKNSA-N 321.332 3.256 50 40 DGGB CN(C)c1ccc2c(c1)NC(N)=C(C#N)[C@H]2c1cccc(F)c1 72408183 KOKRCJRZZPRTME-KRWDZBQOSA-N 308.360 3.143 50 40 DGGB N#CSCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 216857796 RUXUZSGONWUSMI-UHFFFAOYSA-N 310.338 3.043 50 40 DGGB Cc1cc(O[C@H](C)C(=O)N/N=C/c2ccco2)cc(C)c1Cl 117420 WPSSSYFTJXDSSE-KBSHCFNASA-N 320.776 3.467 50 40 DGGB Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cccnc1 9295598 UDVJMVAUDYSGNM-STZFKDTASA-N 322.412 3.144 50 40 DGGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccs2)C(C#N)=C(O)N1 23379243 NTEXFAZGKRERCU-ZDUSSCGKSA-N 318.398 3.344 50 40 DGGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccc[nH]1 45605996 BNLPHOOUNPGQTR-DEDYPNTBSA-N 307.353 3.087 50 40 DGGB N#C/C(=C\c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1 4134673 NLTIXGLRVWLYBW-ACCUITESSA-N 320.352 3.057 50 40 DGGB COC(=O)c1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)oc1C 8778626 XLNXSYQRIPPCRD-YRNVUSSQSA-N 307.309 3.315 50 40 DGGB Cc1ccc(C(=O)[C@@H](Br)CBr)s1 307513628 QPSFCOCWQXPJEQ-LURJTMIESA-N 312.026 3.398 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 486724 FEYDEUWSLQPUNX-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 493729 JRIHRMPRETVSEF-GXDHUFHOSA-N 308.337 3.249 50 40 DGGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1C1CC1 8334212 ROUAUUYGYVKYQO-AGKWGAAGSA-N 320.396 3.197 50 40 DGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F 8105283 HXCJJUKNGNJRFN-CAOOACKPSA-N 321.695 3.151 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2sccc2C)cc1C 239336 OMIKDIKQJSXUGP-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB CCCCCC(=O)N/N=C/c1cc(Br)ccc1O 2676185 FNQDBGYSKXEWJB-OQLLNIDSSA-N 313.195 3.185 50 40 DGGB C/C(=N\NC(=O)c1cccnc1)c1ccc2ccccc2c1O 102984535 JLIAHVUQJITHOF-UDWIEESQSA-N 305.337 3.094 50 40 DGGB O=C(CCCC[C@@H]1CCSS1)NCCc1ccccn1 72777448 QKRXDPXMZFFYHZ-CQSZACIVSA-N 310.488 3.454 50 40 DGGB biogenic COc1ccc2nc(/C(C#N)=C\c3ccc(OC)c(O)c3)[nH]c2c1 409392546 QKNRKHOTUNHAQL-GHXNOFRVSA-N 321.336 3.350 50 40 DGGB COc1ccc(CC(=O)N/N=C(/C)[C@H]2C[C@H]3CC[C@@H]2C3)cc1 36499643 QHCWNDHTNWAHPQ-WYNYGLIJSA-N 300.402 3.166 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2F)o1 252489254 JMWMVNPSHVFBMK-TWGQIWQCSA-N 316.244 3.074 50 40 DGGB COC(=O)c1sccc1-c1ccc(COC(=O)CCl)o1 1393442 LLDZSFNWVCFMRD-UHFFFAOYSA-N 314.746 3.077 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)OC(C)(C)C)c(O)c1 3526485 YSXUSFBMCVQXQY-GZTJUZNOSA-N 307.394 3.097 50 40 DGGB CCc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)s1 4155937 NSIZMHYDQLRKDI-RQZCQDPDSA-N 322.817 3.493 50 40 DGGB O=C(N/N=C\C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 13838071 MNCMPUBUTWAMSL-QXEVTIDZSA-N 313.288 3.163 50 40 DGGB Cc1[nH]c2ccc(C(=O)NNc3ccccc3[N+](=O)[O-])cc2c1C 15502625 ZUISTLGMNKLTSL-UHFFFAOYSA-N 324.340 3.450 50 40 DGGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(Cl)cc1Cl 96518966 DXFNHHWFBXGVQP-UWVGGRQHSA-N 317.621 3.026 50 40 DGGB [N-]=[N+]=Nc1ccc(NC(=O)CI)cc1 521218420 YDRFOMLULPHOBA-UHFFFAOYSA-N 302.075 3.002 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2ccccc2)ccc1Cl 566254 KOPRTDGOMTVISE-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB O=C(Cl)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 4783238 JOVXWCNPCIBTJQ-UHFFFAOYSA-N 305.116 3.494 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC 16790629 PXYPVXIKVDQZQH-GXDHUFHOSA-N 314.385 3.060 50 40 DGGB CCOc1cccc(/C=N/NC(=O)CC2(C)SCCS2)c1 408585984 ACKXHUQVEQTUAO-LFIBNONCSA-N 324.471 3.122 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1 4722935 INYFRCXXNJBKLZ-RAXLEYEMSA-N 323.308 3.149 50 40 DGGB COc1ccc(OC)c([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c1 19760518 VMXRANPWEMFYPI-GOSISDBHSA-N 324.380 3.195 50 40 DGGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)o1 89585 IREFOARRFXSVHA-JLHYYAGUSA-N 324.336 3.310 50 40 DGGB O=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccc(Br)cc1 38391305 JNQAKOOKMZFIKF-KTIPYJLNSA-N 305.175 3.131 50 40 DGGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1nc2ccccc2o1 409047647 PDZCDZJZWUAQGY-UKTHLTGXSA-N 320.304 3.355 50 40 DGGB CCN(Cc1ccccc1)C[C@H]1CCCCN1C(=O)CCl 79414920 CEQFEOLVDJLSRK-MRXNPFEDSA-N 308.853 3.128 50 40 DGGB O=C(CCl)c1ccc(Br)nc1Br 199753598 NJRHNYGFVWWJII-UHFFFAOYSA-N 313.376 3.028 50 40 DGGB O=C(NNc1nc2c(F)cccc2s1)c1ccccc1F 4121344 LZBYFBSXWDDIEU-UHFFFAOYSA-N 305.309 3.331 50 40 DGGB N#CC(C#N)=Cc1coc(Br)c1Br 567137 AQSNWQVJOIURDP-UHFFFAOYSA-N 301.925 3.235 50 40 DGGB COc1ccc([N+](=O)[O-])cc1NC(=O)N/N=C(/C)C(C)(C)C 4771150 VCPIKJNAHGFGSB-SXGWCWSVSA-N 308.338 3.147 50 40 DGGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)o1 6891392 QETIDYODVJDHEQ-OWBHPGMISA-N 315.417 3.482 50 40 DGGB O=C(CN1C(=O)c2cccc3cccc1c23)NN=C1CCCCC1 108904664 ISVRDKVVCRZEEG-UHFFFAOYSA-N 321.380 3.236 50 40 DGGB Cn1c(/C(C#N)=C\c2ccc(C#N)cc2)nnc1-c1ccccc1 58304561 BIWZELFMLAJURJ-BOPFTXTBSA-N 311.348 3.418 50 40 DGGB COc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1cc(C)cc(C)c1 408870404 VHBLRQOHJQBFPJ-GIJQJNRQSA-N 320.392 3.295 50 40 DGGB CCN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CCl 79393716 OVXGJCPJTJLKOK-MRXNPFEDSA-N 308.853 3.128 50 40 DGGB O=C(COc1ccc(F)cc1)N/N=C/c1cccc(Cl)c1 58809 QCRBHIPVNXBWOI-GIJQJNRQSA-N 306.724 3.008 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)c2ccccc2OC)c1 59417866 SXXICRVEHWVNII-CPNJWEJPSA-N 310.353 3.024 50 40 DGGB NNC(=O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 22872993 XHBYGKBMNLTOBE-UHFFFAOYSA-N 315.682 3.024 50 40 DGGB CC(C)N(Cc1ccccc1)CC1CCN(C(=O)CCl)CC1 79415038 LNLMCIWNBKWALZ-UHFFFAOYSA-N 322.880 3.374 50 40 DGGB N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCc1ccccc1 44900913 PDYQDWHCYBLTDR-LFIBNONCSA-N 301.349 3.391 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 13510744 JRIHRMPRETVSEF-UVTDQMKNSA-N 308.337 3.249 50 40 DGGB C[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccc(Cl)cc1 16322361 FWLJMBJQSUPFPQ-GFCCVEGCSA-N 302.761 3.258 50 40 DGGB O=C(CCCC[C@H]1CCSS1)N1C[C@H]2C[C@H]1CS2 575615002 ANWDBIQGTIFBFX-SDDRHHMPSA-N 303.518 3.417 50 40 DGGB COc1ccc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1 545975 JJSUQWYWPGRAIO-HNNXBMFYSA-N 309.369 3.327 50 40 DGGB Cc1ccc(NNC(=O)C(=O)n2ccc3ccccc32)cc1C 2301846 RBELSPMCSSPTHH-UHFFFAOYSA-N 307.353 3.042 50 40 DGGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 5095381 SAVYFZRLWUDEDV-LBPRGKRZSA-N 312.348 3.064 50 40 DGGB C/C(=N\NC(=O)c1cccnc1)c1ccc(Br)s1 5163181 IBSOYVWYTYPRBI-OVCLIPMQSA-N 324.203 3.060 50 40 DGGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(N)=O)cc21 223475184 AWXCJVHAACIWBO-VXLYETTFSA-N 300.406 3.099 50 40 DGGB COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1 14003015 APYUDALJBFIFLX-WOJGMQOQSA-N 302.761 3.041 50 40 DGGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 142661 FSCFWMCIGSZBDD-UHFFFAOYSA-N 302.399 3.120 50 40 DGGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 372545 UUPTYQSQYRSBQR-FOWTUZBSSA-N 315.376 3.434 50 40 DGGB C/C(=N/NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(C)cc1 27489841 XHDPYEYGFLQVMU-UYRXBGFRSA-N 322.368 3.441 50 40 DGGB COc1ccc2c(c1)/C(=N\NC(=O)c1cccc(F)c1)CCC2 32116495 BOIZUGBDKKGNLS-JZJYNLBNSA-N 312.344 3.305 50 40 DGGB CCc1c(/C(C)=N/NC(=O)c2cccn2C)oc2ccccc12 61466493 CPHXVYSIXUHEPC-XDHOZWIPSA-N 309.369 3.488 50 40 DGGB CC(=O)Nc1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1 3118158 CGWRNXFOOXAPHV-JLHYYAGUSA-N 321.336 3.438 50 40 DGGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(Cl)s1 12375176 FZVKICGMUHMLJK-CYBMUJFWSA-N 304.758 3.325 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 5384680 GMVLKEGVUNPCRC-JLWFYQMASA-N 324.380 3.100 50 40 DGGB Cc1nc(S)sc1CC(=O)NNc1cccc(Cl)c1 32901686 ZNJXWEKHGGTZRN-UHFFFAOYSA-N 313.835 3.079 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(C)c(C)c1C 58927912 AVDVDWFVKSVXHK-RGVLZGJSSA-N 310.397 3.449 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(OC)c1OC 3307861 LCGDPGINNKQULF-KPKJPENVSA-N 303.358 3.235 50 40 DGGB CC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O 17031729 ZGJOUBATFGLNQQ-BIKJCLGBSA-N 308.381 3.426 50 40 DGGB CCN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CCl 79393713 OVXGJCPJTJLKOK-INIZCTEOSA-N 308.853 3.128 50 40 DGGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccco3)o2)cc1 4545300 STAPCNIQKUZQBD-ODLFYWEKSA-N 305.293 3.175 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)c2ccc(C)cc2)cc1OC 408549304 SEMSUBQZPHWSJD-YBFXNURJSA-N 312.369 3.085 50 40 DGGB CCCCCC/C(C)=N/NC(=O)COc1ccc(C#N)cc1 5862812 OPTOJPAVBKTXIY-XMHGGMMESA-N 301.390 3.400 50 40 DGGB C/C(=N/NC(=O)OC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 35772560 HGCCUILMQBBXTD-NVNXTCNLSA-N 313.741 3.497 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccccc1 409092401 XITNZROEABYLMY-DEDYPNTBSA-N 311.360 3.190 50 40 DGGB COc1ccc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1 195770273 UQAUSIBONIQFFU-NDENLUEZSA-N 321.380 3.259 50 40 DGGB CCOc1ccc(C(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 5906857 RFGIMUGIIUYVPH-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB CCN(NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(C)cc1 40088874 WBFBFEQNUYUUAT-MRXNPFEDSA-N 312.413 3.458 50 40 DGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc2ccccc12 254268 ZFKDUSKLWBMYRP-RGVLZGJSSA-N 318.332 3.332 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 349034 PWSMNHVILXDTOJ-RGVLZGJSSA-N 321.380 3.314 50 40 DGGB C/C(=N\NC(=O)COc1ccc(C)cc1)c1ccc(F)cc1 5341631 MSSKSALEQQNWKD-CPNJWEJPSA-N 300.333 3.053 50 40 DGGB C[C@H]1CC=CC[C@H]1[C@@H]1OC[C@H](COC(CCl)CCl)O1 6183656 LFSDIKGFYKMUGR-SCUASFONSA-N 309.233 3.193 50 40 DGGB NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 100855457 XVLSVRBIRVXAAJ-VDQHWBOFSA-N 304.821 3.168 50 40 DGGB N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(N)=O 409214875 ZMNLIVOLJLVZMM-VQHVLOKHSA-N 306.243 3.358 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)cc1 409376224 WBXDYESGSVAJFJ-CIAFOILYSA-N 316.364 3.237 50 40 DGGB Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C(\C#N)C(=O)O 55036895 UOHIGZRZDCOKCO-YRNVUSSQSA-N 301.733 3.134 50 40 DGGB O=C(CCl)N[C@@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 100449383 BHFZJTAUMOWFHD-SJORKVTESA-N 320.864 3.317 50 40 DGGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 5768245 FKDYTXMSRPBSTA-UHFFFAOYSA-N 313.357 3.137 50 40 DGGB CCOC(=O)/C(C#N)=C\c1c(OC)ccc2ccc(OC)cc12 409008591 YJWOONDYXPPJBB-LCYFTJDESA-N 311.337 3.327 50 40 DGGB C/C(=N\NC(=O)CSc1ccccc1)c1ccccc1O 408788729 GFUYSSQGJXATRX-SFQUDFHCSA-N 300.383 3.025 50 40 DGGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1O 409193720 KZMBDPDHGKQVTP-WDZFZDKYSA-N 320.776 3.020 50 40 DGGB CC1(C)[C@@]2(C)CC[C@]1(Br)[C@H](Br)C2=O 4135356 YEXZCNXNSPYHTN-UASFKTIASA-N 310.029 3.293 50 40 DGGB O=C(NNc1nncc2ccccc12)Nc1cccc(Cl)c1 6238068 SFBNNFJFYWPDES-UHFFFAOYSA-N 313.748 3.432 50 40 DGGB CCCCCC[C@@H](C)NC(=O)NNC(=O)c1ccc(F)cc1 32801816 FFTPLBCIHBRNAE-GFCCVEGCSA-N 309.385 3.129 50 40 DGGB N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1cccnc1 494349 WMTIHZAYFCKGMK-INIZCTEOSA-N 315.332 3.159 50 40 DGGB Cc1ccc(S(=O)(=O)Oc2ccccc2C=C(C#N)C#N)cc1 58822486 RMHQIYSZQVQJRT-UHFFFAOYSA-N 324.361 3.193 50 40 DGGB C/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1 6185491 QKXJNJREYBLYMA-APQPDGGLSA-N 321.174 3.103 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 95935859 RMASAYAPJKIVAB-ZDLGFXPLSA-N 322.324 3.148 50 40 DGGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccncc1 222238 MVUJDTYXCXVPOV-CNRHGSOZSA-N 319.364 3.152 50 40 DGGB COc1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3897560 NKFDRKYJIURJCW-UDWIEESQSA-N 312.413 3.362 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)s1 491573 GULDTSLWXVQGMY-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2cccc(C)c2C)s1 565416 SIQGCUXWKYPHGH-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(C)o3)ccc21 3228580 DSAZBDIPKQNZOT-VCHYOVAHSA-N 310.357 3.030 50 40 DGGB C/C(=N\NC(=O)c1ccccn1)c1ccc(Br)s1 5282570 GNNCREJHHXUNQO-OVCLIPMQSA-N 324.203 3.060 50 40 DGGB C=CCNC(=O)/C(C#N)=C/c1c[nH]nc1-c1cc2ccccc2o1 96179968 KGXVZDCEABBRHS-MDWZMJQESA-N 318.336 3.032 50 40 DGGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1 408719950 QFKVCBNXXBUUHJ-PBSOMRJOSA-N 300.383 3.023 50 40 DGGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 33870411 UGUMGXBGINJGMA-SDQBBNPISA-N 311.253 3.273 50 40 DGGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1)OCO2 409193587 HHBQYZFXYGFGNO-QGMBQPNBSA-N 316.744 3.141 50 40 DGGB CS(=O)(=O)SCc1ccc(C2(C(F)(F)F)N=N2)cc1 1776010194 DFYNNTIKNKJCAO-UHFFFAOYSA-N 310.322 3.060 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1O 5463892 NYPPCHMWUJVNKD-NAUUFFFRSA-N 316.401 3.067 50 40 DGGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1 93821 FWLJMBJQSUPFPQ-HWQJWEFDSA-N 302.761 3.258 50 40 DGGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc[nH]1 32223216 NODOZCUTLFPDMX-BKUYFWCQSA-N 319.364 3.211 50 40 DGGB Cc1c(NC(=O)CSC#N)cccc1-c1nc2ncccc2o1 216857839 ALUQOXGIYJJEDF-UHFFFAOYSA-N 324.365 3.351 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)cc1 5393626 VGABDAPNPHYZOA-XSFVSMFZSA-N 309.413 3.469 50 40 DGGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)Nc1ccccc1 5774567 OKTVSPSACYGKTL-CAOOACKPSA-N 317.732 3.224 50 40 DGGB COc1ccc2nc(NNC(=O)c3cccc(F)c3)sc2c1 4121388 PHDJVMFXFYCCEP-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB CC[C@@H](C)[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1 524729006 FFSFYCIXUSGUIK-FRRDWIJNSA-N 305.509 3.224 50 40 DGGB biogenic C=CCn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 561515 FWBNXWGHJBUBMF-UDWIEESQSA-N 319.364 3.297 50 40 DGGB Cc1ccc(C)c(NC(=O)NNC(=O)CCc2ccccc2)c1 15934256 SJWWYMCNNFMDAI-UHFFFAOYSA-N 311.385 3.089 50 40 DGGB N#C/C(=C/c1cccs1)C(=O)N1CCN(c2ccccc2)CC1 192594604 SFXDYPBBAJAVJJ-SQFISAMPSA-N 323.421 3.004 50 40 DGGB C/C(=N/O)C(C)(C)NNC(=O)Nc1ccc(Cl)c(Cl)c1 5479922 JPAQMNMBRZFNNG-IDUWFGFVSA-N 319.192 3.248 50 40 DGGB N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)NCCc1ccccc1 44921528 SPZCHCCUNPFTIC-QGOAFFKASA-N 315.376 3.434 50 40 DGGB COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1OC 19774683 WFPDSFQYYGWIEU-SFHVURJKSA-N 324.380 3.195 50 40 DGGB COc1ccccc1NC(=O)c1ccc(NC=C(C#N)C#N)cc1 78608061 XCOJIQGBAGQSHD-UHFFFAOYSA-N 318.336 3.290 50 40 DGGB Cc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 307972 DODPAVZXQRAXJO-VCHYOVAHSA-N 302.761 3.047 50 40 DGGB O=C(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1 17527570 POFCPWOXEUXHBM-UHFFFAOYSA-N 322.300 3.024 50 40 DGGB CCc1ccc([C@@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1 55175174 XFNRZWRQVHQNFP-QGZVFWFLSA-N 315.380 3.307 50 40 DGGB O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cccs1 383352 MQTNFBSSJBEYNX-UHFFFAOYSA-N 311.819 3.033 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)c2cccs2)cc1OC 2759555 VLXSYCQMHISINL-GZTJUZNOSA-N 318.398 3.309 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1 59382713 VZCKFCCODJGHCG-OFBHVFLISA-N 324.380 3.089 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 524499 LCFFAMNOKBYNQC-GIJQJNRQSA-N 323.179 3.392 50 40 DGGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc(N)cc1 17054910 DMGGHNKOVNKCBA-CIAFOILYSA-N 319.364 3.282 50 40 DGGB CSC(SC)=C(C#N)S(=O)(=O)c1cc(C)ccc1F 98212099 NZAAJBCEPPNWKV-UHFFFAOYSA-N 317.432 3.327 50 40 DGGB CN(C)C[C@@H](Cl)c1ccccc1I 339087 NSUATCQKUCVTDR-SECBINFHSA-N 309.578 3.133 50 40 DGGB O=CC1=Cc2cc(Br)cc(Br)c2OC1 2599377 BBEJJUHVSRCENG-UHFFFAOYSA-N 317.964 3.186 50 40 DGGB CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846134 LINKCHPZYVUODU-GOSISDBHSA-N 321.380 3.276 50 40 DGGB C/C(=N\NC(=O)COc1ccc(Cl)c(C)c1)c1ccco1 504848 QLXIKOWZGQPQHT-GZTJUZNOSA-N 306.749 3.161 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccccc1Cl 59138198 YKRJBIAJYCDORJ-WOJGMQOQSA-N 317.776 3.297 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 13546331 DRJDEYRYHZFEPE-ZROIWOOFSA-N 307.309 3.449 50 40 DGGB N#CC(C#N)=Cc1ccc(Oc2nc(Cl)ncc2F)cc1 4525772 JOUCQNRKKBVTFV-UHFFFAOYSA-N 300.680 3.492 50 40 DGGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 33361039 ODTZSWJHCPHVOP-AQTBWJFISA-N 318.376 3.475 50 40 DGGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(N)=S)c2C)cc1 6626344 FLAMXBYCYGKQIS-ZROIWOOFSA-N 311.410 3.296 50 40 DGGB Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 13135332 PUTUZWJXQRYOPJ-XYOKQWHBSA-N 314.776 3.236 50 40 DGGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)cc1 4739590 IMIWCVCHIQVIGG-UDWIEESQSA-N 308.385 3.020 50 40 DGGB COc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1O 31776144 HTOQJJVFFVDJGD-MFOYZWKCSA-N 319.748 3.210 50 40 DGGB N#C/C(=C\c1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1 111954 XZBYLLYGVCHSLT-OQLLNIDSSA-N 319.769 3.384 50 40 DGGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccccc1O 141711 ZXDAWJKIKSPYGN-FMIVXFBMSA-N 303.321 3.419 50 40 DGGB Cc1ccc(C(=O)NNC2=CC(=O)C[C@H](c3ccccc3)C2)cc1 52346 MVBPYMJZWFZUSG-QGZVFWFLSA-N 320.392 3.260 50 40 DGGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1 4676502 FUVFPKWKLCXTBK-MOSHPQCFSA-N 309.344 3.321 50 40 DGGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(O)c3)cc2c1 409186745 HJAKLLHAZWKYRM-ODLFYWEKSA-N 324.336 3.301 50 40 DGGB CC1(CC(=O)N/N=C/c2ccccc2Cl)SCCS1 409258365 WPOSAVLKGUFALM-OQLLNIDSSA-N 314.863 3.376 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408964750 RXCPUVCTWMYXJT-KEBDBYFISA-N 322.286 3.478 50 40 DGGB CC(C)(C)OC(=O)N[C@@H](c1ccccc1)c1noc(CCl)n1 70453747 YDZOFYWBNLZVPA-LBPRGKRZSA-N 323.780 3.423 50 40 DGGB CCOc1ccc(N[C@@H](CC)C(=O)N/N=C/c2ccco2)cc1 2748899 YWXYHILXZIKGCB-IQFISFIMSA-N 315.373 3.019 50 40 DGGB CC(C)OC(=O)Nc1cccc(NC(=O)OCCCl)c1 1732335 JRPJKILBDMHSHX-UHFFFAOYSA-N 300.742 3.431 50 40 DGGB COc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 8515491 WUCJCOSKYYWMHO-WOJGMQOQSA-N 314.410 3.246 50 40 DGGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(F)cc1 8812289 MFMOLYFORKRABW-GIJQJNRQSA-N 306.724 3.252 50 40 DGGB O=C(NN=C1CCCCC1)C(=O)Nc1cccc2ccccc12 59515802 WDNVCDYSUVIEPO-UHFFFAOYSA-N 309.369 3.215 50 40 DGGB CC(=O)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 409008744 DQBSYUVOCKEKQE-RGVLZGJSSA-N 305.381 3.468 50 40 DGGB Cc1cc(CI)ncc1Br 536954330 PPKILFMFSUCOIB-UHFFFAOYSA-N 311.948 3.088 50 40 DGGB CCOC(=O)NC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1 2027521 MDFDJDSQTKNBQU-WEVVVXLNSA-N 313.140 3.173 50 40 DGGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 5409107 CGVPYAPSKAWYEI-ZDUSSCGKSA-N 308.385 3.234 50 40 DGGB CC(C)=C[C@H]1[C@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 5785855 MQNYUOGAJXCNIN-UYHBEJOSSA-N 315.373 3.283 50 40 DGGB C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1ccccc1 220551 WTUMBJXMASICAA-HADWXUJASA-N 319.364 3.152 50 40 DGGB CCCCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 6592699 LSHMQZRCDDBDGQ-UHFFFAOYSA-N 318.398 3.002 50 40 DGGB C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846187 LHEYJDCQPCQGCJ-GOSISDBHSA-N 319.364 3.052 50 40 DGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 65996948 YQGXFZYJUUZBNX-XDHOZWIPSA-N 312.756 3.116 50 40 DGGB COc1ccc(F)cc1[C@@H](C)NC(=O)/C(C#N)=C\c1ccco1 585139871 HVBMBXJLUCLJBG-HQQGHWSLSA-N 314.316 3.212 50 40 DGGB CC/C(Cc1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 13476573 GRHZEHUFIXCKPP-OBGWFSINSA-N 311.341 3.333 50 40 DGGB CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1 8733022 UOQROBOSBGUCQJ-NEPJUHHUSA-N 310.825 3.272 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1O 59159140 FIDPCFMIQKTIQO-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 33788770 RIFUDWHANWIXPB-LCYFTJDESA-N 303.321 3.398 50 40 DGGB CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408719658 JDAQCKXFQQYFGD-VCHYOVAHSA-N 302.761 3.389 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C[C@H]2C=CC[C@H]12 5925658 NYYJTAPCIPUCPP-BRXWRBBBSA-N 304.777 3.095 50 40 DGGB CNC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C)C(C)(C)C=C2C 208450902 BSCATTLJUYXBJA-NVNXTCNLSA-N 309.413 3.280 50 40 DGGB CCc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)cc1 59472500 VIHMIDCODQYUSL-UHFFFAOYSA-N 320.396 3.014 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105426245 WJZYVSLLOSZEAC-DCAZOQSGSA-N 315.373 3.066 50 40 DGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 59152627 VLKOZMDJASEABU-CAOOACKPSA-N 321.695 3.151 50 40 DGGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(OC(F)F)cc1 5163685 IPLZFXNSMBFHBO-VXLYETTFSA-N 320.295 3.148 50 40 DGGB CC(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 4510599 CPHGRACMHBZVHX-VCHYOVAHSA-N 302.761 3.389 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1 5714139 IVRUYXYTKFOGJN-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1cccnc1 159138 ZBYWXQPLJLKIOE-GOSISDBHSA-N 309.305 3.087 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(C)ccc1C 7893440 XPFOOEVNGPQYIN-QGOAFFKASA-N 311.341 3.366 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2cccc(Cl)c2)cc1 436947 FHWKZCQVYVAASZ-VXLYETTFSA-N 301.777 3.211 50 40 DGGB O=C(NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 521877 MZBGIPKMNSYCOA-UHFFFAOYSA-N 314.728 3.161 50 40 DGGB CCc1n[nH]c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 8382650 XUVSGHKKZULOIT-MRXNPFEDSA-N 316.364 3.343 50 40 DGGB Cc1ccsc1/C=N\NC(=O)COc1cccc(C)c1C 4702451 KHDCYPRWWUBWAM-MFOYZWKCSA-N 302.399 3.202 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1C 409242160 NBPDOEPLXNFSMM-JVVDOCDTSA-N 307.397 3.426 50 40 DGGB C/C=C1\C[N@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 254515136 ZEMNDQUOMWGCAZ-CWINCPNBSA-O 307.417 3.002 50 40 DGGB biogenic,in-vitro C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1 5275159 POTCWKXLEUUCSD-SJWFJVLYSA-N 302.761 3.258 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)c(Cl)c1 4871567 XWDPVNUEVYNCNT-CHHVJCJISA-N 323.761 3.382 50 40 DGGB C[C@@H](N1C[C@@H](C(=O)Cl)CC1=O)C12CC3CC(CC(C3)C1)C2 45957994 VWPBHYNPLHQECW-LJVYNOFUSA-N 309.837 3.205 50 40 DGGB COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1 871901 YZEAMRFPZJWNJI-UHFFFAOYSA-N 305.337 3.311 50 40 DGGB Cc1ccc(NC(=O)C(=O)NN=C2CCCCCC2)cc1C 59515834 YWTXPPXRPZDFEX-UHFFFAOYSA-N 301.390 3.068 50 40 DGGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1O 13842592 ICEAZPNJIMNTDA-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB O=C(CCCC[C@H]1CCSS1)NCC1CCOCC1 79191465 RBIMQQDIXISQFX-ZDUSSCGKSA-N 303.493 3.243 50 40 DGGB biogenic Cc1cc2c(cc1/C=C(\C#N)C(=O)NC1CCCCC1)OCO2 408986174 OIJDFQYKHMGXJS-RIYZIHGNSA-N 312.369 3.080 50 40 DGGB CCOc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1 5652259 VYPMNOXFJCTADC-PNOOQRCFSA-N 300.402 3.362 50 40 DGGB Nc1ccc(C(=O)N/N=C2\CCCc3c2[nH]c2ccccc32)cc1 479951 OKBXIZYDVWJWGW-OQKWZONESA-N 318.380 3.221 50 40 DGGB CCc1ccc(/C=N/NC(=O)c2ccccc2Br)o1 20760577 DEWHFKRRTPAOFM-CXUHLZMHSA-N 321.174 3.368 50 40 DGGB Cc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1 33303330 CNOMBKLMKWZKIW-MFOYZWKCSA-N 317.732 3.321 50 40 DGGB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@H](C(=O)NN)C(C)C 260624992 XQQNAORGKSIODG-BBRMVZONSA-N 303.450 3.102 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OC 5527515 OBMHBSINAGQDJE-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB COC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1 23042648 GIMDXBCIUARYBN-DHZHZOJOSA-N 314.322 3.403 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1 381234 HVMSAKJJHQKJBV-VXLYETTFSA-N 316.788 3.486 50 40 DGGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 4812691 GKKPDVVQZLXIHW-LCYFTJDESA-N 311.293 3.115 50 40 DGGB C[C@H]1CCCN(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)C1 101192719 LTQLKTOLZKGLED-OWRWYXLESA-N 303.793 3.418 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1F 59334913 WESUEZFJDJFHDS-WJDWOHSUSA-N 324.355 3.400 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 13137325 WKOQTDHWDRBWJT-UKTHLTGXSA-N 324.311 3.143 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccsc1 6269266 CJNXUFXLUWXPNV-FRKPEAEDSA-N 308.790 3.239 50 40 DGGB O=C(O)c1ccc(Br)c(CBr)c1F 169796676 UIMGBRVFSVIBBB-UHFFFAOYSA-N 311.932 3.181 50 40 DGGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2669744 VXDYOCYFPMAXEE-JLHYYAGUSA-N 324.292 3.491 50 40 DGGB COc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(C)cc2)cc1O 482124 GWKXZOVZVZIXMO-CVEARBPZSA-N 317.772 3.405 50 40 DGGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(N)=O 17054878 DGYYKRJKEJXQGO-NTEUORMPSA-N 319.339 3.221 50 40 DGGB CCOc1ccc([C@@H]2CC(=O)NC(SCC)=C2C#N)cc1 9088976 HXJRSYJSIOTULO-ZDUSSCGKSA-N 302.399 3.177 50 40 DGGB CC(C)C(/C=C/c1ccc(Br)cc1)=N\NC(N)=O 16958260 DGUKFSCIZOPNRJ-ZXURELPXSA-N 310.195 3.143 50 40 DGGB COc1ccc(Cl)cc1/C=C/C=N/NC(=O)c1ccncc1 1709680 NNSHUPWAPSXPJX-FIFVVGQHSA-N 315.760 3.173 50 40 DGGB COc1ccc(CNC(=O)NNc2ccccc2Cl)cc1 32909499 VNGPNQARNCTTBV-UHFFFAOYSA-N 305.765 3.175 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Cc1ccccc1 59334985 WRCHFKBBZBUUGL-AQTBWJFISA-N 320.392 3.281 50 40 DGGB CCOC(=O)/C(C#N)=C1\C(=O)N2c3c(cccc31)C(C)=CC2(C)C 20609002 XDCMBFABIGSNDQ-PFONDFGASA-N 322.364 3.069 50 40 DGGB N#CC1=C(N)S[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 4634857 ZHQGVQNRKHDCLP-DOTOQJQBSA-N 306.390 3.462 50 40 DGGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccn1C 409103698 BGTUTNWKHBYPRA-QPEQYQDCSA-N 301.353 3.034 50 40 DGGB C/C(Cc1ccccc1)=N\NC(=O)c1cc(-c2ccccc2)n[nH]1 13562145 LVTWDCZMTVZQJL-XSFVSMFZSA-N 318.380 3.425 50 40 DGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 43350 ULGBZMNHFFMDMN-RGVLZGJSSA-N 324.380 3.477 50 40 DGGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccsc2)cc1 8558644 SPDYNXHDJNCGIU-RQZCQDPDSA-N 315.398 3.107 50 40 DGGB CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 34697474 FLJZOGMZXJYZAY-YBEGLDIGSA-N 320.348 3.493 50 40 DGGB COc1ccc(C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)cc1 19958640 WPQYXDICFPONOB-SECBINFHSA-N 316.999 3.360 50 40 DGGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(N)=O)cc21 208248346 CZOPDKZDKORWIV-ZBPACCJBSA-N 308.813 3.064 50 40 DGGB CC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccccc1 5070962 DJTSODWEQCBDMU-HMMYKYKNSA-N 306.369 3.187 50 40 DGGB CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccs1 5633756 DNCLMRQPZXJKEM-LFIBNONCSA-N 302.355 3.021 50 40 DGGB O=C(CCl)N(C[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 79404030 ACJZSRYZQPLIKF-INIZCTEOSA-N 320.864 3.128 50 40 DGGB NC(=O)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 5899086 RHPDZIURFDSKAN-QGOAFFKASA-N 308.168 3.414 50 40 DGGB O[C@@H](Br)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 5105138 BYWSKVCDDGAREW-AWVCJSPBSA-N 310.235 3.458 50 40 DGGB COc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1 59735 RCUNOICGXYEEKU-WOJGMQOQSA-N 314.410 3.246 50 40 DGGB COC(=O)c1ccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])cc1 3353192 SFQBKYUEBOOJGO-GXDHUFHOSA-N 308.293 3.446 50 40 DGGB CCc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 3576471 QEAYLZCGQJHMJP-XDHOZWIPSA-N 312.369 3.030 50 40 DGGB COc1sc(C(=O)CBr)cc1Br 8873710 VJFOGRAFIOLCFU-UHFFFAOYSA-N 313.998 3.097 50 40 DGGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccco1 4724003 PFTMBPSEXSLACX-CPNJWEJPSA-N 314.385 3.496 50 40 DGGB COc1ccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)c(OC)c1 409059757 OCFYSXANZBORAW-DFMPKFEDSA-N 324.380 3.176 50 40 DGGB N#C/C(=C/c1ccc(O)cc1)C(=O)NCCCc1ccccc1 213217214 SXRRKXUGOSFRDM-LGMDPLHJSA-N 306.365 3.048 50 40 DGGB Cc1cccc2c1N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260622288 SORKIPYBARMIAV-UKRRQHHQSA-N 303.450 3.102 50 40 DGGB COc1ccc(N/C=N/NC(=O)c2ccc(Cl)cc2)cc1 3041960 IHFCUWRPWHUAPV-UHFFFAOYSA-N 303.749 3.134 50 40 DGGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1 107849372 CKRZWGSAQOUFBV-DEDYPNTBSA-N 310.397 3.395 50 40 DGGB N#CC1=C(N)Oc2c(ccc3c(N)cccc23)[C@@H]1c1cccnc1 63111236 XFGNBOZWIXZCDY-KRWDZBQOSA-N 314.348 3.035 50 40 DGGB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 18266059 GGERAMZGKBVYIA-MRXNPFEDSA-N 321.380 3.025 50 40 DGGB COc1ccc(-c2cc3nc(CCl)[nH]c(=O)c3s2)cc1 7370767 XLUDIMYKVDCTEL-UHFFFAOYSA-N 306.774 3.399 50 40 DGGB CCCC[C@H](C(=O)NN)N1c2ccccc2C(C)=CC1(C)C 223227888 GIRCUZRZURAXCF-MRXNPFEDSA-N 301.434 3.237 50 40 DGGB CCO[Si](Cc1cc(F)cc(F)c1F)(OCC)OCC 575182266 QGHBCWAJERIETO-UHFFFAOYSA-N 308.372 3.234 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1cc(C)ccc1C 5417338 RHGNTSFQRTWKHQ-UHFFFAOYSA-N 303.406 3.314 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1C 5547086 VFKYVKRFKXMMTE-VXLYETTFSA-N 316.788 3.486 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)s1 6279064 HIHIEQBBKYWZJF-LFIBNONCSA-N 317.370 3.048 50 40 DGGB CCOC(=O)/C(C#N)=C1\CCCC[C@@H]1C(SC)=C(C#N)C#N 59662407 JYYQXSXRQDMIEJ-REQDGWNSSA-N 315.398 3.224 50 40 DGGB C=CCc1cc(/C=C(\C#N)C(N)=S)cc(OCC)c1OC 107593025 YQQQALXXMQFWDJ-MDWZMJQESA-N 302.399 3.015 50 40 DGGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(N)=O)c2c1 409008316 VRYPXMNPLMGMPR-LCYFTJDESA-N 310.353 3.029 50 40 DGGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1 53347290 KOWGJWCVJUJUCV-BOPFTXTBSA-N 307.397 3.398 50 40 DGGB Cc1cccc(Cn2cc(/C=N/NC(N)=O)c3ccccc32)c1 409001269 OSWFADLHIOLRKY-KEBDBYFISA-N 306.369 3.000 50 40 DGGB C/C=C1/C[N+]2(CC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 12661372 IPBVRFAPNWZMGD-BALOXPQGSA-O 321.444 3.392 50 40 DGGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cccc(O)c1 41726464 GIQQNZHZCCJFMD-NTEUORMPSA-N 308.337 3.255 50 40 DGGB N#C/C(=C/c1ccc(F)cc1)C(=O)NCCCc1ccccc1 255627545 PBLUAYHUGOIBNY-LGMDPLHJSA-N 308.356 3.482 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260616302 IBQFXRLHBRBXCW-ABAIWWIYSA-N 307.413 3.077 50 40 DGGB O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 5671438 ZVXYPNXAGDHXAP-UHFFFAOYSA-N 306.709 3.397 50 40 DGGB N#CC(C#N)=Cc1ccc(-c2cnc(N3CCOCC3)s2)cc1 16401301 FYNRKMPNNCBJHO-UHFFFAOYSA-N 322.393 3.077 50 40 DGGB NC(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 4591860 RRPXZVNDXLBUAW-CIAFOILYSA-N 319.364 3.421 50 40 DGGB COc1cccc(/C=C(\C#N)c2nnc3n2CCCCC3)c1OC 5524732 RWDXKVIMQALADF-SDNWHVSQSA-N 324.384 3.086 50 40 DGGB COc1cccc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)c1 195752143 SIHHFPDLUFWJTL-NDENLUEZSA-N 321.380 3.259 50 40 DGGB CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2ccc(C)cc21 260613077 CQLZLEXBCIDZMZ-INIZCTEOSA-N 301.434 3.011 50 40 DGGB Cc1ccsc1/C=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 486704 CSRLLTMAOYTANV-VIZOYTHASA-N 323.761 3.382 50 40 DGGB O=C1c2ccccc2C(=O)C1(CCl)c1ccc([N+](=O)[O-])cc1 5604709 BWNGBPCVTJTDNQ-UHFFFAOYSA-N 315.712 3.151 50 40 DGGB CCOC(=O)/C(C#N)=C/Nc1cc2ccccc2cc1C(=O)OC 84791150 RQUAVAGQUNRJKO-SDNWHVSQSA-N 324.336 3.009 50 40 DGGB Cc1c(/C=N\NC(=O)c2ccc(F)cc2)c2ccccc2n1C 33323116 YEAFPHSGIZFQGG-JAIQZWGSSA-N 309.344 3.390 50 40 DGGB CC(C)N(C(=O)CCl)[C@H]1CCCN(Cc2ccccc2)C1 79393738 OOUSTUBRGWCJNN-INIZCTEOSA-N 308.853 3.127 50 40 DGGB NNC(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1 216793646 FZBJCZLQPBDVGL-UHFFFAOYSA-N 303.321 3.252 50 40 DGGB CC1=C[C@]2(Nc3cc(-c4ccccc4)ccc3O2)C(C#N)=C(N)O1 40546222 BVLBRFQGXQWFMT-LJQANCHMSA-N 317.348 3.482 50 40 DGGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)cc1 37492 PZJNWNUIMQUZPV-GDNBJRDFSA-N 308.337 3.144 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2C)cc1OC 5620107 CSFKMDKYZSYTPU-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB CC(C)Oc1cccc(/C=N/NC(=O)COc2ccccc2)c1 4544314 LMVFWKFVWNDOSL-XDHOZWIPSA-N 312.369 3.003 50 40 DGGB Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccccc2)cc1 293596 WNJCUJVKKWKNJN-UDWIEESQSA-N 304.353 3.149 50 40 DGGB CC(C)C(/C=C/c1ccc(Br)cc1)=N/NC(N)=O 5715229 DGUKFSCIZOPNRJ-UEVSEEOOSA-N 310.195 3.143 50 40 DGGB CC/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(O)ccc1O 13321746 DRRUHMKRGPAUBI-NBVRZTHBSA-N 318.760 3.295 50 40 DGGB CCOC(=O)C(CCCCCCBr)C(=O)OCC 1685338 UEOSPPIPGYKPTO-UHFFFAOYSA-N 323.227 3.074 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1 4714673 CAZGWNBRZKIYHZ-OFBHVFLISA-N 324.380 3.089 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105407034 ANRXFLOWYGRAPO-ISEPTVEOSA-N 315.373 3.445 50 40 DGGB C=CCNC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 6456633 URGFAUDSLUXQAH-AQTBWJFISA-N 318.376 3.475 50 40 DGGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cccn2C)cc1 30820867 ZOCNUMNKBLIUIK-YQNUULROSA-N 313.401 3.068 50 40 DGGB COc1ccccc1/C=N\NC(=O)c1ccccc1-n1cccc1 38204648 NCGRZMOZGLKJEF-ZHZULCJRSA-N 319.364 3.250 50 40 DGGB O=C(Cn1ccc2ccccc21)N/N=C/CCc1ccccc1 199406058 DRDYACMMTBZJTR-DEDYPNTBSA-N 305.381 3.376 50 40 DGGB Cc1cccc2c1N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 223214283 SORKIPYBARMIAV-DZGCQCFKSA-N 303.450 3.102 50 40 DGGB Cc1ccccc1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 4833045 SVFANQNSAPENKA-UHFFFAOYSA-N 323.179 3.377 50 40 DGGB CCCCOC(=O)c1cc(NC(=O)CCl)ccc1Cl 6650515 YLCLSRJEMWDTAB-UHFFFAOYSA-N 304.173 3.474 50 40 DGGB Cc1ccc(NC(=O)CCl)cc1NC(=O)c1ccccc1 72334207 SXUMBGKRGIKTCU-UHFFFAOYSA-N 302.761 3.425 50 40 DGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Cl)ccc2O)n1 408979770 SDUCVVKXEDGKCG-WUXMJOGZSA-N 301.733 3.106 50 40 DGGB CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(Cl)cc1Cl 96518967 DXFNHHWFBXGVQP-VHSXEESVSA-N 317.621 3.026 50 40 DGGB C[C@H](CC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 2660963 RNNPWYUIUCUHDM-GFCCVEGCSA-N 316.788 3.295 50 40 DGGB O=[N+]([O-])[C@H](Br)[C@H](Br)c1ccccc1 1733925 DNKILUKMZPEIEV-SFYZADRCSA-N 308.957 3.120 50 40 DGGB Cc1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 6160700 NBQFPLXSRMXIDT-LLVKDONJSA-N 321.167 3.243 50 40 DGGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cccc(O)c1 23411421 TVIFANCZCUKXIR-VGOFMYFVSA-N 314.348 3.401 50 40 DGGB C[C@@H](O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104086754 VDGCNVKYAYAJGG-GOSISDBHSA-N 322.388 3.094 50 40 DGGB COc1ccccc1/C=C/C=C(\C#N)C(=O)NCc1ccccc1 3233637 GGNCBOUKLCEMBO-DPLIRVHYSA-N 318.376 3.475 50 40 DGGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101155994 ANRXFLOWYGRAPO-ZXHYLPQUSA-N 315.373 3.445 50 40 DGGB O=C(NN[C@@H]1CCCC/C1=N\O)Nc1cccc2ccccc12 5201309 HMMXJWNZHOUKNK-JJTVEENBSA-N 312.373 3.239 50 40 DGGB N#C/C(=C\c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4103839 PSJBGDCWJXSBQJ-RMKNXTFCSA-N 317.688 3.387 50 40 DGGB CC(C)C(=O)N(Nc1nc2ccccc2s1)C(=O)C(C)C 246965 VSEBCFDNOZHHED-UHFFFAOYSA-N 305.403 3.290 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccc(Cl)cc1 59138195 BLYQWYHHIXTXRD-WOJGMQOQSA-N 317.776 3.297 50 40 DGGB C/C(=N\NC(=O)c1ccco1)c1cccc(Br)c1 13736747 WAAVDMJCVDYNDL-OQLLNIDSSA-N 307.147 3.196 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)c(OC)c1 60512823 VNUPTRYDDGJWFC-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCl)c1 8155962 IHDXUAZNCIQSAW-UHFFFAOYSA-N 302.761 3.425 50 40 DGGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1ccco1 34881141 NXYXBTQHQAULGR-ODLFYWEKSA-N 315.348 3.091 50 40 DGGB C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(O)cc1 5943618 VFHYIXAUAHGONA-XSFVSMFZSA-N 319.364 3.337 50 40 DGGB O=C(CCl)/N=c1\sccn1Cc1cccc2ccccc12 13135527 UWMDLXSQGLERIU-VLGSPTGOSA-N 316.813 3.417 50 40 DGGB Cc1ccc([C@H](Br)[C@@H](Br)C(=O)O)cc1 2154636 SGZSQKUXROIKMV-DTWKUNHWSA-N 321.996 3.279 50 40 DGGB O=C(N/N=C/c1cccnc1)C(c1ccccc1)c1ccccc1 357675 XUNCFHVUOSZCFY-PXLXIMEGSA-N 315.376 3.364 50 40 DGGB CCCCCCC(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl 4403210 PXDROCOEYXYTLB-WCBMZHEXSA-N 304.645 3.193 50 40 DGGB BrC(Br)c1cccc2nsnc12 100248052 MPVCSKUEENTIJY-UHFFFAOYSA-N 307.998 3.480 50 40 DGGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(F)cc1 13838200 RQDSWHAAOVRPAM-JAIQZWGSSA-N 308.312 3.448 50 40 DGGB CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 256446033 NLYNIRQVMRLPIQ-ZRXGBZJSSA-N 312.406 3.231 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 13984526 YNPURASBGAXZQS-UDWIEESQSA-N 323.396 3.353 50 40 DGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 103627 PLQKCHLUFNTMRC-UDWIEESQSA-N 324.380 3.446 50 40 DGGB Cc1nn(C)c(C)c1/C=N/NC(=O)c1csc2ccccc12 372705 FGFGPIKOLRIARR-CAOOACKPSA-N 312.398 3.016 50 40 DGGB COC(=O)/C(C#N)=C(\CC(=C(C#N)C#N)c1ccccc1)SC 59608938 UVHDBMFOTGWGEL-FOCLMDBBSA-N 323.377 3.191 50 40 DGGB CC(C)CCOc1ccc(NC(=O)CBr)cc1 35605026 MAVXFWMBTMBBQS-UHFFFAOYSA-N 300.196 3.445 50 40 DGGB O=C(N/N=C/C=C/c1ccco1)c1cc(-c2ccccc2)on1 63381858 DFBLBPHUGJNGDC-HGBXGJOCSA-N 307.309 3.364 50 40 DGGB C/C(=N/NC(=O)CCCCCC(=O)N/N=C(/C)C(C)C)C(C)C 4646824 LVKKEAKXZPDEFF-DJTQBEGKSA-N 324.469 3.233 50 40 DGGB CN1C(=O)C(C#N)=C(S)N(c2ccccc2)[C@@H]1c1ccccc1 538953 GTFWJQMPYBZTDA-MRXNPFEDSA-N 321.405 3.329 50 40 DGGB CN1/C(=C\C=N\NC(=O)c2ccncc2)C(C)(C)c2ccccc21 12512845 XRJPFVMZCZCLPP-ZOCHUNCGSA-N 320.396 3.109 50 40 DGGB N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 3617646 YMZLVUJURHYLDS-MDWZMJQESA-N 324.311 3.143 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCC 4814071 XFHIYIKCBHCUJL-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB CC(C)N(Cc1ccccc1Br)C(=O)CCl 79420779 RZJBTQAQKQXFOG-UHFFFAOYSA-N 304.615 3.425 50 40 DGGB CSC(SC)=C(C#N)S(=O)(=O)c1cc(C)ccc1C 40478944 IHKPTYOLDLZZPF-UHFFFAOYSA-N 313.469 3.496 50 40 DGGB Cc1cc(Br)cc(C(=O)[C@@H](C)Br)c1O 5540177 DHQJONLUKZQFGM-ZCFIWIBFSA-N 321.996 3.429 50 40 DGGB C[C@H](Cl)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4079078 RAYRWFPLEJYYDP-LURJTMIESA-N 302.186 3.424 50 40 DGGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916586 ACKRUUQHZFWSIU-SFHVURJKSA-N 320.348 3.175 50 40 DGGB N#C/C(=C\c1cccc(OCCOc2ccccc2)c1)C(N)=S 408541608 CIVWNRSHYKDPDP-RVDMUPIBSA-N 324.405 3.337 50 40 DGGB C/C(=N/NC(=O)c1ccccc1N)C1C2CC3CC(C2)CC1C3 45708 BIIGCNPUGVUBMG-NHDPSOOVSA-N 311.429 3.447 50 40 DGGB CCN1c2ccc(/C=C(/C#N)C(=O)NC)cc2[C@H](C)CC1(C)C 208306719 NVFGKVROPMXYBE-MLJKTZRHSA-N 311.429 3.452 50 40 DGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccco2)cc1 1319461 DXGCEYXTYPPBAV-VBEHJTROSA-N 300.358 3.322 50 40 DGGB CC(=O)O[C@@H](C)[C@@]12CC[C@H](C=C1C#N)CN2Cc1ccccc1 104097345 AUYUQMTWUXZUJU-YJLNNSPDSA-N 310.397 3.053 50 40 DGGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 408812652 NGVGYTITEPHETJ-UQRISPGASA-N 301.390 3.092 50 40 DGGB Cc1c(/C=N/NC(=O)COc2ccccc2)c2ccccc2n1C 4045425 CQRXKIDEFXSPNO-UDWIEESQSA-N 321.380 3.016 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1cc(O)ccc1O 408562972 HCRFZPUQLNCSII-VCHYOVAHSA-N 318.760 3.214 50 40 DGGB CCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CCl 79414956 MPPPTDORYNZRSE-HOTGVXAUSA-N 308.853 3.175 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[C@@]12C=C[C@@H](CC1)C2 406830 YFOKAEBVDIPRDR-MAAWUACBSA-N 310.397 3.326 50 40 DGGB Cc1csc([C@@H]2C(=N)NC(S)=C(C#N)C23CCCC3)n1 36048048 LCGGOWPFINJVAZ-JTQLQIEISA-N 304.444 3.341 50 40 DGGB CC1(CC(=O)N/N=C/C=C/c2ccccc2)SCCS1 7003734 SDGKEPJBZVMUPM-ZCPHBQKFSA-N 306.456 3.388 50 40 DGGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(C)o2)cc1Cl 408592582 ZMLJIIKFXBNHDQ-CAOOACKPSA-N 322.748 3.023 50 40 DGGB Cc1ccccc1C(=O)[C@H](Br)CBr 307044390 XBZASLCFIYGIAY-SECBINFHSA-N 305.997 3.336 50 40 DGGB CC1=C[C@@]2(C)C=C(C)[C@@]3(OC(c4ccccc4)=C(C#N)C3=N2)C1=O 1612417 HWVQANDNOWOBQB-PMACEKPBSA-N 316.360 3.379 50 40 DGGB O=C(CSCc1ccccc1)N/N=C/c1ccccc1F 20248704 ITJQHTFBKHRTPB-VCHYOVAHSA-N 302.374 3.209 50 40 DGGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(N)=O)c1C 6390994 WUEUMYPWJRSLNC-QGMBQPNBSA-N 304.781 3.058 50 40 DGGB NNC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 226332817 ADHUVLXCXFEJTE-JLHYYAGUSA-N 318.376 3.422 50 40 DGGB CC(=O)c1cccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1 149281 YTXFRJZVUGGHHT-UHFFFAOYSA-N 316.316 3.158 50 40 DGGB CCOc1ccccc1/C=C(/C#N)C(=O)Nn1c(C)ccc1C 409380640 OTKPYCWTLIVIQY-WJDWOHSUSA-N 309.369 3.181 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1Cl 5795259 UFQXZNMTMNKASB-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB O=C(CCl)NC(=O)N(/N=C\c1ccccc1)c1ccccc1 8618847 RUKNIEDLZKAHJF-PDGQHHTCSA-N 315.760 3.002 50 40 DGGB C/C(=N/NC(=O)c1ccc(N)cc1)c1ccccc1OC(F)F 35614886 RZBVLWICJGFUEC-JMIUGGIZSA-N 319.311 3.024 50 40 DGGB Cc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)cc1 33381376 IXQQAHMZJDZHKL-ODLFYWEKSA-N 306.369 3.023 50 40 DGGB N#C/C(=C/c1ccco1)C(=O)Nc1ccc2nc(S)oc2c1 584908101 LZNGUGLQLBVRLW-TWGQIWQCSA-N 311.322 3.255 50 40 DGGB O=[N+]([O-])c1ccc(OC(F)(F)F)cc1CBr 114039539 WVEQOTDSEYBKTM-UHFFFAOYSA-N 300.030 3.388 50 40 DGGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 203837 KRLMWYSXJTTWKX-INIZCTEOSA-N 310.378 3.332 50 40 DGGB CCOc1ccc(CC(=O)N/N=C(\CC)c2ccco2)cc1 10476062 RWLGFKHAHNZISL-OBGWFSINSA-N 300.358 3.151 50 40 DGGB O=C(COc1ccc(Cl)cc1)N/N=C/C=C/c1ccco1 3088719 VFUVUZHVCCPBPN-COQIBVDLSA-N 304.733 3.127 50 40 DGGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccnc1 4587114 CBYTZUKDHGZUMC-UDWIEESQSA-N 305.337 3.094 50 40 DGGB Cc1ccc(/C=N/NC(=O)CSCCc2ccccc2)cc1 408724889 BZLFLZOZJLDSAL-CPNJWEJPSA-N 312.438 3.421 50 40 DGGB Cn1cccc1CC(=O)N/N=C\c1ccc(Cl)cc1Cl 32576894 SSOPQQUNTJJPNY-MFOYZWKCSA-N 310.184 3.025 50 40 DGGB COc1cc(/C=N/NC(=O)C2CC2)ccc1OCc1ccccc1 2790444 ROJOGPIKNWCDCO-UDWIEESQSA-N 324.380 3.134 50 40 DGGB CCOc1ccc(N/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102984688 FXVGDAKDQXJIPT-PEZBUJJGSA-N 321.380 3.221 50 40 DGGB N#C/C=C/C(C#N)=C/Nc1ccc(I)cc1 100419147 LKGVMHWGWMESDD-XNFVDKGPSA-N 321.121 3.190 50 40 DGGB C/C(=N/NC(=O)c1ccc(Br)s1)c1cccnc1 15934359 IUDUWXNWWRJYQM-NVNXTCNLSA-N 324.203 3.060 50 40 DGGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(Cl)cc1 409382799 RBDNEICZMXBUPU-XDHOZWIPSA-N 307.825 3.103 50 40 DGGB N#C/C(=C\c1ccc(O)cc1O)C(=O)Nc1ccc(Cl)cc1 566391 BCYWNVMLXRVNTL-YRNVUSSQSA-N 314.728 3.297 50 40 DGGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@@H](c2cccs2)N1C 1610058 PIXKKCRQWFPQQW-HNNXBMFYSA-N 323.421 3.475 50 40 DGGB Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 107874501 CWKANZVJTVGEHI-RAXLEYEMSA-N 317.348 3.430 50 40 DGGB CC[C@H]1C(C#N)=C(SCC(N)=O)N=C2CC(C)(C)CC(O)=C21 101962724 YLSJYPDAMFVTTR-VIFPVBQESA-N 319.430 3.053 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c1 23215085 YWZYKZZCSOEGTJ-MDWZMJQESA-N 323.308 3.149 50 40 DGGB COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2ccccc2C)c1 33323599 FYMOXNXMFSGRCD-ZROIWOOFSA-N 308.337 3.255 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C\c1ccc(Cl)cc1 32186332 SMRQNMIWCMSHPQ-ZDLGFXPLSA-N 302.761 3.178 50 40 DGGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1ccco1 32192939 NERJMDZAZVDJFT-WQRHYEAKSA-N 313.744 3.488 50 40 DGGB C[C@@H](NC(=O)CBr)C12CC3CC(CC(C3)C1)C2 59642110 MVDIVSWZHGWOFF-GVDDXCRBSA-N 300.240 3.102 50 40 DGGB CCCc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)o1 8811234 BUOLIHIRAAJROH-WOJGMQOQSA-N 316.357 3.013 50 40 DGGB CC[C@H]1CCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1 4545214 BSSVMIACAMVNBY-FDXCNZBMSA-N 301.390 3.088 50 40 DGGB O=C(c1cccc(F)c1)[C@H](Br)CBr 307334787 MDKAWIWJPASJIS-MRVPVSSYSA-N 309.960 3.167 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\C=C\c2ccco2)cc1 65844764 VLYZGRJHXQYLBW-QPWXGNKNSA-N 308.337 3.068 50 40 DGGB CC(C)N(C[C@@H]1CCCN1Cc1ccccc1)C(=O)CCl 79393730 KGJRKGZKEPUWJC-INIZCTEOSA-N 308.853 3.127 50 40 DGGB COc1ccccc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2 44028775 ZZVBJZSBOPYAIJ-RIYZIHGNSA-N 307.305 3.214 50 40 DGGB COC(=O)c1ccc(CBr)c(C(F)(F)F)c1C#N 575381893 AANQHHODWYFQBE-UHFFFAOYSA-N 322.080 3.259 50 40 DGGB COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1 7384864 FZMVKMPTXMPCFH-XSFVSMFZSA-N 323.396 3.059 50 40 DGGB CC1=CC(=C(C#N)C#N)C=C(C)N1C[C@H]1COc2ccccc2O1 6763902 DBYIONCQOFOTAO-KRWDZBQOSA-N 319.364 3.293 50 40 DGGB CC[C@@H]1C(C#N)=C(SCC(N)=O)N=C2CC(C)(C)CC(O)=C21 101962720 YLSJYPDAMFVTTR-SECBINFHSA-N 319.430 3.053 50 40 DGGB O=C(NNC(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 6930645 IGNOHUKBPKMGSK-UHFFFAOYSA-N 315.200 3.335 50 40 DGGB CC(C)(C)C1CCC(C(=O)NNC(=O)c2ccccc2F)CC1 15794828 SNHXJHFGLJRXGG-UHFFFAOYSA-N 320.408 3.439 50 40 DGGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 409021030 XBSBENMKWUBCIA-QGMBQPNBSA-N 307.756 3.357 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1[N+](=O)[O-] 101358574 WTGZNJVIGDBNMS-GDEIXCJASA-N 315.373 3.180 50 40 DGGB O=C(NNC(=O)c1ccccc1O)Nc1cccc2ccccc12 3129963 IAWHUQWCUOPHMO-UHFFFAOYSA-N 321.336 3.012 50 40 DGGB COc1ccc(NC(=O)c2ccccc2NC(=O)CCl)cc1 3316867 RLJLNPLKHLRTJO-UHFFFAOYSA-N 318.760 3.125 50 40 DGGB N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)Nc1cccc(O)c1 61721018 SHQNQMVUCKJIIO-NTEUORMPSA-N 303.321 3.419 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1 408875747 KNBDXYQLRJCOND-YCJGHPDOSA-N 317.433 3.402 50 40 DGGB CCC[C@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223222127 IBQFXRLHBRBXCW-XHDPSFHLSA-N 307.413 3.077 50 40 DGGB Cc1nnc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)s1 138369 ZAQRBGAORXKDEL-UXBLZVDNSA-N 304.762 3.046 50 40 DGGB CCn1ccnc1[P@@](=O)(c1ccccc1)N1CCCCCC1 3172237 IYXNXDJXSWHVDN-QFIPXVFZSA-N 317.373 3.008 50 40 DGGB Cc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1 9291105 JHEIKWDTMOAIHV-XSFVSMFZSA-N 307.397 3.359 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C 408795780 WFTKZCWTHCDSMU-GXDHUFHOSA-N 308.337 3.255 50 40 DGGB N#C/C(=C\c1ccc(O)cc1O)C(=O)Nc1cccc(Cl)c1 408735794 XTZAPXURVQLXIG-IZZDOVSWSA-N 314.728 3.297 50 40 DGGB N#C[C@@H](C(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 409198343 DDYALGBDPWERME-HMASQMOLSA-N 315.735 3.237 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OCC 193408019 DEBYUBBAPGODJI-RVDMUPIBSA-N 314.385 3.013 50 40 DGGB CC(C)OC(=O)[C@@H](C)N[P@@](=O)(Cl)Oc1ccccc1 114020078 SKAAFTUHFLUIKV-GIGQVBGESA-N 305.698 3.342 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)c(C)c1 5823333 AQNQRLANYHOOTL-UHFFFAOYSA-N 322.364 3.433 50 40 DGGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1cc(C)ccc1C 487204 XKCWOGQUKGMVBL-KGENOOAVSA-N 313.376 3.395 50 40 DGGB CC1=NN(c2ccc(C(=O)NN(C)c3ccccc3)cc2)CC1 45007527 JEGUAHJSYSSNHR-UHFFFAOYSA-N 308.385 3.054 50 40 DGGB CC(C)(C)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2 14234829 UPEOYOWJYOITTH-UHFFFAOYSA-N 308.447 3.214 50 40 DGGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1ccccc1F 408880268 FUGDKDFFHLUWME-CXUHLZMHSA-N 324.355 3.207 50 40 DGGB O=C(N/N=C\c1cccc(Br)c1)c1ccccc1 33319150 UYQGXLVWJRZIPK-YBEGLDIGSA-N 303.159 3.213 50 40 DGGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C)c1cccc([N+](=O)[O-])c1 100177022 LQXXVXKKVXXJSS-WVRRQVMNSA-N 315.373 3.261 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Nc2ccccc2)cc1 369871 WFIJMTZGJFGVGC-GNUZOCDUSA-N 311.385 3.036 50 40 DGGB N#CC(C#N)=Cc1cn(CC(=O)NC2CCCC2)c2ccccc12 798076 VGIJLCGCGCPCNI-UHFFFAOYSA-N 318.380 3.131 50 40 DGGB O=C(O)c1cc(Cl)cc(NC(=O)C(Cl)Cl)c1Cl 1624907 DRRVSIJTVLIPMM-UHFFFAOYSA-N 316.955 3.434 50 40 DGGB CC1(C)OC2=C(C[C@@H]1Br)C(=O)C(=O)c1ccccc12 1653704 AUROYOJYCLWCML-NSHDSACASA-N 321.170 3.126 50 40 DGGB in-vitro CCOc1ccc(NCC(=O)N/N=C2\CCC[C@@H]2CC)cc1 12404041 QGTLGZSTYJGYGQ-NIGUIEARSA-N 303.406 3.180 50 40 DGGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2c(C)cccc2C)c1C 408998075 HXYLVFUPKYKQDS-YVLHZVERSA-N 307.397 3.364 50 40 DGGB COc1cc(C)c(/C=N\NC(=O)Nc2ccccc2)cc1OC 408548074 CUSLBVKCZHBVOF-WQRHYEAKSA-N 313.357 3.168 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/C2=CC[C@@H]3C[C@H]2C3(C)C)c1 33045646 SJRYXBTVTUPNSS-QHZLGBHASA-N 312.413 3.468 50 40 DGGB N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1cccc(O)c1 79491821 KNPPBRCFJYWRNP-MRXNPFEDSA-N 303.321 3.092 50 40 DGGB O=C(N/N=C/c1ccccc1Br)c1ccccc1 3093527 IBOPPHGFEKKLNZ-MHWRWJLKSA-N 303.159 3.213 50 40 DGGB COCCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 5068573 IVCAEBCDUBNYBT-UXBLZVDNSA-N 300.141 3.090 50 40 DGGB Cc1cccc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)c1 4646961 CWGBYEFNCKGAKC-XLTHYULKSA-N 324.380 3.318 50 40 DGGB N#CC1=C(N)C2=CCCC[C@@H]2[C@H](c2ccc(F)cc2)C1(C#N)C#N 16034200 DQGOIWLWWGQISA-YOEHRIQHSA-N 318.355 3.419 50 40 DGGB C/C(=N\NC(=O)CC1(C)SCCS1)c1ccc(C)cc1 38534974 HWCOBGWZMDVJGY-FOWTUZBSSA-N 308.472 3.422 50 40 DGGB CC1(C)CC(=O)C/C(=N\NC(=O)c2cc3ccccc3cc2O)C1 100202286 KCYFXEQJSVUMQL-XSFVSMFZSA-N 324.380 3.410 50 40 DGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)cc2C)c1 2657108 DBHXLJRJNGRDIF-YBFXNURJSA-N 312.369 3.085 50 40 DGGB CCCC/C(C)=N\NC(=O)C(=O)Nc1cccc2ccccc12 59515801 PBSSWODIFMPETG-MOSHPQCFSA-N 311.385 3.461 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2F)cc1 73116560 SUQBHICOEASAAD-GDNBJRDFSA-N 310.328 3.058 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223221609 RBEXLKORXYNMFL-BBRMVZONSA-N 303.450 3.246 50 40 DGGB CCn1c(C)c(/C=N/NC(=O)c2ccccc2O)c2ccccc21 562589 AFGNWASFXSSIIT-UDWIEESQSA-N 321.380 3.439 50 40 DGGB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCCl 3176149 SLILHXDZWCDHAD-HOCLYGCPSA-N 306.837 3.148 50 40 DGGB CO[C@H](C(=O)N/N=C(\C)c1ccc(F)cc1)c1ccccc1 58915871 ILDVQRDUCIVAPS-QUYZQLMHSA-N 300.333 3.054 50 40 DGGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)c1 28216551 LXMLQUCHYDUWFY-RGVLZGJSSA-N 308.385 3.075 50 40 DGGB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCl 96300820 HSYQNSHSHURABJ-UHFFFAOYSA-N 302.761 3.425 50 40 DGGB CCCCc1cnc(C2=NO[C@@](C)(C(=O)Cl)C2)c(Cl)n1 85347609 ARUNXJDRJWSCDR-CYBMUJFWSA-N 316.188 3.121 50 40 DGGB CC(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 5726138 KJWYOTWMFLBRBP-KEBDBYFISA-N 309.344 3.299 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C)cc2)cc1OC 13954021 KUBNXTSPRHHJAM-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OCCCl 2045534 RLAPKRSEFMXZNN-MRVPVSSYSA-N 306.145 3.059 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C/C=C/c2ccccc2)cc1 573849 YNWQZOJNMIKJMP-HYZSBJHASA-N 318.376 3.475 50 40 DGGB COc1cc(C=O)ccc1O/C(=C/C#N)c1cccc([N+](=O)[O-])c1 3287332 YBKRMLKYCXUNFK-VIZOYTHASA-N 324.292 3.359 50 40 DGGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1F)OCO2 38536875 DOKQFMUVFKYQPU-NTUHNPAUSA-N 324.311 3.409 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 71374 NIUOVWKEWHHRHM-SFQUDFHCSA-N 306.365 3.309 50 40 DGGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(F)cc1 345244 LLARWPXZNDNBEP-XSFVSMFZSA-N 314.360 3.362 50 40 DGGB COc1ccc(CSCC(=O)N/N=C/c2cccs2)cc1 59473621 IXRDDAZPMRYUPD-CXUHLZMHSA-N 320.439 3.140 50 40 DGGB COc1ccccc1CC(=O)N/N=C1/CCCCc2ccccc21 63387191 CYPPYPMXIJBBFI-UZYVYHOESA-N 322.408 3.485 50 40 DGGB C=C1CC(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)C1 408729977 MDFZCNBPBFPJST-VXLYETTFSA-N 324.336 3.061 50 40 DGGB CC1(CCl)COP(=O)(n2cnc3ccccc32)OC1 1592888 PTLOJPFQKQRBCG-UHFFFAOYSA-N 300.682 3.284 50 40 DGGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(N)=O 23402400 ZLYONMOBQIBWBT-VQHVLOKHSA-N 304.758 3.476 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 20197506 LURZMOCNZAATMS-DEDYPNTBSA-N 307.353 3.111 50 40 DGGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(N)=O 408877259 TZVQNHQYLFMWDU-VGOFMYFVSA-N 314.747 3.462 50 40 DGGB Cc1occc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2o1 14239363 YPVXSLJCAJYFLJ-UHFFFAOYSA-N 318.716 3.062 50 40 DGGB O=C(N/N=C/c1cccc2ccccc12)[C@H](O)c1ccccc1 352958 LMJKQWWSFQVZTM-JZQBQCRLSA-N 304.349 3.024 50 40 DGGB Cc1ccc2c(CC(=O)NNC(=O)OC(C)(C)C)coc2c1C 17398251 IKCUXLQZTBSGMC-UHFFFAOYSA-N 318.373 3.148 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)c2ccccc2Cl)cc1 5480026 ZJGPJJFSMMUTSW-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1O 3082757 SBXBIPPSLBODOV-FHXOWUIVSA-N 314.410 3.164 50 40 DGGB COc1ccc(Cl)cc1/C=C\C=N\NC(=O)c1ccncc1 8637478 NNSHUPWAPSXPJX-OOAAVESJSA-N 315.760 3.173 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccccc1Cl 59434381 VBTHYRVQHZUOKR-UHFFFAOYSA-N 309.797 3.351 50 40 DGGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(C)c(C)c1 4690676 XIQWIPIFWYXXBK-XMHGGMMESA-N 303.406 3.314 50 40 DGGB Cc1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1 38654478 VYPYWHCJDLMHMT-UHFFFAOYSA-N 314.341 3.425 50 40 DGGB CCOP(=O)(OCC)[C@@H](Br)CSC(C)=O 5462898 DPVMHDKBDSLHSL-MRVPVSSYSA-N 319.157 3.253 50 40 DGGB Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2O)c2ccccc21 141725 JERRNTIRXOVXGL-JLHYYAGUSA-N 317.348 3.430 50 40 DGGB CS/C(=C(/C#N)S(=O)(=O)c1ccccc1)N1CCCCC1 72207584 HFNGUXVGXNUUKL-PFONDFGASA-N 322.455 3.002 50 40 DGGB O=C(N/N=C/c1ccc(F)s1)c1ccccc1-n1cccc1 252509363 YMDMWVLEZIFOSF-WOJGMQOQSA-N 313.357 3.442 50 40 DGGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccn1 567456 WCSJMBURVMIXFB-WOJGMQOQSA-N 319.817 3.368 50 40 DGGB O=[N+]([O-])c1cc(Br)c(CBr)cc1F 258830293 FOIZEELKCQJUEO-UHFFFAOYSA-N 312.920 3.391 50 40 DGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 43354 VXQOAGQOKGGJDG-LICLKQGHSA-N 315.329 3.249 50 40 DGGB COc1cc(Br)c(CCBr)cc1OC 1727281 MMWSAIRJUPXSDK-UHFFFAOYSA-N 324.012 3.404 50 40 DGGB C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)c1ccccc1 4690537 WVOBKNZRPNCODU-RCCKNPSSSA-N 323.396 3.438 50 40 DGGB O=C(N/N=C/c1cc(Br)cs1)c1ccccc1 4814080 MOPXQHZGQVGMST-VGOFMYFVSA-N 309.188 3.275 50 40 DGGB CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)c1ccccc1O 408600198 AGTPQDPMVDLZCB-CQLSMYGBSA-N 312.369 3.333 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)c1 195380529 QSSUXCJYDMPNLX-VBKFSLOCSA-N 317.348 3.443 50 40 DGGB COc1cc(/C(C#N)=C/c2ccccn2)c([N+](=O)[O-])cc1OC 4817546 NPNGKQVZNIPDKT-YRNVUSSQSA-N 311.297 3.071 50 40 DGGB Cc1nc2sccn2c1C(=O)N/N=C/c1cccc(Cl)c1 59516169 SKWICGFFIZNQJA-LZYBPNLTSA-N 318.789 3.122 50 40 DGGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Cl)c1)C(N)=O 3242716 LNUABETXKBEUKV-ZSOIEALJSA-N 312.756 3.311 50 40 DGGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1 1803176 CXVYYRSJBRMTHQ-NTCAYCPXSA-N 305.337 3.192 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1O 108503604 NYPPCHMWUJVNKD-RBKNPADFSA-N 316.401 3.067 50 40 DGGB COc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1 58314033 MRVPCTCVRLLOBU-UHFFFAOYSA-N 310.275 3.471 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 13129853 UAZUIXPEDQUPGZ-VXLYETTFSA-N 310.353 3.303 50 40 DGGB CN1CCC(=NNC(=O)c2cc3c(ccc4ccccc43)o2)CC1 66345736 DPEITNZWMCLUAJ-UHFFFAOYSA-N 321.380 3.397 50 40 DGGB Cc1csc([C@@H]2C(=O)NC(S)=C(C#N)C23CCCCC3)n1 4205530 GKDGJKDGHHITIC-NSHDSACASA-N 319.455 3.280 50 40 DGGB C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccccn1 6367663 ZUTBKIXNCFENDA-XSFVSMFZSA-N 304.353 3.026 50 40 DGGB N#CC1=C2CCCCCN2c2cc(Cl)ccc2S1(=O)=O 67172875 LTTNHMMFTSVKBC-UHFFFAOYSA-N 308.790 3.243 50 40 DGGB C/C(=N\NC(=O)c1cc(C)nc2ccc(C)cc12)c1ccncc1 15933721 RQQZAOAAESARSU-HYARGMPZSA-N 318.380 3.401 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1 408875749 KNBDXYQLRJCOND-YQXQBJGVSA-N 317.433 3.402 50 40 DGGB CCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)CCC3)cc1 6207536 ZDZIFDVENUJOAP-DEDYPNTBSA-N 308.381 3.338 50 40 DGGB CN(C)c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1[N+](=O)[O-] 13137500 ASFOGZVTKMMUBH-XYOKQWHBSA-N 301.346 3.183 50 40 DGGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 18266062 GGERAMZGKBVYIA-INIZCTEOSA-N 321.380 3.025 50 40 DGGB C=CCc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(OC)c1O 409202706 TZJDUXSFCHOARP-NDENLUEZSA-N 324.380 3.202 50 40 DGGB C[C@H](I)C(=O)Nc1ccc(Cl)cc1 72226323 IDWKTUYNANYXCM-LURJTMIESA-N 309.534 3.102 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 921057 UVQSFBLHQOVEBY-KEBDBYFISA-N 322.286 3.478 50 40 DGGB O=C(COc1ccc(Cl)cc1)N/N=C\C=C\c1ccco1 16430083 VFUVUZHVCCPBPN-IZUKZVJKSA-N 304.733 3.127 50 40 DGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(Cl)c1 491571 LFWAADKAXMVYPD-VXLYETTFSA-N 316.788 3.486 50 40 DGGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccccc2)CC1 8306885 VKLFFZSACCGPOS-UHFFFAOYSA-N 315.417 3.334 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccncc2)c(C)n1-c1ccccc1 3282707 NGDJAGHRGRCOQE-FYJGNVAPSA-N 318.380 3.253 50 40 DGGB CC/C(=N\NC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 5384981 IZWBASCDEUROPT-HTXNQAPBSA-N 312.369 3.248 50 40 DGGB COc1ccc2c(c1)[C@](C)(c1ccccc1)CC/C2=N\NC(N)=O 17885195 VIVJIWYZBZUTOD-MXTRNAPSSA-N 323.396 3.167 50 40 DGGB C[N+](C)(C)CC(=O)N/N=C/c1c2ccccc2cc2ccccc12 4263154 MVHLJUGWXBEORK-FYJGNVAPSA-O 320.416 3.149 50 40 DGGB CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846195 CURMTYLGYFAOSJ-GOSISDBHSA-N 321.380 3.276 50 40 DGGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 58886789 RJCIKAHIFWYKKX-QUYZQLMHSA-N 316.788 3.304 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 9190556 ZXQUWUXNKABFPL-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1O 408756278 RCLLPHCEUXAPCA-UVTDQMKNSA-N 306.321 3.140 50 40 DGGB CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408997957 PHDPOAIHNDCMFM-XNTDXEJSSA-N 309.369 3.268 50 40 DGGB CCn1cccc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409248634 HMLBHLPRXNDHLP-VKAVYKQESA-N 307.397 3.164 50 40 DGGB Cc1ccc(C)n1/N=C(O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 34894900 YGTKXOSNCIFEID-ZSOIEALJSA-N 310.313 3.340 50 40 DGGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1 7894967 LQOQZSWXBMVKFB-DNTJNYDQSA-N 324.306 3.115 50 40 DGGB Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C 59333750 DVSZLJPYIGPWJF-BOPFTXTBSA-N 307.397 3.398 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(OCC)cc1 59434230 OXFZXTGBLBUEFM-UHFFFAOYSA-N 319.405 3.096 50 40 DGGB CCN(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 8745302 ZUKSLRMOLGGDIH-UHFFFAOYSA-N 313.357 3.383 50 40 DGGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1 4723081 AGXOGZVRSZCBMC-XNTDXEJSSA-N 310.353 3.290 50 40 DGGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 5282566 OMETYEUXOMCTRK-LICLKQGHSA-N 317.732 3.402 50 40 DGGB N#CC1=C(O)NC(O)=C(C#N)C1c1c(Cl)cccc1Cl 1624577 XWKMLKDLYVIPKU-UHFFFAOYSA-N 308.124 3.267 50 40 DGGB CCCCCC(=O)OC[C@@H](Br)CBr 2045593 MHCMWLLEMJCJCZ-QMMMGPOBSA-N 316.033 3.268 50 40 DGGB Cc1nn(C)c(C)c1C(=O)NNc1ccc(Cl)c(Cl)c1 32901562 RKLKJDMICQKRMT-UHFFFAOYSA-N 313.188 3.101 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1 59334907 LXPJETYLJMQRCR-ATVHPVEESA-N 306.365 3.261 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 5381613 XDZPYURXOUIULQ-LJNFXEMMSA-N 323.352 3.239 50 40 DGGB C=CCSC1=C(C#N)[C@@H](c2ccccc2OCC)CC(=O)N1 9109435 RAOSUHAWSOXLIJ-CYBMUJFWSA-N 314.410 3.343 50 40 DGGB O=C(NCc1ccc2c(c1)OCO2)[C@H](Cl)c1ccccc1 5901845 OJNQJEDIWINDEN-OAHLLOKOSA-N 303.745 3.012 50 40 DGGB in-vitro N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc(C(=O)O)cc1 408542645 MTPRHOYJQWKOMV-QPEQYQDCSA-N 310.265 3.063 50 40 DGGB O=C(c1ccccc1F)[C@@H](Br)CBr 306967244 PNXFXIRLEPHMAA-ZETCQYMHSA-N 309.960 3.167 50 40 DGGB N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 255207187 LWAKLTQPTSXCFO-GHXNOFRVSA-N 311.253 3.273 50 40 DGGB C/C(N)=C(\C#N)C(=O)CSc1nc2cc(Cl)ccc2s1 104585273 UBZSVEAJLLLMTG-CLFYSBASSA-N 323.830 3.367 50 40 DGGB N#CC1=C(N)C2=CCCC[C@@H]2[C@@H](c2ccc(F)cc2)C1(C#N)C#N 16034201 DQGOIWLWWGQISA-WMLDXEAASA-N 318.355 3.419 50 40 DGGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc(Cl)cc1 59515739 JVBRHMCRUYLIQE-UHFFFAOYSA-N 321.808 3.495 50 40 DGGB Cc1ccccc1COc1ccc(/C=C/C(=O)NN)cc1Cl 226332978 OJXKDYTVCIZBGP-VQHVLOKHSA-N 316.788 3.231 50 40 DGGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)C(C)C 4402063 YQFJELFHNOKNMS-VCHYOVAHSA-N 309.797 3.125 50 40 DGGB O=C(NNc1ccncc1)NC(c1ccccc1)c1ccccc1 1467693 JLEAMLWECQQESY-UHFFFAOYSA-N 318.380 3.497 50 40 DGGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)Cn1cnc3ccccc31)C2 58394216 LQUNSBKUMPGBSX-FTWXIHLNSA-N 324.428 3.355 50 40 DGGB CCCCCC(/C=N/NC(=O)C[N+](C)(C)C)=C\c1ccccc1 17002549 JZTBNRMHHZUUBL-ATHDRGGISA-O 316.469 3.459 50 40 DGGB CC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1O 369930 ZGJOUBATFGLNQQ-OQSOEKIESA-N 308.381 3.426 50 40 DGGB Cc1ccc(C[N+](C)(CCCl)CCCl)c([N+](=O)[O-])c1 1637824 OOKAMXJWIPWPQB-UHFFFAOYSA-N 306.213 3.327 50 40 DGGB O=C(CSCc1ccccc1Cl)N/N=C/c1cccnc1 59166777 LMBQDCDNXLPKBQ-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 36033993 XWLVPSJUFSAHSF-YRNVUSSQSA-N 306.281 3.241 50 40 DGGB NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2576195 YPHUVMYXYSWPTE-UHFFFAOYSA-N 303.774 3.220 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1Br 4150423 NQGXKGHXKDPTPM-HRKIKQIHSA-N 319.202 3.377 50 40 DGGB CCN(NC(=O)c1ccccc1)c1cc(C)c(C#N)c(Cl)n1 12411825 WDVGGSOENRIMDL-UHFFFAOYSA-N 314.776 3.086 50 40 DGGB Cc1ccsc1/C=N/NC(=O)COc1ccccc1Cl 566524 NRONELHWZWRTNP-LZYBPNLTSA-N 308.790 3.239 50 40 DGGB O=C(CCl)N[C@H]1CC[C@H](N(Cc2ccccc2)C2CC2)CC1 100178609 UMFLLXZDHWNLPC-IYBDPMFKSA-N 320.864 3.317 50 40 DGGB O=[P@](CCl)(OCCCl)N(CCCl)CCCl 104379144 AVEVMGSJZDLSID-OAHLLOKOSA-N 316.980 3.411 50 40 DGGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(O)c2ccccc2n1 3899755 NOIFWKVMSUJBLK-XYOKQWHBSA-N 318.292 3.308 50 40 DGGB CC[C@@H](Br)C(=O)Nc1c(F)c(F)cc(F)c1F 70451389 QXJONGUKPNBQDA-SCSAIBSYSA-N 314.076 3.355 50 40 DGGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CC#N)c1C 28216554 MOTJLQMMABMAAF-RGVLZGJSSA-N 308.385 3.075 50 40 DGGB CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 8916530 DPNDMYMIIDHEFI-GOSISDBHSA-N 322.364 3.399 50 40 DGGB O=C(CCSc1ccccc1)N/N=C/c1ccccc1O 36564 NQZANJBZSCFBPC-SFQUDFHCSA-N 300.383 3.025 50 40 DGGB CC(C)O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br 100295794 VBCCRFGEAJEXLD-XUWVNRHRSA-N 324.262 3.448 50 40 DGGB C=C(C)CSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(=O)N1 4133222 RTSLBUFNFUQYGI-GFCCVEGCSA-N 301.415 3.251 50 40 DGGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 408797168 BMKUQYYMEUDHSH-PUAODOJSSA-N 312.369 3.017 50 40 DGGB O=C(N/N=C\c1ccc(O)cc1)c1ccccc1C(F)(F)F 408779027 PDPATDPRRYJMNP-OCKHKDLRSA-N 308.259 3.175 50 40 DGGB CCN(CC)C[Si](C)(C)O[Si](C)(C)CN(CC)CC 195761026 HMPITZJJTJRSTC-UHFFFAOYSA-N 304.627 3.175 50 40 DGGB CC(=O)N/N=C1\CCCc2c1[nH]c1ccc(OCC(C)C)cc21 478531 SZZFNHJYYAAZNU-HEHNFIMWSA-N 313.401 3.379 50 40 DGGB N#C/C(=C/C=C/c1ccco1)C(=O)Nc1cccc(C(=O)O)c1 408542039 JJEJMRJDJZLUDP-IXZMWWFOSA-N 308.293 3.080 50 40 DGGB CCCC[C@H](CC)COC(=O)/C(C#N)=C/C=C1\OC=CN1C 218731630 OUIJMYJVMYRODU-UOYPVUTQSA-N 304.390 3.471 50 40 DGGB C[C@H](I)C(=O)Nc1cccc(Cl)c1 72226321 VRDBCEVSVIGPMI-LURJTMIESA-N 309.534 3.102 50 40 DGGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccnc2)c1 59473356 KOKHNWLVWCTYBX-VXLYETTFSA-N 313.426 3.082 50 40 DGGB COc1ccc(OC)c(/C=N\NC(=O)c2cccc(Cl)c2)c1 33285121 GAGGKAPJDYMNAH-ZDLGFXPLSA-N 318.760 3.121 50 40 DGGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@H](O)c1ccccc1 4957516 RXKNNFMGBFFSNS-UORDOTQHSA-N 320.392 3.482 50 40 DGGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)C1CC1 34715999 PENSPSVLEYSIHI-SXGWCWSVSA-N 305.428 3.291 50 40 DGGB COc1ccc(/C=C(/C#N)c2cc(OC)c3c(c2)OCO3)cc1 96137279 FWOIUSGFCCEQFD-AUWJEWJLSA-N 309.321 3.497 50 40 DGGB CCCC[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260612945 CBAWJADGSNHWIX-WBMJQRKESA-N 321.440 3.467 50 40 DGGB Cc1cc(C)nc(SCC(=O)NN=C2CCCCCCC2)n1 45295973 XCAMSWOWDSSZKN-UHFFFAOYSA-N 320.462 3.402 50 40 DGGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1 5465105 KSVCBISAMVKWRE-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1O 566742 UHXYIGSNGAAXMD-KEBDBYFISA-N 322.286 3.104 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1cccc(F)c1 59334914 UJAGOEYGSBIXRH-WJDWOHSUSA-N 324.355 3.400 50 40 DGGB CCCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9111014 FDXCSUMSRBZRJW-LBPRGKRZSA-N 317.370 3.077 50 40 DGGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(C)=O)c1C 409011632 OAUTXOIRZOLYLV-GIJQJNRQSA-N 319.792 3.226 50 40 DGGB Cc1cc2c(cc1C)N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 260622355 SXTGUDHBZCKVPI-YOEHRIQHSA-N 317.477 3.410 50 40 DGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccnc1 1444089 BIHAPYOEKBBERR-FYJGNVAPSA-N 319.364 3.397 50 40 DGGB CCOc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O 3573703 CLGOFODPOCRHEY-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4859442 ZXUJOMJFAHRYQC-XFXZXTDPSA-N 312.281 3.325 50 40 DGGB CC(/C=C/c1ccccc1)=N\NC(=O)CSc1ccccn1 4869540 KKIKEMULHBFNQW-XJZNFUNPSA-N 311.410 3.379 50 40 DGGB N#CC1=C(C#N)C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O 1700534 SVVPMPGBRBMXTD-UHFFFAOYSA-N 310.312 3.093 50 40 DGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(O)c1 2163625 LSWLDYSUKXBBPT-CAOOACKPSA-N 309.152 3.463 50 40 DGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O)cc3)cc2c1 409188178 XFGHMNBRRMKZBH-ODLFYWEKSA-N 324.336 3.301 50 40 DGGB Cc1ccc(OCC(=O)N/N=C\C=C\c2ccccc2)c(C)c1 13945552 BNNRYMXTIGAKFF-LRFQPHQISA-N 308.381 3.498 50 40 DGGB Cc1ccccc1CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 14020248 CXYHLEUEYZKDHN-CYBMUJFWSA-N 311.410 3.259 50 40 DGGB Cc1ccc(/N=C(O)/C(C#N)=C/c2cccnc2)c([N+](=O)[O-])c1 4607816 AZMSFQFYABTPKX-MDWZMJQESA-N 308.297 3.493 50 40 DGGB O=C(CCl)N[C@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 79415136 BHFZJTAUMOWFHD-DLBZAZTESA-N 320.864 3.317 50 40 DGGB O=C(CCl)Nc1nnc(SCc2ccccc2F)s1 13608897 CKNYSKFONROJMC-UHFFFAOYSA-N 317.798 3.147 50 40 DGGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)ccc1F 6563375 GNYGWKJUDMPMHD-VIZOYTHASA-N 317.158 3.447 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cn1 123630 DIANRYURWBFZAI-RGVLZGJSSA-N 305.337 3.013 50 40 DGGB C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccnc1 59466 NGQHFFROJROKFO-CNRHGSOZSA-N 319.364 3.152 50 40 DGGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(Cl)cc1 59459678 VQIRELDREQBBFD-LZYBPNLTSA-N 318.789 3.122 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)cc1 4723648 PUWADSLJBBTGKW-GHXNOFRVSA-N 310.284 3.100 50 40 DGGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccccc1F 4721100 WDAXWFIFSQKSBE-NVMNQCDNSA-N 306.724 3.008 50 40 DGGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 142115 VHHHQLIMDHSCRB-UHFFFAOYSA-N 324.167 3.460 50 40 DGGB CCc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cccn2C)cc1 375820 SLMAPHWGTFYIDK-IQGJIOQQSA-N 307.397 3.372 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 502419 BVTHYDVGGHKZAS-LICLKQGHSA-N 309.281 3.105 50 40 DGGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@@H](c2ccco2)N1C 1610059 JMFHAVVDNHWQSQ-HNNXBMFYSA-N 307.353 3.007 50 40 DGGB N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCCCC1 574638 SJVVHRMFQJJUJM-JLHYYAGUSA-N 319.202 3.369 50 40 DGGB O=C(CCc1ccccc1)NNC(=O)Nc1cccc(Cl)c1 6338729 MKEBEHVCYSDGQL-UHFFFAOYSA-N 317.776 3.126 50 40 DGGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 5362350 VTTNWCVPASXSMJ-HWQJWEFDSA-N 302.374 3.457 50 40 DGGB CCC[C@H](C(=O)NN)N1c2ccc(C)cc2C(C)=CC1(C)C 223220408 UZBNCAYKPNHFAQ-MRXNPFEDSA-N 301.434 3.156 50 40 DGGB C/C(=N\NC(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 5288166 LUCBDKUFNCUWNT-QGOAFFKASA-N 311.341 3.068 50 40 DGGB C[C@H](Cl)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4223303 JVZYVWZSCBWRSV-VIFPVBQESA-N 307.806 3.185 50 40 DGGB O=C(CCl)N(Cc1cccs1)c1ccc([N+](=O)[O-])cc1 4902417 MWOJUICCMLYBPF-UHFFFAOYSA-N 310.762 3.428 50 40 DGGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1O 408718844 NYPPCHMWUJVNKD-QCCQCULMSA-N 316.401 3.067 50 40 DGGB BrC[C@@H]1CC(c2ccc(Br)cc2)=NO1 217844779 XROJCYFOVGWWTL-VIFPVBQESA-N 318.996 3.337 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 5214585 VFCWKWQSHORAKU-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc(O)c1 4582696 LSWLDYSUKXBBPT-IUXPMGMMSA-N 309.152 3.463 50 40 DGGB O=C(CCl)N[C@@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 100449388 BHFZJTAUMOWFHD-IAGOWNOFSA-N 320.864 3.317 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1O 408813038 CYLYZNNXNSQXAT-FMIVXFBMSA-N 312.300 3.086 50 40 DGGB COc1ccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 485304 MOSDAVIGGPLGGR-YBFXNURJSA-N 307.353 3.249 50 40 DGGB COc1cc(/C(C#N)=C\c2ccccn2)c([N+](=O)[O-])cc1OC 13282683 NPNGKQVZNIPDKT-XFFZJAGNSA-N 311.297 3.071 50 40 DGGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc2ccccc2c1 19804783 LIWCFZYJRZVOMM-UHFFFAOYSA-N 304.378 3.058 50 40 DGGB Cc1ccc(F)cc1C(=O)[C@H](Br)CBr 306919429 KINOXYYADQTOBW-SECBINFHSA-N 323.987 3.475 50 40 DGGB COCCCNC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl 16790723 MWCSXDZHPHNQGX-XFFZJAGNSA-N 313.184 3.053 50 40 DGGB COc1cccc(F)c1[C@H](C)NC(=O)/C(C#N)=C\c1ccco1 98056022 BRNSHPVDVBAXIS-AWPPVZKDSA-N 314.316 3.212 50 40 DGGB CCOc1ccc(N[C@@H](C)C(=O)N/N=C/c2cccs2)cc1 234897 STZIXQAAMLVDHQ-OOIIIRTPSA-N 317.414 3.098 50 40 DGGB CN(NC(=O)COc1ccc2ccccc2c1)c1ccccc1 8357981 MZOGXTARRBRREU-UHFFFAOYSA-N 306.365 3.386 50 40 DGGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Cl)c1OCC 35213646 GRCRGDYTHXPSBN-BJMVGYQFSA-N 310.806 3.330 50 40 DGGB [C-]#[N+][C@@H](c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 95686563 XTRBMIRETKHRKF-MRXNPFEDSA-N 315.350 3.116 50 40 DGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)cc1C 5740475 XGJJUBHBJQGCEZ-RGVLZGJSSA-N 308.385 3.075 50 40 DGGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccsc1 13151292 YHPJKTUMOAUHDT-CYBMUJFWSA-N 320.377 3.356 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 7009506 IGKZBVVNNFRZEH-SRZZPIQSSA-N 320.396 3.347 50 40 DGGB CCC(=O)Nc1ccc(/C(C)=N/NC(=O)C2CCCCC2)cc1 5524237 VLWUIALDMPLUIF-DEDYPNTBSA-N 315.417 3.456 50 40 DGGB N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(N)=O 17054875 IHOOVMSYRXEALA-NTEUORMPSA-N 319.339 3.221 50 40 DGGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c(F)c1 38488003 GOZNDCZGETWCRW-UHFFFAOYSA-N 314.341 3.425 50 40 DGGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 59502258 GBTHDVBPOARABW-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB CCCOc1ccc(CCC(=O)N/N=C/c2ccco2)cc1 2368124 ZKKJHRBETDTKSI-QGOAFFKASA-N 300.358 3.151 50 40 DGGB N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(N)=O 408875361 DUKQEJSVOVTUAA-RIYZIHGNSA-N 314.747 3.462 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)cn1 4724735 BXDQKWBJRRXQIR-LSCVHKIXSA-N 308.168 3.461 50 40 DGGB CCN(CCC#N)c1ccc(/C=C(\C#N)C(=O)NC(C)C)c(C)c1 6831532 CKKHHDVSOALROB-SFQUDFHCSA-N 324.428 3.167 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)Nc1ccccc1 33328179 ZAHBHBMOSHUYKM-RGEXLXHISA-N 308.385 3.442 50 40 DGGB O=C(CCl)NCCOc1cccc(Oc2ccccc2)c1 5774935 FDMRQGHKVFGPFO-UHFFFAOYSA-N 305.761 3.213 50 40 DGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 260353 UVSXJAVNXAWOTG-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB O=C(CNc1ccc(F)cc1)N/N=C1/CCCc2ccccc21 18157555 COYSPHMSCNNHFZ-FXBPSFAMSA-N 311.360 3.094 50 40 DGGB CCn1c(C)c(/C=N/NC(=O)c2cccnc2)c2ccccc21 10003778 SVTDXSSNNJVPBL-UDWIEESQSA-N 306.369 3.129 50 40 DGGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OC 408801199 SEIRMLFRWPQYBP-QQFZQELXSA-N 314.385 3.082 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-] 20786980 ZQEPZYPWUXYTBT-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB N#CC1=C(N)Oc2onc(-c3ccccc3)c2[C@H]1c1ccco1 6530243 IFCAFSIKTUKKAY-CYBMUJFWSA-N 305.293 3.153 50 40 DGGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(N2CCCC2)cc1 408676713 MQOIADWOGURDCE-DEDYPNTBSA-N 311.360 3.190 50 40 DGGB Cc1c(C(=O)NN)c2ccccc2n1Cc1ccccc1Cl 216946422 ZEWANKVVUVFBGU-UHFFFAOYSA-N 313.788 3.255 50 40 DGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2Cl)c1 581661 JSADLKMQRINEFS-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccccc1 7164024 XQDORWUSTKLDJZ-LFIBNONCSA-N 305.381 3.280 50 40 DGGB COc1cccc(/C=N\NC(=O)c2ccccc2-n2cccc2)c1 29763952 JJKMCIBFGARHQB-ZHZULCJRSA-N 319.364 3.250 50 40 DGGB CC#C[P@](=O)(OC)[C@](O)(CBr)c1ccccc1 547396 JHIVYXJFSCQGNP-PXAZEXFGSA-N 317.119 3.132 50 40 DGGB Cc1noc(C)c1CN(C)c1ccc(/C=C/C#N)cc1[N+](=O)[O-] 69703523 ALADGADGAUIIMC-SNAWJCMRSA-N 312.329 3.373 50 40 DGGB COc1ccc(C(=O)N/N=C/c2cccc3ccccc23)c(O)c1 409390432 DAJVAFDCIGXGHT-UDWIEESQSA-N 320.348 3.318 50 40 DGGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NC1CCCCCC1 331501 UMHKFJPESDTJHP-NTEUORMPSA-N 312.369 3.161 50 40 DGGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccccc1 5221751 COJPCJLSJHNRGL-LDADJPATSA-N 302.761 3.259 50 40 DGGB COc1cc2c(cc1OC)C1(CCCC1)CN(C(=O)CCl)C2 5008193 DJOXYDIBWBPKGF-UHFFFAOYSA-N 323.820 3.097 50 40 DGGB CCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccccc1 148308 VMFHPQBQOIOSIQ-FOWTUZBSSA-N 313.378 3.424 50 40 DGGB CCN(CC(=O)N/N=C/C=C/c1ccccc1)c1ccccc1 2190094 INUPETYTRWDUNY-NSWHACQGSA-N 307.397 3.328 50 40 DGGB CC(=O)[C@H]1SC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1 22022894 NKZIEKKGKDQXCB-VXGBXAGGSA-N 313.209 3.475 50 40 DGGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1O 42645487 DHTAKQMEGXEGDJ-UDWIEESQSA-N 320.348 3.318 50 40 DGGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 2777384 VYFTXLWDJCHZGR-DHZHZOJOSA-N 312.350 3.300 50 40 DGGB N#C/C(=C\c1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 4322232 YJWQPYBRFYRETP-RVDMUPIBSA-N 311.348 3.390 50 40 DGGB COc1ccccc1OCC(=O)N/N=C1/C[C@@H](C)CC(C)(C)C1 8240530 NJWJLDALIHWMQI-ZDKYXOAUSA-N 318.417 3.392 50 40 DGGB N#C/C(=C/c1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 96931652 KTNXCHFMPLCNAA-WQLSENKSSA-N 320.381 3.323 50 40 DGGB COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1ccccc1 20247884 RODWZGAFDDEZTF-HTMJNSLASA-N 314.410 3.326 50 40 DGGB Cc1cc(F)cc(C(=O)[C@@H](Br)CBr)c1 307038134 HHTMRLPGLWJMSD-VIFPVBQESA-N 323.987 3.475 50 40 DGGB Cc1ccc(S(=O)(=O)n2cc(/C=C/C#N)c(/C=C/C#N)c2)cc1 1629038 KVVBLFSWIGOMAK-ZUVMSYQZSA-N 323.377 3.107 50 40 DGGB C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(O)cc3)cc2C1 3389199 XQWQMDGFMZYXCV-HPAYWCODSA-N 314.410 3.342 50 40 DGGB Cc1c(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)oc2ccccc12 17146303 UTNSXCSJNBDBKQ-UHFFFAOYSA-N 323.308 3.413 50 40 DGGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 17146283 VSPXKWKZGVYMEC-LICLKQGHSA-N 317.732 3.402 50 40 DGGB O=C(COc1ccccc1)N/N=C\c1cccc2ccccc12 33302054 MIVNWRADYAJNCE-MOSHPQCFSA-N 304.349 3.369 50 40 DGGB CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2cccs2)cc1 569199 DUZORFWGSVFQCM-JXMROGBWSA-N 314.410 3.346 50 40 DGGB O=C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1 5337171 RRNBUBSYJWJGJO-PKNBQFBNSA-N 309.281 3.388 50 40 DGGB O=[N+]([O-])c1ccc(OCCOCCBr)c(Cl)c1 1750755 DZIBIMYQOCCZLA-UHFFFAOYSA-N 324.558 3.039 50 40 DGGB CC(C)=C[C@@H]1[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C 53754604 WFHCBPAIAYBUPW-BXUZGUMPSA-N 303.362 3.276 50 40 DGGB CCCSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1 8994155 UOSRQYDOCFSYBJ-LBPRGKRZSA-N 302.399 3.177 50 40 DGGB O=C(CCl)N1CCC[C@H](CN(Cc2ccccc2)C2CC2)C1 79415119 CKNXQFBCRRGXFS-INIZCTEOSA-N 320.864 3.128 50 40 DGGB N#C/C(=C/c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 194026722 SZVDLEOLINLRNV-ATVHPVEESA-N 315.376 3.434 50 40 DGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Cl)cc2)c1 581653 OOKKJRNEGMGNGM-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1O 59373 YFUKNQZWSBQEAO-VCHYOVAHSA-N 314.410 3.084 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[C@]12C=C[C@@H](CC1)C2 104941183 YFOKAEBVDIPRDR-WQFAYQGZSA-N 310.397 3.326 50 40 DGGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NC(C)C)cc1OC 3570640 ULRNUTQODGDZOO-WUXMJOGZSA-N 322.792 3.179 50 40 DGGB N#CC1=C(N)S[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 4634856 ZHQGVQNRKHDCLP-NVXWUHKLSA-N 306.390 3.462 50 40 DGGB O=C(CCC1CCCCC1)NNC(=S)Nc1ccccc1 6644181 KLQPCHPVLZEXPW-UHFFFAOYSA-N 305.447 3.365 50 40 DGGB CC/C(=N\NC(=O)c1ccccc1F)c1ccc(OC)cc1 5914699 COOPZBRWAZURSQ-KNTRCKAVSA-N 300.333 3.378 50 40 DGGB Br[C@@H]1CC[C@@H]2N=C(N/N=C/c3ccccc3)S[C@@H]21 257346757 DFGPUHCURMBYPL-ZMKIANRVSA-N 324.247 3.007 50 40 DGGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccccc1O 18136916 BZMWWUAKAAKPDK-UDWIEESQSA-N 320.348 3.405 50 40 DGGB COc1ccc(-c2csc([C@@H](C#N)C(=O)CCl)n2)cc1 13655191 OXBXYCXHOUKDMY-NSHDSACASA-N 306.774 3.234 50 40 DGGB CCCC(O)(CCC)C(=O)N/N=C(\C)c1ccc(OCC)cc1 4857829 UDABMVLYMJCFJE-XMHGGMMESA-N 320.433 3.257 50 40 DGGB COc1ccc(/C(C#N)=C/c2ccc(OC)c(C(=O)O)c2)cc1 408580575 COKQFYAMYMZSFZ-NTEUORMPSA-N 309.321 3.466 50 40 DGGB CC(C)N1c2ccc(/C=N/NC(N)=O)cc2[C@@H](C)CC1(C)C 223542463 VXMLDINVINXPQC-NJDFMEINSA-N 302.422 3.189 50 40 DGGB COc1cccc(C(=O)NNc2nc3c(F)cccc3s2)c1 429761 XPPJUZXCBLWQPP-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 16661686 WLAPMKSBBSPJNW-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB O=C(N/N=C/c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 3909358 QDOFEZHEZYHOQE-RGVLZGJSSA-N 300.377 3.492 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(C)c(C)c2)cc1 369410 FMIZVDKDYMYUBT-HMMYKYKNSA-N 310.397 3.395 50 40 DGGB CC(=O)[C@@H]1SC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1 22022893 NKZIEKKGKDQXCB-NEPJUHHUSA-N 313.209 3.475 50 40 DGGB CC(=O)[C@@H]1SC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1 22022891 NKZIEKKGKDQXCB-RYUDHWBXSA-N 313.209 3.475 50 40 DGGB O=C(CNC1CCCCC1)N/N=C/c1cccc2ccccc12 409378170 NAQIAUAYNZXBAE-FYJGNVAPSA-N 309.413 3.212 50 40 DGGB COc1ccc(SCC(=O)N/N=C\c2cccc(C)c2)cc1 30814012 RCXXCIIZEKUATM-WQRHYEAKSA-N 314.410 3.246 50 40 DGGB O=[N+]([O-])c1cc(CBr)ccc1CBr 4293622 CYCSBLUWGPWMDU-UHFFFAOYSA-N 308.957 3.385 50 40 DGGB biogenic N#C/C(=C/c1ccccc1Br)C(=O)NC1CCCC1 48405220 UFYCCCKPSDFUFL-XFXZXTDPSA-N 319.202 3.415 50 40 DGGB Cc1ccc[n+](/C(C(C#N)=C(C#N)C#N)=C(\O)c2ccccc2)c1 138096420 VEDVOVKJCKQJHY-HNENSFHCSA-O 313.340 3.034 50 40 DGGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccco1 131634 JCUKXACQHMVKGJ-KZKLBEMASA-N 307.353 3.384 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc1C 2753842 KCVHINSAJXJAOA-KEBDBYFISA-N 320.348 3.174 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1Cl 4574959 KGXPFXJKEYPQNK-GIJQJNRQSA-N 316.744 3.111 50 40 DGGB O=C(CBr)c1cc([N+](=O)[O-])c(Cl)cc1Cl 72434066 PZWQDIZZQPMEFK-UHFFFAOYSA-N 312.934 3.479 50 40 DGGB O[C@@H](Br)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 1754500 BYWSKVCDDGAREW-VVDCQGDTSA-N 310.235 3.458 50 40 DGGB N#C/C(=C\c1ccc(N2CCCC2)o1)C(=O)Nc1ccccc1 563857 WOWMDKCIDXPORI-WYMLVPIESA-N 307.353 3.425 50 40 DGGB COc1cccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OC 107790572 FVVXYXLCMYNVCZ-GDNBJRDFSA-N 309.321 3.466 50 40 DGGB C/C(Cc1ccccc1)=N\NC(=O)c1ccc(Br)o1 5381891 YZGBLSDZNYIRDN-MHWRWJLKSA-N 321.174 3.391 50 40 DGGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1 4673021 GOSHPSHFMZWOBT-YBFXNURJSA-N 320.751 3.398 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)Nc1ccccc1 563989 ZAHBHBMOSHUYKM-XMHGGMMESA-N 308.385 3.442 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1O 106068573 NYPPCHMWUJVNKD-DSCXRQQCSA-N 316.401 3.067 50 40 DGGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC 3616403 MEAMKNMDLQJOBY-SDNWHVSQSA-N 308.337 3.249 50 40 DGGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1ccc2c(c1)OCO2 44028784 OLIACMWEVBBSQU-CHHVJCJISA-N 302.289 3.077 50 40 DGGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 5945797 UVSXJAVNXAWOTG-SXGWCWSVSA-N 303.705 3.012 50 40 DGGB COc1cc(C(=O)N/N=C/c2cccc3ccccc23)ccc1O 1573528 DFVFXMJTCAPQTN-UDWIEESQSA-N 320.348 3.318 50 40 DGGB C[N+](C)(C[C@H](Br)CBr)c1ccccc1 28139 XOICMUILGTZKGB-SNVBAGLBSA-N 322.064 3.412 50 40 DGGB O=[N+]([O-])[C@H](Br)[C@@H](Br)c1ccccc1 1733924 DNKILUKMZPEIEV-YUMQZZPRSA-N 308.957 3.120 50 40 DGGB Cc1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1 57675624 YZRNKDPGTHTTHP-UHFFFAOYSA-N 321.424 3.377 50 40 DGGB CCOc1cc(C=O)ccc1OC(=O)/C(C#N)=C/c1ccccc1 408753393 PDPDGTOKTBPMPZ-MHWRWJLKSA-N 321.332 3.410 50 40 DGGB CC(C)N(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)CCl 79393743 YPFWTMLWQAOOOO-QGZVFWFLSA-N 322.880 3.374 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OC 16411088 SUGGIGZPHCQOIO-SDNWHVSQSA-N 308.337 3.249 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccc(Br)cc2)c(C)o1 228319 XHDKSBVKAPLTSI-LZYBPNLTSA-N 321.174 3.423 50 40 DGGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C2/CCSC2)cc1 96698172 GPGRJSGHWWHRMT-SDXDJHTJSA-N 313.426 3.317 50 40 DGGB CCO[Si]1(C)C[Si](C)(OCC)C[Si](C)(OCC)C1 198525438 MQEFJQBNYDQNSM-UHFFFAOYSA-N 306.627 3.453 50 40 DGGB C/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 6780370 GARWOZBZFVZJHP-NDENLUEZSA-N 322.343 3.370 50 40 DGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1Cl 580205 KHALSYGCGAREOP-VXLYETTFSA-N 316.788 3.486 50 40 DGGB BrCCN(CCBr)c1ccccc1 1557966 LTZFEVFXIMXNRW-UHFFFAOYSA-N 307.029 3.283 50 40 DGGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1cccs1 917674 DWLDCQPXAXKLED-UHFFFAOYSA-N 310.334 3.406 50 40 DGGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1CC[C@H]2C1(c1ccccc1)c1ccccc1 104068232 SGBJVGLIDBZHFR-XMTFNYHQSA-N 318.372 3.328 50 40 DGGB N#CC1=C(Nc2ccccc2)S[C@@H](c2cccs2)NC1=O 5487877 DFILSZJEVPPJEA-HNNXBMFYSA-N 313.407 3.457 50 40 DGGB CC1=C(C#N)C(c2ccc(N(C)CCC#N)cc2)C(C#N)=C(C)N1 19419657 RAONZLWDRLIKKM-UHFFFAOYSA-N 317.396 3.318 50 40 DGGB CCOC(=O)/C(C#N)=C1/Nc2ccccc2[C@@H](c2ccccc2)N1 6242105 PLJFSALUCCMRKH-KCGBVJQISA-N 319.364 3.089 50 40 DGGB CC(C)(C)OC(=O)N1CC(OCCCCCBr)C1 66309172 FQOPKKIVAHQFPF-UHFFFAOYSA-N 322.243 3.188 50 40 DGGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1 32109247 POTCWKXLEUUCSD-OTWJJXBCSA-N 302.761 3.258 50 40 DGGB C[C@H]1CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(Cl)cc21 223208297 GXWXJKFDXPTGNX-JTQLQIEISA-N 309.841 3.201 50 40 DGGB COc1cccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 5381610 ONZVLLJDILZDAB-WLWPOCPESA-N 308.381 3.339 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-])c1ccccc1 59133194 WLJMAPFFVLXPOG-YYTPVVGHSA-N 321.336 3.379 50 40 DGGB N#C/C(=C/c1cnc(N2CCCC2)nc1)c1nc2ccccc2[nH]1 44013491 HDEKWCJXAAMHFS-ZROIWOOFSA-N 316.368 3.017 50 40 DGGB N#CCC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1 15934117 LGKPJZFVLDXRFJ-OQTFOHMESA-N 319.364 3.143 50 40 DGGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)o1)C(N)=O 408987107 AIJJJRPSGZOWKV-FMIVXFBMSA-N 321.361 3.371 50 40 DGGB COC(=O)c1cc(C(F)(F)F)c(CBr)cc1C#N 575342720 ZNVCDBRMAHJBHM-UHFFFAOYSA-N 322.080 3.259 50 40 DGGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cnccn1 55355793 RMWMNAOTMWGMHZ-CIAFOILYSA-N 312.417 3.189 50 40 DGGB C/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)o1 408954240 NFODLIQOQMARIJ-PDGQHHTCSA-N 320.776 3.469 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1O 33367085 XVGMPGFXALRMAL-ATTDUZETSA-N 322.364 3.185 50 40 DGGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 5765890 IHJKCKLAOMJQGK-KAMYIIQDSA-N 321.311 3.274 50 40 DGGB CCOC(=O)c1c(NC(=O)CCCCl)sc(C)c1C 2755451 MDHHRSMAPJAYST-UHFFFAOYSA-N 303.811 3.499 50 40 DGGB Cc1cccc(NCC(=O)N/N=C/c2cn(C)c3ccccc23)c1 548877 COKRPXMHEZDABK-SRZZPIQSSA-N 320.396 3.049 50 40 DGGB O=C(N/N=C/c1ccco1)c1cccc(N/N=C/c2ccco2)c1 20785271 ZHYAWGXZTBWEHV-GDAWTGGTSA-N 322.324 3.083 50 40 DGGB N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1cccc(O)c1 79491825 KNPPBRCFJYWRNP-INIZCTEOSA-N 303.321 3.092 50 40 DGGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccco1 320366 BAWTYYUTWLWQNI-LZYBPNLTSA-N 308.790 3.317 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)c1 568811 IMRHCKKXDJXILS-UHFFFAOYSA-N 323.179 3.377 50 40 DGGB C#CCOc1cccc(/C=C(/C#N)c2ccc3c(c2)OCO3)c1 409365410 QRDBSVCWBPFCBW-SXGWCWSVSA-N 303.317 3.491 50 40 DGGB NNC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 370154 YUALOCRORXSYKD-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB Cc1cccc(C(=O)N(NC(=O)OC(C)(C)C)[C@@H](C)C2CC2)n1 96012118 RXVPOXWGZPGHGU-LBPRGKRZSA-N 319.405 3.070 50 40 DGGB Cn1cc(C/C=N/NC(=O)Cc2ccccc2)c2ccccc21 5337993 FBZYLZZCPRHDTH-UDWIEESQSA-N 305.381 3.066 50 40 DGGB O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 4863573 VYRRQHPFXXXZJD-UHFFFAOYSA-N 306.709 3.397 50 40 DGGB O=C(OCCCl)Oc1cc2sc(=O)oc2cc1Cl 3087968 YTFSVDYRCMBGSH-UHFFFAOYSA-N 309.126 3.262 50 40 DGGB COc1ccccc1C(=O)NNc1nc2c(F)cccc2s1 4121346 OSJWRJLBDLDMAH-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(Cl)c2)c1 6685709 WDSGILVUMSTEPL-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccccc1F 53347292 NBMPONOOBLRWIE-GDNBJRDFSA-N 311.360 3.228 50 40 DGGB Cl[C@@H](c1ccccc1)C1(Br)C=c2ccccc2=C1 1745164 LISLRFGSLUXKHB-HNNXBMFYSA-N 319.629 3.375 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1C[C@H]2CC[C@H]1C2 105407037 ANRXFLOWYGRAPO-YQCHFAAASA-N 315.373 3.445 50 40 DGGB Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1 44028454 ILNYZPSASWJQLA-WDZFZDKYSA-N 314.322 3.460 50 40 DGGB O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1F 4602381 ONAUHXUIJYFJFZ-UHFFFAOYSA-N 323.780 3.111 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccccc2Cl)c(OC)c1 33856548 BTMCWYRKCWGCBP-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccco1 320360 DSAQNDOSKYFHMB-LZYBPNLTSA-N 308.790 3.317 50 40 DGGB Cc1ccc(S(=O)(=O)n2cc(/C=C\C#N)c(/C=C\C#N)c2)cc1 17212701 KVVBLFSWIGOMAK-JVLMNHKTSA-N 323.377 3.107 50 40 DGGB NNC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 226333247 PJUDONBTRXCMBR-SOFGYWHQSA-N 320.751 3.061 50 40 DGGB Cc1ccccc1C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 9201322 VGTFWTFNAKUOFC-QGMBQPNBSA-N 316.744 3.141 50 40 DGGB CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCCC1=O 3270891 OWNJTNDBCTYHKG-OAHLLOKOSA-N 314.212 3.376 50 40 DGGB CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 9089095 SUAKWCHQNYJWGV-JTQLQIEISA-N 323.215 3.151 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc[nH]1 4954005 XQJCBSQYXUTYSZ-DWTJURIWSA-N 301.415 3.355 50 40 DGGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2)cc1Cl 408591159 RSFADNMOTIYRSE-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB C[C@]12C(=O)C[C@H](C[C@@H]1Br)[C@]2(C)CBr 2570457 SPFMPLHTTYXRFI-ZRUAGYDASA-N 310.029 3.150 50 40 DGGB N#C/C(=C\c1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 53102704 CHSVLWAMKFJSFC-IZZDOVSWSA-N 315.358 3.038 50 40 DGGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccncc1 59473624 ZJRWTIWKRVSQOC-HPAYWCODSA-N 319.817 3.366 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)cc1 59333737 CCVWDCZCLRKXHU-YBEGLDIGSA-N 324.355 3.400 50 40 DGGB N#C/C(=C(/S)Nc1ccccc1)c1nnc2n1CCCCC2 5447037 NODBRMYLSKUVMV-SSZFMOIBSA-N 311.414 3.239 50 40 DGGB CC(C)NC(=S)P(=O)(c1ccccc1)c1ccccc1 159202 MMNBISTVKMTTQI-UHFFFAOYSA-N 303.367 3.283 50 40 DGGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(F)cc1 262886 RQDSWHAAOVRPAM-RGVLZGJSSA-N 308.312 3.448 50 40 DGGB CC(C)OC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1 40161161 QVMUJWJWTKBMIF-YHYXMXQVSA-N 310.147 3.013 50 40 DGGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccoc1 8748227 VOZSBXZMWUNREI-ZDUSSCGKSA-N 322.345 3.073 50 40 DGGB COc1cccc(/C(C)=N\NC(=O)Cn2ccc3ccccc32)c1 4676438 MEIBQIAFPJTNRD-ZHZULCJRSA-N 321.380 3.190 50 40 DGGB C/C(=N\NC(=O)COc1c(C)cccc1C)c1cccs1 4587396 AZLYNEJPGMZDEI-GHRIWEEISA-N 302.399 3.284 50 40 DGGB CC/C(C)=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C 4699353 URNCMNSRXWPMCS-VCHYOVAHSA-N 309.797 3.269 50 40 DGGB Br[C@@H]1CC[C@H]2N=C(N/N=C/c3ccccc3)S[C@H]12 257346756 DFGPUHCURMBYPL-AISUPKNMSA-N 324.247 3.007 50 40 DGGB O=C(NNC(=O)c1cccc2ccccc12)c1cccc(F)c1 1569433 NYOWWVYPVOXJGZ-UHFFFAOYSA-N 308.312 3.054 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)cc1 140321 FDGHBWONLHJEJG-LFIBNONCSA-N 320.348 3.443 50 40 DGGB Cc1oc(/C=N/NC(=O)c2ccccc2)cc1Br 16249880 NLYUAJKFPSBJEF-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1 242704 IHIVATLPKMLSFQ-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 6674806 HGCCUILMQBBXTD-OVCLIPMQSA-N 313.741 3.497 50 40 DGGB C[C@H](Cl)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 95864430 KLGANGXKPWDSKS-QMMMGPOBSA-N 308.790 3.080 50 40 DGGB CC(C)N(Cc1ccccc1)C[C@H]1CCCN(C(=O)CCl)C1 79415033 YBMUYMRLLHVPRB-KRWDZBQOSA-N 322.880 3.374 50 40 DGGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 8081970 GEEVTSFNVGQORK-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB Cc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 5618263 WQCKQRAGIYUUTD-NFZPIQDPSA-N 301.346 3.055 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1 5661605 WARVKFNMSSOWCN-LCYFTJDESA-N 323.308 3.149 50 40 DGGB O=C(N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)C(Cl)Cl 1665681 JLWGYRMOTWHVRD-KBPBESRZSA-N 324.207 3.381 50 40 DGGB Cn1nccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 58414356 SJFWNTLBXQUBQU-UHFFFAOYSA-N 319.579 3.137 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1O 5069540 SSEXOAKWLMWRSD-KTAQLRSZSA-N 314.385 3.003 50 40 DGGB CCN(Cc1ccccc1)C1CCC(NC(=O)CCl)CC1 79414943 ZWUKEVFSFIVNSI-UHFFFAOYSA-N 308.853 3.175 50 40 DGGB CCCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 2702679 KFNRKWIIKYGXGW-XSFVSMFZSA-N 311.385 3.415 50 40 DGGB CCOc1ccc(N[C@H](C)C(=O)NN=C2CCCCC2)cc1 369992 OMMZXGGQVCAWDQ-CYBMUJFWSA-N 303.406 3.322 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2C#Cc1ccccc1 2497083 PDGWLXMAHRVODU-CQSZACIVSA-N 318.376 3.022 50 40 DGGB N#C/C(=C\c1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 171643 DLKUJYXMAYIROG-RMKNXTFCSA-N 317.688 3.387 50 40 DGGB N/C(c1ccc(Cl)cc1)=[N+](/[O-])C(=O)c1ccccc1CCl 4277464 WGXNMVFBYKQNAN-XMHGGMMESA-N 323.179 3.135 50 40 DGGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 150964 YADZNPUZZUEAOK-GZTJUZNOSA-N 313.378 3.342 50 40 DGGB O=[N+]([O-])[C@@H](Br)[C@H](Br)c1ccccc1 1733923 DNKILUKMZPEIEV-HTQZYQBOSA-N 308.957 3.120 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2csc3c2CCCC3)cc1 568147 WXYHRQHPFSDICS-UHFFFAOYSA-N 314.410 3.010 50 40 DGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(O)cc1 3205079 MMVSFEMFEXOMSF-UDWIEESQSA-N 320.348 3.318 50 40 DGGB O=C(N/N=C/c1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 59447289 DXPLXYWYZLASAB-CAOOACKPSA-N 321.695 3.151 50 40 DGGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)NCc1ccccc1 67005868 JALSFDZKYUXQET-ZSOIEALJSA-N 312.756 3.269 50 40 DGGB COc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)c(OC)c1 409365787 SAYHJCNIEDNUPA-AUWJEWJLSA-N 309.321 3.497 50 40 DGGB Cc1ccc(C)c(CC(=O)N/N=C/c2cn(C)c3ccccc23)c1 409359729 BUOUNYWGCLFJOW-CIAFOILYSA-N 319.408 3.488 50 40 DGGB CC(C)c1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216950511 WEAIERSMMRXFOL-UHFFFAOYSA-N 321.380 3.057 50 40 DGGB O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1ccccc1Br 370387 ULIQFSGKYRMOLZ-ZEUHAHAJSA-N 307.191 3.355 50 40 DGGB COCCCNC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 2682458 FJZKSNQDDQONSD-NTCAYCPXSA-N 300.402 3.044 50 40 DGGB Cc1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Nc2ccccc23)o1 492340 VJFUJFKTMSTUPR-INIZCTEOSA-N 315.336 3.046 50 40 DGGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)C(C)(C)C 4703685 CLIMBWRWFSUCMM-UDWIEESQSA-N 323.396 3.338 50 40 DGGB Cc1nccn1CCNC(=O)CCCC[C@@H]1CCSS1 52191716 OXOSXQDSMOYYOG-CYBMUJFWSA-N 313.492 3.022 50 40 DGGB biogenic CC(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 566196 PYLPVWRUXDDFRC-SRZZPIQSSA-N 316.364 3.031 50 40 DGGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(O)c1 409100808 WVVDWWHWOLXXHV-ZDLGFXPLSA-N 318.760 3.208 50 40 DGGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 43776669 UEXNWVKVHQHRII-YBFXNURJSA-N 313.744 3.006 50 40 DGGB BrCCOc1ccc(O[C@H]2CCCCO2)cc1 952958953 HSNCOWSCMNYIQT-ZDUSSCGKSA-N 301.180 3.366 50 40 DGGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccncc1 132001 QBQDXZKSXSOXEE-CNRHGSOZSA-N 318.380 3.186 50 40 DGGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1 14150862 WKPCXTXAMHGAFK-JXAWBTAJSA-N 318.376 3.313 50 40 DGGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc(F)cc1 5344024 BJXISBVKZPTWFZ-CPNJWEJPSA-N 300.333 3.053 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 588198 RWYONANQXAQLNK-VCHYOVAHSA-N 322.324 3.148 50 40 DGGB N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 13122545 PKSICNCDUOITAL-OAHLLOKOSA-N 321.771 3.398 50 40 DGGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(N)=S 408544750 XMOJGYXBGKXEGA-NTCAYCPXSA-N 324.405 3.337 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1 408875744 KNBDXYQLRJCOND-CRLHROQWSA-N 317.433 3.402 50 40 DGGB CO/N=C1\C(C)(C)C(C)(C)C(C)(C)[C@@]1(C)SS(=O)(=O)O 17005419 HUMCGGJCMKJQLW-FYQHACEVSA-N 323.480 3.376 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1C(C)(C)C 6761887 CKYOKFLVJQVEEH-RGVLZGJSSA-N 311.385 3.152 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)c1 103313399 SJRYXBTVTUPNSS-HVAXUPDISA-N 312.413 3.468 50 40 DGGB Cc1ccc(OCc2nc(/C=C(/C#N)C(=O)O)cs2)cc1 63453939 MFNNDHKEFOTJIC-WDZFZDKYSA-N 300.339 3.022 50 40 DGGB Cc1ccc(O)c(/C=N/NC(=O)CSCc2ccccc2)c1 12346221 SZOVYLBPLSZAIG-VCHYOVAHSA-N 314.410 3.084 50 40 DGGB Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CCl)[C@@H]3CCC1 12437199 FKJAKGFIQJNVFO-SUMWQHHRSA-N 318.848 3.242 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2C)c(O)c1 409393549 YHJBXRLHEFBORS-CPNJWEJPSA-N 312.369 3.172 50 40 DGGB COc1cccc2sc(NNC(=O)c3ccccc3F)nc12 4121322 CFRPIJRYNQDXEY-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB O=C(COc1ccc(F)cc1)N/N=C/c1ccccc1Cl 58819 VFIQPLHIWZUPAO-GIJQJNRQSA-N 306.724 3.008 50 40 DGGB O=C(CCCCl)Nc1ccc(I)cc1 2737320 QUNUYAQWWMXBFR-UHFFFAOYSA-N 323.561 3.249 50 40 DGGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccco1 13524331 PWOXFVBSMQPOKS-LICLKQGHSA-N 315.354 3.053 50 40 DGGB Cc1cccc(NCC(=O)N/N=C\c2ccccc2Cl)c1 36489944 FVMCYBDEIZBDQL-GRSHGNNSSA-N 301.777 3.211 50 40 DGGB Cc1ccc(SCC(=O)N/N=C/c2ccccc2F)cc1 8515609 QBGXQTMPDBWMBM-VCHYOVAHSA-N 302.374 3.377 50 40 DGGB CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Cl)cc1 4631367 PFWYQNNBIASTKL-WQLSENKSSA-N 314.776 3.163 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc12 409202128 ZYDWYWOCJJEXMJ-SDNWHVSQSA-N 306.365 3.424 50 40 DGGB CN(C)C(=S)SS(=O)(=O)c1cccc2ccccc12 5674756 TZDUYKABOCEWLU-UHFFFAOYSA-N 311.453 3.108 50 40 DGGB CC(C)(C)C1CCC(C(=O)NNC(=O)c2ccccc2O)CC1 17574038 LRWMEAOVVBTYMW-UHFFFAOYSA-N 318.417 3.006 50 40 DGGB O=C(N/N=C/c1cccs1)c1cc(Cl)nc(Cl)c1 159147 KNAUFGFNCCUJMU-MKMNVTDBSA-N 300.170 3.214 50 40 DGGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 2743368 YRAGZLWPDHHORX-XNTDXEJSSA-N 301.349 3.391 50 40 DGGB NC(=O)N/N=C/c1ccc(-c2ccc(SC(F)F)cc2)o1 536294 BFONBVIBDKDSJW-REZTVBANSA-N 311.313 3.264 50 40 DGGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 13736721 YNVHYIMGLNDKBP-VBKFSLOCSA-N 323.396 3.349 50 40 DGGB Cc1nn(-c2ccccc2)c(C)c1[P@](C)(=O)c1ccccc1 3215027 QTLRRKIRNUUDOK-JOCHJYFZSA-N 310.337 3.433 50 40 DGGB CCC[C@@H](Br)C(=O)Oc1ccc([N+](=O)[O-])cc1 5561005 OZADYGHUEWVITI-SNVBAGLBSA-N 302.124 3.064 50 40 DGGB Cc1ccsc1/C=N\NC(=O)COc1cccc(Cl)c1 206597199 ZMNRXSNHSYGAJD-PXNMLYILSA-N 308.790 3.239 50 40 DGGB COc1cc(OC)cc(C(=O)CCCCBr)c1 575358138 DNDVTGXSEGZWNW-UHFFFAOYSA-N 301.180 3.452 50 40 DGGB CC/C(=N\NC(=O)c1ccc(N)cc1)c1cccc(Cl)c1 20928720 JZTJCAZOPSCPNM-XDJHFCHBSA-N 301.777 3.466 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@@H](c2ccccc2)C1(C#N)C#N 5819257 PLHRKJLUDYEQLW-RHSMWYFYSA-N 300.365 3.280 50 40 DGGB Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3)o1)C(C#N)=C(N)O2 9110665 LRKQBNPFDGXOQD-MRXNPFEDSA-N 318.336 3.196 50 40 DGGB N#CC1=CN(c2ccccc2)c2cccc(F)c2S1(=O)=O 38654576 GYFLROZQIQBBHO-UHFFFAOYSA-N 300.314 3.116 50 40 DGGB CCn1cc(/C=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 40570799 VEOFCFSZELUYTB-UDWIEESQSA-N 321.380 3.434 50 40 DGGB NC(c1ccc(Cl)cc1)=[N+]([O-])C(=O)c1cccc(CCl)c1 1083147398 VPEXXCJHWCXJMF-UHFFFAOYSA-N 323.179 3.135 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1OC 5475804 HBYBVNAYCRUZPN-XDHOZWIPSA-N 312.369 3.166 50 40 DGGB C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846188 LHEYJDCQPCQGCJ-SFHVURJKSA-N 319.364 3.052 50 40 DGGB CS(=O)(=O)O[C@@H](CCl)c1ccc(Cl)cc1Cl 299754569 RLMONYZNSJOXOH-VIFPVBQESA-N 303.594 3.250 50 40 DGGB O=C(CBr)c1c(F)cc(Br)cc1F 84192547 JTJBHXJAWJJMLP-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(C#N)cc1 33045 KGMMAPMPBILQSL-PVGUKEHMSA-N 323.421 3.330 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)c2cccnc2)cc1C(C)C 59166240 WAYSQIGLLKAAHG-RGVLZGJSSA-N 311.385 3.286 50 40 DGGB Cc1cc(C(=O)CCl)c(C)n1C[C@@H]1COc2ccccc2O1 3289484 GSFHOSYSNDVKNB-CYBMUJFWSA-N 319.788 3.366 50 40 DGGB CC(C)c1[nH]nc2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 5633504 PLVZYCLWGSCGAH-LBPRGKRZSA-N 314.776 3.405 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(Cl)c1 9190578 GUKUEVIGCZRVAM-GIJQJNRQSA-N 316.744 3.111 50 40 DGGB CC(C)(C)OC(=O)N[C@H](CCBr)C1CCOCC1 35633030 PUZPQHGFWSMSNX-LLVKDONJSA-N 322.243 3.091 50 40 DGGB CCCC[C@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223229793 CBAWJADGSNHWIX-BLLLJJGKSA-N 321.440 3.467 50 40 DGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccncc2)cc1 1319454 BYZBXWGKNFNXBE-MQMKENTISA-N 311.385 3.124 50 40 DGGB CC(C)(C)OC(=O)Oc1ccc(CSS(C)(=O)=O)cc1 2576371 VVQRYFCAUUYJKC-UHFFFAOYSA-N 318.416 3.193 50 40 DGGB in-vitro O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1O 497406 AHNMIMJVEMDAKH-XDHOZWIPSA-N 306.321 3.416 50 40 DGGB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NN(C)C)(C4)C2)C3)cc1 100846207 DWKBNRVGAADAME-JZFKGDSASA-N 312.457 3.426 50 40 DGGB CC(C)O[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 100019278 VBCCRFGEAJEXLD-FPCVCCKLSA-N 324.262 3.448 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1O 4827434 LUQCVWDCGLAQEO-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O 17054884 YVXTZIBVGNMKFW-NTEUORMPSA-N 319.339 3.221 50 40 DGGB Cc1ccc(C)c(CC(=O)N/N=C/c2c[nH]c3ccccc23)c1 409360313 DSXFVCLVOMGZTD-CIAFOILYSA-N 305.381 3.478 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 252509928 YYSJKHILAHTPFJ-XFFZJAGNSA-N 312.281 3.243 50 40 DGGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(C)cc1C 5968006 QYSBEMFKKPAHBT-KGENOOAVSA-N 313.376 3.395 50 40 DGGB CC(C)(C)[C@@H]1CN[P@@](=O)(N(CCCl)CCCl)OC1 1571356 KWAPQEGATJPOMF-MGNBDDOMSA-N 317.197 3.156 50 40 DGGB Cc1c(/C=N/NC(=O)Cc2ccccc2)c2ccccc2n1C 562629 JYOGHMREOYACBL-DEDYPNTBSA-N 305.381 3.180 50 40 DGGB [C-]#[N+][C@H](Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 104899690 JQICRJHRGKSUNP-INIZCTEOSA-N 303.358 3.396 50 40 DGGB Cc1cc(C(=O)NN=C2CCCCCC2)c2c(C)nn(C)c2n1 17052476 HKTDYJLIIBNJBR-UHFFFAOYSA-N 313.405 3.025 50 40 DGGB CCCCCC(=O)NNC(=O)c1cc2c(s1)CCCCC2 24750602 PMFOWMSRUXRGGG-UHFFFAOYSA-N 308.447 3.358 50 40 DGGB O=P(N/N=C/c1ccco1)(c1ccccc1)c1ccccc1 1270037 CVMURIABQLZUNE-NBVRZTHBSA-N 310.293 3.132 50 40 DGGB Cc1cccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)n1 263077 BYZZUCYJDWNDKV-YBFXNURJSA-N 304.353 3.011 50 40 DGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc[nH]1 2743979 KRAQOWSVEUAZNW-JXMROGBWSA-N 301.733 3.222 50 40 DGGB CCCN1CCC(=NNC(=O)c2cc(C)nc3ccccc23)CC1 55082608 JTIFLRCLXZULCE-UHFFFAOYSA-N 324.428 3.135 50 40 DGGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccccc1 59459673 SMEGMHPTIDBUAY-GIJQJNRQSA-N 312.760 3.060 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1O 5576194 WKPANUJCCYJHGD-QZZQKYANSA-N 324.380 3.045 50 40 DGGB CCN(CC)C(=O)/C(C#N)=C\c1cc(Br)cs1 96669626 KZHPFPPYMSDBMR-UITAMQMPSA-N 313.220 3.286 50 40 DGGB N#C/C(=C/c1ccc(O)c(O)c1)C(=O)OC/C=C\c1ccccc1 34131981 XGHYFEJMJXGPGN-MZQOETTPSA-N 321.332 3.261 50 40 DGGB BrCc1cc2c(cc1CBr)OCO2 98042998 NXXCPCONRWLAAE-UHFFFAOYSA-N 307.969 3.205 50 40 DGGB Cc1cc(F)c(C(=O)CBr)cc1Br 169796527 DYMDIESCJFMOBK-UHFFFAOYSA-N 309.960 3.474 50 40 DGGB COC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCCC1 5719923 NGMGASBPUCSALV-CQSZACIVSA-N 315.398 3.224 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC 2582214 DXJQEUHRJMIGTQ-IZZDOVSWSA-N 318.329 3.134 50 40 DGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)o2)cc1 408797361 RKVLUVNKIRZQQZ-ZRDIBKRKSA-N 312.325 3.233 50 40 DGGB O=C(O)c1ccc(Br)c(F)c1CBr 169796678 WJEGMZBAJLBOSC-UHFFFAOYSA-N 311.932 3.181 50 40 DGGB O=C(N/N=C/c1cccs1)c1cccc(Br)c1 252714 XSMJAOCUNDSRCI-RIYZIHGNSA-N 309.188 3.275 50 40 DGGB N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)N1CCCC1 16438243 RMYBTNNJFUOVBZ-YRNVUSSQSA-N 323.165 3.118 50 40 DGGB C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1Cl 4498993 WTFVEGDLXWRJIU-SJWFJVLYSA-N 302.761 3.258 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1 802410 HGIMHDGYQIAWHE-XDHOZWIPSA-N 315.804 3.099 50 40 DGGB O=C(N/N=C/c1ccc2ccccc2c1O)c1ccc(O)cc1 3073229 RPEKZQJEMMAGDG-YBFXNURJSA-N 306.321 3.015 50 40 DGGB C[C@H](Cl)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20132152 WXPGMLJPUUVAJC-VIFPVBQESA-N 309.822 3.462 50 40 DGGB CCOC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 21770982 LYIYGYGSBFTOOX-UHFFFAOYSA-N 324.789 3.459 50 40 DGGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)c1ccsc1 55040697 SASCXXKORHVQBO-NTUHNPAUSA-N 313.334 3.001 50 40 DGGB Cc1ccc(/C=N\NC(=O)CNc2c(C)cccc2C)s1 13285929 SALCAFRBDWLRCW-NVMNQCDNSA-N 301.415 3.236 50 40 DGGB O=C(CSCCc1ccccc1)N/N=C/c1ccc(F)cc1 408727184 OZQWOZDWOZBJDC-XDHOZWIPSA-N 316.401 3.252 50 40 DGGB O=C1c2cc(Br)ccc2CC[C@H]1Br 64219944 DNAUTQZTWADWAH-SECBINFHSA-N 303.981 3.342 50 40 DGGB COc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1 408769710 ZWLFHTAOQFTOMW-JMIUGGIZSA-N 322.286 3.478 50 40 DGGB COc1cc(OC)c(/C=N/NC(=O)c2cccs2)cc1Cl 408592420 YCKGBFYUHHVVJH-LZYBPNLTSA-N 324.789 3.183 50 40 DGGB C/C=C1\C[N@@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 253953202 ZEMNDQUOMWGCAZ-VNNXDSNDSA-O 307.417 3.002 50 40 DGGB biogenic C[C@@H](Br)C(=O)Nc1nnc(C2CCCCC2)s1 13945063 GTQIXYPDCZSFNC-SSDOTTSWSA-N 318.240 3.308 50 40 DGGB CC(C)(/C=N/NC(=O)CSCc1ccccc1)CCC#N 20248839 LAASGKJDJYOXRJ-QGOAFFKASA-N 303.431 3.352 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)c(Cl)c1)c1cc(O)ccc1O 409092811 ZGERFPGFJQOQKL-VCHYOVAHSA-N 318.760 3.214 50 40 DGGB CCc1cccc2c(/C=N/NC(=O)Cc3cccs3)c[nH]c12 8446718 CHYHZWCPZDDWPU-YBFXNURJSA-N 311.410 3.485 50 40 DGGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1cccnc1 233724 WVTCJEAJXCCTSH-CIAFOILYSA-N 301.349 3.097 50 40 DGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C1[C@H]2CCCC[C@@H]12 12428553 HQRKGHHCRAFOST-OOFZRFHQSA-N 321.764 3.135 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(CC)o2)cc1 20197776 KIXFCYUHEDIYEC-LDADJPATSA-N 300.358 3.395 50 40 DGGB CCOc1ccc(CC(=O)N/N=C/c2sccc2C)cc1 15934546 RXGQCYUYVOHSPB-GZTJUZNOSA-N 302.399 3.148 50 40 DGGB O=C(N/N=C\c1cccc(Br)c1)c1ccc(F)cc1 30822053 XXFSQAVHVSMZAM-MFOYZWKCSA-N 321.149 3.352 50 40 DGGB COC(=O)N/N=C/c1ccccc1OCc1ccccc1F 4525952 ZQAMTKRYYGBFLK-VCHYOVAHSA-N 302.305 3.095 50 40 DGGB NNC(=O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 216895999 JWDSCLGZQMZFFX-QPJJXVBHSA-N 320.751 3.061 50 40 DGGB C/C=C1/C[N@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 245380439 ZEMNDQUOMWGCAZ-USEQEBIMSA-O 307.417 3.002 50 40 DGGB CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2ccc(Cl)cc21 260619418 LEDFYIUIFXVLKG-HNNXBMFYSA-N 321.852 3.356 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 16790726 LWUYQMZLGORLET-YDRQLGOLSA-N 321.336 3.379 50 40 DGGB CC(C)(C)c1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1 216922973 LCGULMMQHGZWHM-UHFFFAOYSA-N 308.385 3.131 50 40 DGGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 377700 YSQMMZBSBUQRJZ-QGZVFWFLSA-N 309.344 3.110 50 40 DGGB CCOC(=O)NN(C(=O)OCC)c1c(C)[nH]c2ccccc12 1669380 HTXYZCLEGGXGRL-UHFFFAOYSA-N 305.334 3.100 50 40 DGGB CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C(C#N)=C(S)N1 19816248 KFAJMCXGWZHVBF-CYBMUJFWSA-N 320.439 3.325 50 40 DGGB O=C(CCl)N1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 79415109 RNGZYGVERPLAIJ-QGZVFWFLSA-N 320.864 3.271 50 40 DGGB C/C(=N\NC(=O)c1cn(C)c2ccccc12)c1scnc1C 41700296 JXCKGCAYWWEFSH-WOJGMQOQSA-N 312.398 3.097 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 15224814 STBWOPRBLQVDGC-GDNBJRDFSA-N 319.364 3.335 50 40 DGGB CC1(C)[C@@H]2CC[C@@]1(CBr)C(=O)[C@@H]2Br 4135353 XNGJUGUTYMLWIM-BRDIYROLSA-N 310.029 3.150 50 40 DGGB N#C/C(=C\N=C(/S)C(=N)S)c1nc2ccccc2s1 6576513 ZBKOFYCNNKWNBU-VOTSOKGWSA-N 304.425 3.396 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)CCCNc2ccccc2)cc1 4359027 LASCHHWHQXYXCB-RCCKNPSSSA-N 324.428 3.095 50 40 DGGB COc1ccc(NCC(=O)N/N=C/[C@@H](C)c2ccccc2)cc1 4867485 VZJNICYCWRCXSQ-MQMKENTISA-N 311.385 3.013 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 125331976 RHQXAGJPMWAZRC-WQLSENKSSA-N 304.777 3.314 50 40 DGGB CCc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1 486412 CILFMFHTQQDYIH-YBFXNURJSA-N 316.788 3.432 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1O 16411030 UYJBUPQAUWBGEE-NTEUORMPSA-N 308.337 3.255 50 40 DGGB CC(C)=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 587156 JXWVCAIZWIHCFS-UHFFFAOYSA-N 301.390 3.331 50 40 DGGB CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc2[nH]cnc2c1 8683424 BEJNDDXCDCGQOG-DJIYKLJVSA-N 304.353 3.382 50 40 DGGB [C-]#[N+][C@@H](Cc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 101033505 HQUOYOUCIVWVPH-MRXNPFEDSA-N 303.358 3.396 50 40 DGGB O=C(NNC(=O)C1CCC1)c1sc2ccccc2c1Cl 3285656 AMDNGVSDAMIWOP-UHFFFAOYSA-N 308.790 3.116 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1O 5069351 LGGJBADVNCBQLX-NTEUORMPSA-N 308.337 3.255 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)c(Cl)c1)c1ccc(O)cc1O 409100249 TYNAFUNVRRRKLB-VCHYOVAHSA-N 318.760 3.214 50 40 DGGB CCc1ccc(/C=N\NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 31776192 HCGWWRLUJARSOV-HYTQYMIGSA-N 310.397 3.475 50 40 DGGB CCCCCC(/C=N\NC(=O)C[N+](C)(C)C)=C/c1ccccc1 31937804 JZTBNRMHHZUUBL-WNPPYXCZSA-O 316.469 3.459 50 40 DGGB Cc1ccccc1/C=N/NC(=O)c1cccc(Cn2cccn2)c1 131736 SKUIZXYNHCMJSJ-DEDYPNTBSA-N 318.380 3.004 50 40 DGGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccnc1 132007 XRIILDMQIMINOY-HADWXUJASA-N 318.380 3.186 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1 344595 GADDFNFZODSWLY-UDWIEESQSA-N 320.348 3.318 50 40 DGGB CC(C)(C)c1noc2c1[C@H](c1cccs1)C(C#N)=C(N)N2 101481726 UPCQNBINKKGCHK-JTQLQIEISA-N 300.387 3.285 50 40 DGGB CC1=C[C@@]2(C)C=C(C)[C@]3(OC(c4ccccc4)=C(C#N)C3=N2)C1=O 104271685 HWVQANDNOWOBQB-VQTJNVASSA-N 316.360 3.379 50 40 DGGB COc1ccc(CCCC(=O)N/N=C/c2ccc(F)cc2)cc1 33039 BJIVIXDPCZMTKO-DEDYPNTBSA-N 314.360 3.307 50 40 DGGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2C)c1 409099841 UKYAHMJKBLUSSO-DEDYPNTBSA-N 320.396 3.197 50 40 DGGB O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 44980202 UFMWXIFXLMPSGA-GFCCVEGCSA-N 320.801 3.370 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 12362543 KQYWPTWMBRPYPZ-QGOAFFKASA-N 311.341 3.333 50 40 DGGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1 31073 OWDWVBOYZPZCKT-CIAFOILYSA-N 319.364 3.108 50 40 DGGB COc1ccc(C(=O)NNc2nc3c(C)cccc3s2)cc1 4121291 MPXOGMKHKAZCIA-UHFFFAOYSA-N 313.382 3.370 50 40 DGGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc[nH]1 43210 NODOZCUTLFPDMX-FYJGNVAPSA-N 319.364 3.211 50 40 DGGB CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 3147496 CRTIZXMTGSMVGZ-RCCKNPSSSA-N 324.428 3.472 50 40 DGGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1ccncc1 33324286 VSEYCWBRWPTUQH-JAIQZWGSSA-N 309.300 3.245 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1 60529208 OTJPLWGJOCSGGG-FMIVXFBMSA-N 324.384 3.261 50 40 DGGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(O)cc1 5338224 JTJKQZNJMVPRSU-INIZCTEOSA-N 315.332 3.159 50 40 DGGB COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(OC)c1O 20621047 PUYGNLHFXZQUPM-NYYWCZLTSA-N 302.355 3.239 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(Br)o2)s1 368565 OBGQBWGDQMUTCI-AWNIVKPZSA-N 313.176 3.176 50 40 DGGB N#CC(C#N)=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 289318 RXAFROMJFAFAID-UHFFFAOYSA-N 303.321 3.135 50 40 DGGB O=C(Nc1ccc2[nH]c(=O)c3ccccc3c2c1)C(Cl)Cl 1710693 FLAMIQAEBRLMRD-UHFFFAOYSA-N 321.163 3.424 50 40 DGGB N#CC(C#N)=Cc1sc(N2CCOCC2)nc1-c1ccccc1 7740293 RAZCYMZLJZNDIN-UHFFFAOYSA-N 322.393 3.077 50 40 DGGB Cc1cc(Br)ccc1-c1ccc(/C=C/C(=O)NN)o1 57353769 HEBKRFHHWVAKAC-QPJJXVBHSA-N 321.174 3.021 50 40 DGGB CC(C)O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 63146120 VBCCRFGEAJEXLD-JJXSEGSLSA-N 324.262 3.448 50 40 DGGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1O 408566180 DXWIUNZYIAGPQJ-WDZFZDKYSA-N 309.300 3.480 50 40 DGGB O=C(N/N=C/c1ccccc1Cl)c1ccccc1[N+](=O)[O-] 252803 CLCLTFOLFHJXNZ-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)o1 5618424 HSTJBNQGPMTSKO-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB NC(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1 8074340 APQWFBAUDLRILI-CYBMUJFWSA-N 324.471 3.438 50 40 DGGB biogenic CCn1c(C)nc2cc(C(=O)N/N=C/c3ccccc3C)ccc21 3285440 YYUIDFBYOZEEOO-UDWIEESQSA-N 320.396 3.437 50 40 DGGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC1CCCC1 78425340 KRHIOWLYQPQHQT-USFPABIYSA-N 311.341 3.117 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 493519 XALMOFSQOBKECG-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(C)o1 4977406 HMBKKFGRMCZLBQ-GZTJUZNOSA-N 306.749 3.161 50 40 DGGB O=NN(CCCl)C(=O)Nc1ccc(Br)cc1 4963080 HTQOVPIHQVJTEI-UHFFFAOYSA-N 306.547 3.203 50 40 DGGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(Cl)cc1 59515836 ZKEKSCIFYXEMPJ-UHFFFAOYSA-N 307.781 3.105 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(C#N)cc1)c1ccccc1 111680186 CSEWJWBTPGAABQ-JVVDOCDTSA-N 301.349 3.343 50 40 DGGB CCOc1ccc(/C=C(/C#N)C(N)=S)cc1Br 408543465 PFCWKJBOFDEYCW-UITAMQMPSA-N 311.204 3.041 50 40 DGGB CCOC(=O)c1cc(CBr)oc1C(F)(F)F 39429701 BQWRJPDQNGGFSN-UHFFFAOYSA-N 301.058 3.370 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccccc1Br 226272716 NQGXKGHXKDPTPM-KMWZGFTASA-N 319.202 3.377 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2F)c1C 4150710 BIBALPLZZKKNBI-KEBDBYFISA-N 314.360 3.280 50 40 DGGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 3340381 YKDZWLUCXTUXSF-XYOKQWHBSA-N 312.300 3.086 50 40 DGGB CC(=O)Nc1ccc(S(=O)(=O)[C@H](Cl)c2ccccc2)cc1 5431715 ZAIRAAJFPBLLFW-HNNXBMFYSA-N 323.801 3.356 50 40 DGGB C=CCON[C@H]1CN[C@H](CO[Si](C)(C)C(C)(C)C)C=C1C 952961241 KOUXPNDUKUJTNN-GJZGRUSLSA-N 312.530 3.002 50 40 DGGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Cl)cc1 4137136 MFOVAJOUCIPBQC-LBPRGKRZSA-N 315.822 3.019 50 40 DGGB O=C(CCl)N1CCC[C@@H](CN(Cc2ccccc2)C2CC2)C1 79415115 CKNXQFBCRRGXFS-MRXNPFEDSA-N 320.864 3.128 50 40 DGGB CCCc1n[nH]c2c1[C@@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 5095130 IYKMNFXFUSIAJM-HNNXBMFYSA-N 308.385 3.143 50 40 DGGB Cc1ccc(COc2ccc(/C=C/C(=O)NN)cc2Cl)cc1 226333240 JWRLOUDGCMMKOA-VQHVLOKHSA-N 316.788 3.231 50 40 DGGB CCSC1=C(C#N)[C@H](c2ccccc2OC)[C@@H](C#N)C(O)=N1 189248 ANVIXFGZZSXJBN-BXUZGUMPSA-N 313.382 3.377 50 40 DGGB O=C(NNC(=O)c1ccccc1F)c1ccc2ccccc2c1 1569432 BHGKYYRQGUSTGE-UHFFFAOYSA-N 308.312 3.054 50 40 DGGB in-vivo O=C1OO[C@H]2[C@H]1[C@@H]1CC[C@@H]2C1(c1ccccc1)c1ccccc1 104068204 GBVPUFCBQNKZNW-WNRNVDISSA-N 306.361 3.486 50 40 DGGB COc1ccccc1NCC(=O)N/N=C\C(C)=C\c1ccccc1 32530946 NPKXNKXMTYEUKJ-NQNNONOWSA-N 323.396 3.313 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 262609 WDKACRGPRYRIAY-LCYFTJDESA-N 323.308 3.149 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC)cc2)cc1 20197275 CSZREXVJKOIKSU-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB Cn1c(SCCCCl)nnc1-c1c(F)cccc1F 228978567 XKMXLQWKZNELGP-UHFFFAOYSA-N 303.765 3.481 50 40 DGGB Cc1ccc2c(c1)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 223214051 USWOXWSNUYUXOW-XJKSGUPXSA-N 303.450 3.102 50 40 DGGB N#Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 257143 UPVRWYWFRFMGSV-CIAFOILYSA-N 315.332 3.181 50 40 DGGB Cn1cc(/C=C/C(=O)NN(c2ccccc2)c2ccccc2)cn1 47983459 OQFDTUMBVLCYIK-OUKQBFOZSA-N 318.380 3.303 50 40 DGGB Cc1cc(C(=O)NN=C(c2ccccc2)c2ccccc2)no1 65487985 OTPFWZPEBJVRBH-UHFFFAOYSA-N 305.337 3.165 50 40 DGGB Cc1cc(F)ccc1NC(=O)c1c(C)nn(CCCl)c1C 69776108 XRHYUXLLQMFHMH-UHFFFAOYSA-N 309.772 3.439 50 40 DGGB CC(=NNC(=O)c1cccc(Cn2cccn2)c1)c1ccccc1 254300813 PDIDQMSPQWUITJ-UHFFFAOYSA-N 318.380 3.085 50 40 DGGB COc1cccc(C(=O)N/N=C(\C)C2CCCCC2)c1OC 17031084 BEPICSRMXNLDTN-LDADJPATSA-N 304.390 3.390 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C 58885877 AFDUJGNYIHGVLT-RCCKNPSSSA-N 323.396 3.058 50 40 DGGB COc1ccc2cc(/C(C)=N/NC(=O)c3ccncc3)ccc2c1 4587062 PTNMAEPHZDDMEF-FYJGNVAPSA-N 319.364 3.397 50 40 DGGB COc1cc(OC)cc(C(Br)Br)c1 60093789 LLPMFZRHLNOJKE-UHFFFAOYSA-N 309.985 3.492 50 40 DGGB O=C1[C@H](Br)C(c2ccccc2)=NN1c1ccccc1 100716432 OKPHJVYRPRHVPW-CYBMUJFWSA-N 315.170 3.201 50 40 DGGB COc1cccc(C(=O)N/N=C/C=C/c2ccccc2OC)c1 4932009 IOHWHOSMCQORCF-YKIVCEQRSA-N 310.353 3.133 50 40 DGGB COC(=O)/C(C#N)=C1\CCCCC[C@H]1C(SC)=C(C#N)C#N 59662358 VCHHUXSSOAPNQG-MNWMYKRDSA-N 315.398 3.224 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1ccc(C)c(Cl)c1 59160101 IQESZNVDCNCJCV-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB N#C/C(=C\c1ccc(Br)o1)C(=O)NC1CCCCC1 6222025 BFVZRDPRIXIAKH-CSKARUKUSA-N 323.190 3.398 50 40 DGGB CC(=O)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409250893 YWNPAUBTIIVAEV-JAIQZWGSSA-N 309.344 3.299 50 40 DGGB Cc1cc(=O)c(C(=O)NN(c2ccccc2)c2ccccc2)c[nH]1 72862132 CKMOPDUXSPOEDB-UHFFFAOYSA-N 319.364 3.166 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 408748173 ZMDRWYQGUILFCQ-BOPFTXTBSA-N 306.365 3.227 50 40 DGGB COC(=O)CCc1ccc(N(CCCl)CCCl)cc1 1727161 BQMYRLLNFUGRER-UHFFFAOYSA-N 304.217 3.076 50 40 DGGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 408801682 WXUFJZXDSKEHKF-GULXKOIASA-N 316.401 3.304 50 40 DGGB Cc1cccc(OCC(=O)N/N=C\C=C\c2ccccc2)c1C 13942101 XRRLWLLWPRGNBG-KZBAPLJJSA-N 308.381 3.498 50 40 DGGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12 4525782 XHFXUANBGOVEMC-JAIQZWGSSA-N 321.336 3.051 50 40 DGGB O=C1[C@@H](Br)CCN1c1ccc(C(F)(F)F)cc1 68590897 WWDGKNDAVWMBID-VIFPVBQESA-N 308.097 3.206 50 40 DGGB in-vitro CC(C)(C)C1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C(C#N)=C(N)O1 545688 VJJWXBKIMGKWRF-OAHLLOKOSA-N 323.352 3.047 50 40 DGGB O=C(N/N=C/C=C/C=C/c1ccco1)c1cccc([N+](=O)[O-])c1 1866237 IQDCEWKFMKIQEL-ZALSQAOPSA-N 311.297 3.173 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 4614373 RCTONXXHNFLZIN-DJKKODMXSA-N 320.751 3.317 50 40 DGGB N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2o1 33691814 VAQGNXDPIGRLDT-MDZDMXLPSA-N 322.280 3.418 50 40 DGGB CCCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 192556741 ZRPSMUUKAHFSSU-RVDMUPIBSA-N 314.385 3.013 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 369596 ANRXFLOWYGRAPO-UZHLGIGRSA-N 315.373 3.445 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383992 OBXMEVRONVCASA-XSFVSMFZSA-N 323.396 3.059 50 40 DGGB CC(C)CC(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 10160519 MZKKPDMTBGGZIY-UHFFFAOYSA-N 324.424 3.402 50 40 DGGB O=C(N/N=C/c1ccccc1Br)c1ccc(F)cc1 255028 IJHFFPJQWSBJAF-RQZCQDPDSA-N 321.149 3.352 50 40 DGGB CC/C(=N\NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1 6307742 IBUSBPVDJZTFMK-XDJHFCHBSA-N 312.369 3.248 50 40 DGGB COc1ccc(OC)c(CBr)c1CBr 1701259 BESOQRFWCAJXLE-UHFFFAOYSA-N 324.012 3.494 50 40 DGGB O=C(Nc1ccccc1)[C@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1 3181835 MYMWHLRCKJIXOV-CYBMUJFWSA-N 318.716 3.024 50 40 DGGB CCC(=O)c1cc(Cl)ccc1NC(=O)CBr 3181484 MZMCQZSTFHBKPY-UHFFFAOYSA-N 304.571 3.266 50 40 DGGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)NCc1ccccn1 6644606 MJNPFQFZETWCFG-DHZHZOJOSA-N 315.735 3.097 50 40 DGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Cl)c1O 408816287 TVJROWNMUZGUFG-PQTFEYQYSA-N 322.792 3.266 50 40 DGGB CC(C)[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223214422 CIPQTWMNABZRFJ-XHDPSFHLSA-N 323.868 3.447 50 40 DGGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)Cc1ccccc1 5363180 PCXMFVYAEOQMIW-RCCKNPSSSA-N 323.396 3.058 50 40 DGGB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Cl)cc2)cc1 1746765 VZFWMGHHZWKMQQ-UHFFFAOYSA-N 309.774 3.175 50 40 DGGB Clc1cccc(N2CCN(CCCBr)CC2)c1 40990299 GKCRZVPPCINNAW-UHFFFAOYSA-N 317.658 3.247 50 40 DGGB in-vitro O=C(CCCCCCCC(=O)OCCCl)OCCCl 4727137 JBOTUGFOUOKZJI-UHFFFAOYSA-N 313.221 3.281 50 40 DGGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCc3ccccc3)ccc2O1 9029061 UPOKQOSJOTZPSR-BGARDKSCSA-N 318.376 3.233 50 40 DGGB Cc1cc(/C=N\NC(=O)c2ccccc2)ccc1N1CCCC1 408846361 JWUDSMINBSOUAN-ZHZULCJRSA-N 307.397 3.359 50 40 DGGB CCc1cccc2c(/C=N/NC(=O)c3ccc(O)cc3)c[nH]c12 3343297 UZEVUISJTJCUHT-RGVLZGJSSA-N 307.353 3.200 50 40 DGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Cl)cc1 220722 ATQRYHJVRCONGH-VXLYETTFSA-N 316.788 3.486 50 40 DGGB CCSC1=C(C#N)[C@H](c2ccccc2OC)[C@H](C#N)C(O)=N1 189249 ANVIXFGZZSXJBN-SMDDNHRTSA-N 313.382 3.377 50 40 DGGB N#CC(C#N)=C1C(=O)N(CCCc2ccccc2)c2ccccc21 1320695 OPVXPRPSUFQLEG-UHFFFAOYSA-N 313.360 3.467 50 40 DGGB O=C(NNC(=O)c1ccccc1)Nc1cccc2ccccc12 3123698 FUHJLAWHPUFWTE-UHFFFAOYSA-N 305.337 3.306 50 40 DGGB COC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCCC1 5719905 NGMGASBPUCSALV-AWEZNQCLSA-N 315.398 3.224 50 40 DGGB CC(=O)[C@H]1SC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1 22022892 NKZIEKKGKDQXCB-NWDGAFQWSA-N 313.209 3.475 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1 59382714 VZCKFCCODJGHCG-SQVRNEIYSA-N 324.380 3.089 50 40 DGGB O=[N+]([O-])c1ccccc1OC[C@H](Br)C(F)(F)F 85134512 BUPPZUJLTYRTEU-QMMMGPOBSA-N 314.057 3.299 50 40 DGGB O=c1[nH]c2ccc(Br)cc2cc1CCCCl 90500752 NRDNNMZUDYLFDL-UHFFFAOYSA-N 300.583 3.462 50 40 DGGB Cc1cc(/C=N/NC(=O)c2cccs2)ccc1N1CCCC1 408851089 HYZDQESSCBCJNZ-LDADJPATSA-N 313.426 3.421 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C1\C[C@H]2CC[C@H]1C2(C)C 408949509 FOXXJPHNLJGGOC-BGRSTHORSA-N 300.402 3.302 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)s1 5658406 FLBIXDZXBNBJSC-MHWRWJLKSA-N 317.370 3.373 50 40 DGGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccccc1OCC 8783190 KLPYUBNKCBGCMH-HNNXBMFYSA-N 324.384 3.277 50 40 DGGB C[C@]12C[C@@H]3C[C@@](CC(=O)O)(C1)C[C@@]([C@H](Cl)C(=O)O)(C3)C2 104231174 KNKXDTNNKGZUSK-XMHIBHPVSA-N 300.782 3.130 50 40 DGGB O=C(NNc1ccccc1)[C@@](O)(c1ccccc1)c1cccs1 3766191 NFJXKVHURRCZOR-GOSISDBHSA-N 324.405 3.127 50 40 DGGB CCOc1ccccc1/C=N/NC(=O)CC1(C)SCCS1 409250500 MOQSRHFFYXJZLI-LFIBNONCSA-N 324.471 3.122 50 40 DGGB C/C(=N\NC(=O)CC1(C)SCCS1)c1cccs1 409257087 QCYBCPDMOZOTMH-UKTHLTGXSA-N 300.474 3.175 50 40 DGGB CCn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21 409372921 QKPKQLHCKQFKSP-RGVLZGJSSA-N 306.369 3.007 50 40 DGGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1CCCCC1 3179036 CLBHGJIVKBLXIQ-JLHYYAGUSA-N 306.312 3.207 50 40 DGGB C=CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5668062 HSOMSANFLLMOLZ-RAXLEYEMSA-N 324.292 3.491 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccsc2)cc1OC 6009341 STHLLTOFTBSDFS-GHXNOFRVSA-N 314.366 3.311 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(Cl)c1 9190570 OPQPIQPMEXQVET-QGMBQPNBSA-N 316.744 3.141 50 40 DGGB Cc1cccc(NCC(=O)N/N=C/c2cccc(Cl)c2)c1 58980 XMUUNUOCHUITEY-VXLYETTFSA-N 301.777 3.211 50 40 DGGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccn1 1477624 OIYZQIRWGXYFRB-UDWIEESQSA-N 305.337 3.007 50 40 DGGB C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)C2 4228210 VWJROIUSFOLGSX-SFGNSQDASA-N 310.029 3.152 50 40 DGGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cccc(F)c1 5946166 KMGQGYCYIOHMTK-RELWKKBWSA-N 319.339 3.403 50 40 DGGB Cc1c(C(=O)N/N=C/c2cccc(Cl)c2)cccc1[N+](=O)[O-] 59447279 RWMGLKOWCLIQES-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB CCOC(=O)/C(=C\c1ccccc1)N1C=CC=CC1=C(C#N)C#N 257173537 QBLNTSIBPJKWFM-LDADJPATSA-N 317.348 3.277 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)cc1 408586094 BHFFKSGBMQVVCZ-YBFXNURJSA-N 312.369 3.252 50 40 DGGB C=C1CC(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1 408729944 LKRRJIPWQFXYCK-VXLYETTFSA-N 324.336 3.061 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCCCC1 331502 UMHKFJPESDTJHP-ZROIWOOFSA-N 312.369 3.161 50 40 DGGB O=[N+]([O-])c1ccc([C@@H](Cl)S(=O)(=O)c2ccccc2)cc1 1733322 BVTJVRXMCWRZKE-ZDUSSCGKSA-N 311.746 3.306 50 40 DGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 3008894 FOTMDWNZMXZGIU-UDWIEESQSA-N 323.396 3.207 50 40 DGGB N#C/C(=C/c1ccco1)C(=O)NCCc1c[nH]c2ccccc12 33328163 DUNGGFXCQDFBDP-UVTDQMKNSA-N 305.337 3.027 50 40 DGGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1 33716479 SFAAMUKPMFDGNW-BOPFTXTBSA-N 307.397 3.398 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccs1 59447287 QEASJHINDDTMOJ-XNTDXEJSSA-N 303.343 3.119 50 40 DGGB CC(C)c1ccc(NC(=O)C(=O)NN=C2CCCCC2)cc1 59515724 ZULIRUZRIOKAOC-UHFFFAOYSA-N 301.390 3.185 50 40 DGGB O=C1OC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]12 68576720 QBTDNXVTAHQRRU-WNRNVDISSA-N 304.345 3.440 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1Br 100926783 NQGXKGHXKDPTPM-FOUSACFDSA-N 319.202 3.377 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1C 568838 IWKKBXJAWSYTAP-UHFFFAOYSA-N 302.761 3.032 50 40 DGGB C[C@]12CC3CC(N4C[C@@H](C(=O)Cl)CC4=O)(C1)C[C@](C)(C3)C2 103545025 UNORUJNFWLFQQA-ZSDCSZLFSA-N 309.837 3.349 50 40 DGGB CC(=O)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 408967559 UCMJKYWAJNYXLW-RGVLZGJSSA-N 306.369 3.112 50 40 DGGB CC1=C[C@@]2(Nc3cc(-c4ccccc4)ccc3O2)C(C#N)=C(N)O1 40546224 BVLBRFQGXQWFMT-IBGZPJMESA-N 317.348 3.482 50 40 DGGB O=[N+]([O-])c1c(CBr)cccc1OC(F)(F)F 71790136 SRMJUKBFCLWETO-UHFFFAOYSA-N 300.030 3.388 50 40 DGGB CC(C)CC(=O)Nc1ccc(C(=O)NN=C2CCCC2)cc1 587005 MMJPJNKGWXENEZ-UHFFFAOYSA-N 301.390 3.331 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccsc1)Nc1ccccc12 495453 PQTQGGBRXIAICA-OAHLLOKOSA-N 317.377 3.206 50 40 DGGB COC(=O)c1cccc(CBr)c1CBr 59075119 AIZKAMIZWQQDNG-UHFFFAOYSA-N 321.996 3.263 50 40 DGGB in-vitro CN(C)c1ccc(/C=N\NC(=O)c2csc3c2CCCC3)o1 17054353 POOVRSBLEBZFAD-MFOYZWKCSA-N 317.414 3.050 50 40 DGGB O=[N+]([O-])c1ccccc1OC[C@@H](Br)C(F)(F)F 85134514 BUPPZUJLTYRTEU-MRVPVSSYSA-N 314.057 3.299 50 40 DGGB O=C(NN=C1CCCCCC1)C(=O)Nc1cccc(Cl)c1 13923694 YYOYVOZCJOLCPM-UHFFFAOYSA-N 307.781 3.105 50 40 DGGB CCOc1ccc(N[C@H](C)C(=O)N/N=C/c2cccs2)cc1 234899 STZIXQAAMLVDHQ-PBSOMRJOSA-N 317.414 3.098 50 40 DGGB COc1cc(C(=O)N/N=C/c2ccc(C)o2)ccc1OC(C)C 370453 SLAFRYBZHAFAAI-VCHYOVAHSA-N 316.357 3.148 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1O 1086718 GAJSRMHQEMFSST-NTEUORMPSA-N 308.337 3.255 50 40 DGGB CCCCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4951222 MIMPZDXNVNPVMK-GZTJUZNOSA-N 315.329 3.495 50 40 DGGB CC(C)(CBr)CO[P@@]1(=O)NCC(C)(C)CO1 5741531 LWNJZJOUADLJTJ-INIZCTEOSA-N 314.160 3.178 50 40 DGGB N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1 14361403 HUSGFJHUXRSKST-JQIJEIRASA-N 306.768 3.354 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccncc2)c(C)n1C1CC1 48237585 WOZLCOJCWMHPAT-GDNBJRDFSA-N 306.369 3.381 50 40 DGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(C)o1 409042608 YPQBKGXJTZBRKB-RQZCQDPDSA-N 306.749 3.404 50 40 DGGB CCCCCC/C=N/NC(=O)C(=O)N/N=C/CCCCCC 104376268 PEEXFVRREBODPI-HBKJEHTGSA-N 310.442 3.131 50 40 DGGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/C[C@@H]2CC=C[C@@H]12 36187576 IGSNLPZYAFWPCG-YRSRDCFYSA-N 323.318 3.186 50 40 DGGB C=CCOc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1 408980463 WSLOFVRBWWJLIW-LFIBNONCSA-N 307.353 3.312 50 40 DGGB CCc1ccccc1NC(=O)NNC(=O)CCc1ccccc1 15934259 ZBPVZYNSBGJDAO-UHFFFAOYSA-N 311.385 3.035 50 40 DGGB CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2cccs2)cc1 569140 GNKYZTYMDMIODW-NSHDSACASA-N 318.398 3.000 50 40 DGGB Cc1ccc(SCc2[nH]nc3c2[C@@H](C)C(C#N)=C(N)O3)cc1 4147643 JXAAOVHLTDOTPP-JTQLQIEISA-N 312.398 3.200 50 40 DGGB CC[C@H](C)/C(C)=N/NC(=O)CSc1nc2ccccc2o1 6507997 MGTIKAPCOOTRRI-SMBGSVLFSA-N 305.403 3.458 50 40 DGGB Cc1ccccc1NNC(=O)c1cnc(-c2ccccc2)nc1 6861139 AGTHCOXOVYBNIE-UHFFFAOYSA-N 304.353 3.209 50 40 DGGB CCOc1ccc(/C(C)=N\NC(=O)c2cc(C(C)C)n[nH]2)cc1 16851979 KUEHQYDGOILTTH-PDGQHHTCSA-N 314.389 3.086 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc(N(C)C)cc2Cl)cc1 17023811 PIPFDJHDASHAHG-ODLFYWEKSA-N 315.804 3.478 50 40 DGGB COc1ccc(CC(=O)NN=C2CCCCCC2)cc1OC 59515914 UWYYEHNLAAOEDA-UHFFFAOYSA-N 304.390 3.073 50 40 DGGB CCC[C@@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1 72220092 IJOHPRQLWNRXQU-MRVPVSSYSA-N 303.200 3.474 50 40 DGGB CCO[Si](Cc1cc(F)c(F)cc1F)(OCC)OCC 221813219 UKJKRFJQACKANG-UHFFFAOYSA-N 308.372 3.234 50 40 DGGB O=[N+]([O-])c1cc(CBr)ccc1OC(F)(F)F 258833469 KENCRXWILSWERV-UHFFFAOYSA-N 300.030 3.388 50 40 DGGB Cc1nc(-c2ccccc2)nc2c1C[C@@H](CBr)O2 169004 MDGRMRFKTZLRIL-NSHDSACASA-N 305.175 3.150 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 106268775 WKQINNLAGRDHIH-ZXKZUAKNSA-N 301.346 3.137 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccncc1 59247797 SVNKTAMTEIXPSN-UDWIEESQSA-N 324.771 3.290 50 40 DGGB Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2F)cc1 67340815 VATIPGOTGGMYCJ-SDNWHVSQSA-N 316.357 3.385 50 40 DGGB N#CC(C#N)=Cc1cccc(Oc2nc(Cl)ncc2F)c1 409063321 KNRFKJPYECSXRA-UHFFFAOYSA-N 300.680 3.492 50 40 DGGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(Br)cc1 408816065 QTQZGNYTPBKEPW-ZDIKFAODSA-N 307.191 3.271 50 40 DGGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1Cl 83324991 IFMXDCRVEJLVOY-QUYZQLMHSA-N 316.788 3.304 50 40 DGGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1Cl 13922445 JLHJAALPEGREES-UHFFFAOYSA-N 307.781 3.105 50 40 DGGB COC1CCC(/C(C#N)=C/[C@@H]2CC[C@H](OC)[C@H](OC)C2)CC1 6385319 LDKOSUQNGUYOSJ-HHQVHHFCSA-N 307.434 3.472 50 40 DGGB O=C(CCc1ccccc1)NNC(=O)c1ccc2ccccc2c1 378984 KTQBXKNLYQJZEM-UHFFFAOYSA-N 318.376 3.234 50 40 DGGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(F)cc1 437254 QSFBMOZIJNWETJ-GIJQJNRQSA-N 306.724 3.008 50 40 DGGB O=C(CCC(=O)Nc1ccccc1Cl)NN=C1CCCCC1 525019 VACAITVNPBIPSX-UHFFFAOYSA-N 321.808 3.495 50 40 DGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1 3080368 HHTCBXOCGDBLGX-UDWIEESQSA-N 323.396 3.207 50 40 DGGB N#CC(C#N)=Cc1cc(Br)c(Br)o1 4525147 TWQPQPMIAXKCJZ-UHFFFAOYSA-N 301.925 3.235 50 40 DGGB COc1cccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 5381617 ONZVLLJDILZDAB-QDRDOIMASA-N 308.381 3.339 50 40 DGGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@H](c2cccs2)N1C 5760182 PIXKKCRQWFPQQW-OAHLLOKOSA-N 323.421 3.475 50 40 DGGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 6209883 UCSSJCZFZARTMM-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB C/C(CC(=O)N(C(C)C)C(C)C)=N/NC(=O)c1ccc(C)cc1 6645965 RYWIFMYQTMPANL-CYVLTUHYSA-N 317.433 3.136 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 15356967 WHTDQBVIIGHTGZ-KAMYIIQDSA-N 308.337 3.249 50 40 DGGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C#N)cc1 20195500 XEHUFBREDVFXPY-RCCKNPSSSA-N 305.381 3.258 50 40 DGGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 5095382 SAVYFZRLWUDEDV-GFCCVEGCSA-N 312.348 3.064 50 40 DGGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)C1CCCCC1 8026050 WYGLGOJUMVOPHT-CPNJWEJPSA-N 301.390 3.006 50 40 DGGB CC1=C/C(=N\NC(=O)c2nc3ccccn3c2C)CC(C)(C)C1 89556234 HXODBQLYUICFEG-XSFVSMFZSA-N 310.401 3.495 50 40 DGGB COc1ccccc1OCC(=O)NN=C1CCCCCCC1 6684519 IEDXLAIHSZYJOQ-UHFFFAOYSA-N 304.390 3.291 50 40 DGGB FC(F)(Br)C(Br)Br 103527358 OFEFMZPLMYYHBJ-UHFFFAOYSA-N 302.738 3.090 50 40 DGGB COc1ccccc1C(=O)NNc1ccccc1C(F)(F)F 45480932 VCQDMAKFMRHHQI-UHFFFAOYSA-N 310.275 3.471 50 40 DGGB O=C(CCl)c1cc(Br)ncc1Br 199753535 XBARDEHXRMKVKX-UHFFFAOYSA-N 313.376 3.028 50 40 DGGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 195380552 IQNKLUJOAOJIMC-QINSGFPZSA-N 303.321 3.135 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7384110 RXSHQQFTMYTBNI-XSFVSMFZSA-N 323.396 3.059 50 40 DGGB O=C(CCl)Nc1nc2ccc(Br)cc2s1 3267924 KXPBQZGBHBXROK-UHFFFAOYSA-N 305.584 3.236 50 40 DGGB CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccc(F)cc1)C(C#N)=C2N 4094579 GDNRDEFTAKCCPE-KRWDZBQOSA-N 312.344 3.277 50 40 DGGB Cc1cc(C)n(CC(=O)NN=C2CCC(C(C)(C)C)CC2)n1 6686948 BJOGQEHTTACJIR-UHFFFAOYSA-N 304.438 3.208 50 40 DGGB CCOc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 20764116 CNUNQHUOCSCKSS-UDWIEESQSA-N 321.380 3.341 50 40 DGGB COC(=O)C(C)(C)c1ccc(C#CCCBr)cc1 35636636 ONDDMJMNTYUTOP-UHFFFAOYSA-N 309.203 3.274 50 40 DGGB in-vitro N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nccn1CC(F)(F)F 69896746 UVQIXAZUYQPCSH-XFFZJAGNSA-N 322.246 3.418 50 40 DGGB O=C(CSc1nc2ccccc2o1)NN=C1CCCCC1 311993 ZCPHDTQLAZGWFT-UHFFFAOYSA-N 303.387 3.356 50 40 DGGB CC(C)=NNC(=O)CSCc1cccc(Br)c1 4714681 PDFPZUYHOCEANT-UHFFFAOYSA-N 315.236 3.194 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c1 6583503 SSJQMESUUKJNAI-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)C(N)=S 100423224 KIVQWEADWULZRF-AATRIKPKSA-N 305.712 3.464 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223221760 ANXNZWZENJNDDU-ZFWWWQNUSA-N 303.450 3.246 50 40 DGGB Cc1ccc(F)cc1C(=O)[C@@H](Br)CBr 306919430 KINOXYYADQTOBW-VIFPVBQESA-N 323.987 3.475 50 40 DGGB CCO[Si](Cc1c(F)ccc(F)c1F)(OCC)OCC 575182189 GLTHHHVMUOPZMY-UHFFFAOYSA-N 308.372 3.234 50 40 DGGB CCOc1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1 103032151 GVFSRWRPUBILMG-LFIBNONCSA-N 309.321 3.235 50 40 DGGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(N)=O 5749744 UPVNYVQIPIDVLL-JXMROGBWSA-N 317.142 3.101 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@@H]1C2 5381864 WKQINNLAGRDHIH-FYLHXOMUSA-N 301.346 3.137 50 40 DGGB NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 2578469 SHFAONFVOBZBMC-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB COc1ccc(CSCC(=O)N/N=C(\C)C(C)(C)C)cc1 408781036 QHRVZJNDQMEOOI-SFQUDFHCSA-N 308.447 3.467 50 40 DGGB N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OC/C=C\c1ccccc1 34131983 XGHYFEJMJXGPGN-SWMCFQLFSA-N 321.332 3.261 50 40 DGGB Cc1cc2c(cc1C)N(C(C)(C)C(=O)NN)C(C)(C)C[C@@H]2C 223208629 NUZQGPNBDNGMJL-ZDUSSCGKSA-N 303.450 3.164 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2sccc2C)cc1 573771 LRUHKMIOCIOBEJ-ZROIWOOFSA-N 312.394 3.289 50 40 DGGB C=CC/N=C(\S)N/C=C(/C#N)c1nc2ccccc2s1 18211433 PALLRKIAFYMOFT-KTKRTIGZSA-N 300.412 3.222 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1 17253097 ALZPFNHTVNONGT-UHFFFAOYSA-N 308.337 3.124 50 40 DGGB O=[P@@]1(N(CCCl)CCCl)OCC[C@H]2CCCCN21 1694919 LBHRYWZOYQOZFA-ZMZPIMSZSA-N 315.181 3.149 50 40 DGGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccs1 2801402 BEDMPJUNZHWBFU-VCBXAZPMSA-N 308.790 3.319 50 40 DGGB C[C@H](Br)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4276959 DBZMOLFRJVMPNZ-LURJTMIESA-N 321.558 3.360 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1O 59117191 NNXGMSAXXKPHJP-WQLSENKSSA-N 312.300 3.086 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccc(F)c1 408959709 DORCSZLGOUMXOD-DEDYPNTBSA-N 311.360 3.190 50 40 DGGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1cccc(F)c1 408870219 VLXQONJTRLODAJ-CXUHLZMHSA-N 324.355 3.207 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1 34198217 ABAHAOIVTZPOQY-XSFVSMFZSA-N 323.396 3.059 50 40 DGGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 555786 YUJIGFOGYKTFOP-GXDHUFHOSA-N 311.410 3.037 50 40 DGGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OC 478814 CXPCHIWCCOFYRI-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB Cc1ccc(OC(=O)CCl)c(-n2c(C)cc(C=O)c2C)c1 8702878 UIYXNLVGOPCSST-UHFFFAOYSA-N 305.761 3.359 50 40 DGGB Cc1ccccc1SCC(=O)N/N=C/C#Cc1ccccc1 3151159 DQTAJAGMDFJKDL-CPNJWEJPSA-N 308.406 3.241 50 40 DGGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccccn2)cc1 5119572 AROFWBJMMCYGEN-XSFVSMFZSA-N 310.401 3.082 50 40 DGGB O=C(NNc1ccc(Br)cc1)c1ccc(F)cc1 6225367 RFXLDLNKYSEZFX-UHFFFAOYSA-N 309.138 3.345 50 40 DGGB C#CCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9201201 ZCMXRUOQWYEGLJ-FYJGNVAPSA-N 315.376 3.347 50 40 DGGB COc1ccnc(COC(=O)/C(C#N)=C\c2ccc(C)cc2)c1 65547698 QRJRZPPBXHIULV-DHDCSXOGSA-N 308.337 3.049 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 73391086 YTBWVAYTXPMMBM-ZDLGFXPLSA-N 322.324 3.148 50 40 DGGB CC(C)OC(=O)[C@H](C)N[P@@](=O)(Cl)Oc1ccccc1 114020081 SKAAFTUHFLUIKV-APBUJDDRSA-N 305.698 3.342 50 40 DGGB CCO[Si](Cc1c(F)cc(F)cc1F)(OCC)OCC 221501929 CGEGOAQGPNZWCC-UHFFFAOYSA-N 308.372 3.234 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] 48238 WTGZNJVIGDBNMS-JIXJXQKQSA-N 315.373 3.180 50 40 DGGB CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1 5130328 RZWQBPFLOCWVIN-SFQUDFHCSA-N 306.365 3.309 50 40 DGGB Cc1ccc(NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 5274162 AEXSIZQTRINUOB-UHFFFAOYSA-N 319.817 3.280 50 40 DGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(C)n[nH]1 5686524 VZRNAGNPQDFGBC-YBFXNURJSA-N 322.368 3.034 50 40 DGGB Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1C1CC1 8334207 ROUAUUYGYVKYQO-IUOVYFEOSA-N 320.396 3.197 50 40 DGGB O=C(CCl)N(Cc1ccccc1Br)C1CC1 37501652 PRULXCUVKNPSER-UHFFFAOYSA-N 302.599 3.179 50 40 DGGB O=[N+]([O-])c1cccc(OC[C@@H](Br)C(F)(F)F)c1 85134555 RDWMBQRNLYZFFH-MRVPVSSYSA-N 314.057 3.299 50 40 DGGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)NC1CCCC1 96505713 XQOUWFIUNFYCPL-WQLSENKSSA-N 304.777 3.314 50 40 DGGB CC1=C[C@]2(C)C=C(C)[C@@]3(OC(c4ccccc4)=C(C#N)C3=N2)C1=O 104271680 HWVQANDNOWOBQB-UXHICEINSA-N 316.360 3.379 50 40 DGGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)n1nc(C)cc1C 408977561 IZHPQZGVWSIUGK-NTUHNPAUSA-N 315.760 3.409 50 40 DGGB O=C1c2ccccc2C(=O)N1c1cccc(CBr)c1 1578086 SBRXBPJZOZZQSL-UHFFFAOYSA-N 316.154 3.382 50 40 DGGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 8812317 NMQWHZCNYABZGT-YBFXNURJSA-N 300.333 3.377 50 40 DGGB Cc1ccccc1Cn1cc(/C=N/NC(N)=O)c2ccccc21 27830112 DWYHTRUYJYXLIF-KEBDBYFISA-N 306.369 3.000 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc(F)cc1 59334915 LQCLXTXSGKGANZ-WJDWOHSUSA-N 324.355 3.400 50 40 DGGB COc1ccc(C(=O)Oc2ccccc2C=C(C#N)C#N)cc1 59399055 PQWLNEDIOOHXPG-UHFFFAOYSA-N 304.305 3.345 50 40 DGGB COc1cc(NC(=O)CCBr)c(OC)cc1Cl 4694354 IAJPWEYJUHYQML-UHFFFAOYSA-N 322.586 3.081 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)c1 36142702 WVJDVGACHMTETK-MDWZMJQESA-N 323.308 3.155 50 40 DGGB Cc1c(/C=N\NC(=O)c2cccc(F)c2)c2ccccc2n1C 33281454 XLNJZZKBDJNXPY-JAIQZWGSSA-N 309.344 3.390 50 40 DGGB O=C(c1ccc(O)cc1)c1ccc(OCCBr)cc1 39271145 LEVHOJCNGNSULG-UHFFFAOYSA-N 321.170 3.397 50 40 DGGB in-vitro COc1ccc(CC(=O)N/N=C(/C)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 5454910 QHCWNDHTNWAHPQ-ZVQPTDDKSA-N 300.402 3.166 50 40 DGGB NNC(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 4294083 FTBHGCHJJKMVPI-UHFFFAOYSA-N 322.364 3.053 50 40 DGGB COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 4813706 RSLBGOBWFQMBOF-DHDCSXOGSA-N 309.321 3.466 50 40 DGGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccco2)cc1 509113 DFBHZMQGWMYLLX-WOJGMQOQSA-N 300.358 3.106 50 40 DGGB CC1(C)C[C@@](CCNC(=O)CCl)(c2ccccc2)CCO1 509296 VGXDOXJYAHWVLW-KRWDZBQOSA-N 309.837 3.259 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 1092383 KUAXBFSXLMDUKZ-KGENOOAVSA-N 320.396 3.168 50 40 DGGB CCCCOc1ccc(NC(=O)N/N=C/c2ccncc2)cc1 1891555 YEPKEYORUOCKAW-CPNJWEJPSA-N 312.373 3.416 50 40 DGGB CN(C)/C=C(\C#N)C(=O)c1cccnc1Oc1cccc(F)c1 4105355 ZZLDZNMYOSKCPO-VAWYXSNFSA-N 311.316 3.165 50 40 DGGB O=C(COc1cccc(Cl)c1)N/N=C\C=C\c1ccco1 4724113 OVZMGFJWTUAOPE-IVSKUPJLSA-N 304.733 3.127 50 40 DGGB CCCN1CCC(=NNC(=O)Cc2cccc3ccccc23)CC1 5468391 CQCWSPPTIWAWTJ-UHFFFAOYSA-N 323.440 3.360 50 40 DGGB CCc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 5470687 ZXCMYNYULNLPLA-UDWIEESQSA-N 310.397 3.395 50 40 DGGB C/C(=N\NC(=O)CC(C)C)c1ccc(Br)s1 5632788 QZGPABCGMZHJTR-MDWZMJQESA-N 303.225 3.397 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@H]1CC=CCC1 6269218 ZTOOXEKSFMUMAU-SGPNVBEDSA-N 306.793 3.486 50 40 DGGB O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)C1CC1 34896927 QKAULQAJBNNKTI-OBKVJGTNSA-N 306.365 3.441 50 40 DGGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccnc1 38151501 UNVFOAJJZCQEQM-RVDMUPIBSA-N 307.353 3.416 50 40 DGGB COc1cc(C(=O)N/N=C2/CCCC[C@H]2C)cc(OC)c1OC 105489023 VOXTXFRXQUNHIY-SHTJFRFBSA-N 320.389 3.008 50 40 DGGB COc1ccc(/C=C/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409251277 UMBKXJIJCOOYCL-BPCHAPQNSA-N 312.344 3.192 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)s1 585219 QLOLVVRXNDAFJB-LZYBPNLTSA-N 308.790 3.239 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2cc(C)oc2C)cc1OC 1476674 MWOKADJXLWFTCL-WOJGMQOQSA-N 316.357 3.068 50 40 DGGB Cc1ccc([C@@H](Br)[C@@H](Br)C(=O)O)cc1 2154638 SGZSQKUXROIKMV-RKDXNWHRSA-N 321.996 3.279 50 40 DGGB C/C(=N\NC(=O)c1ccccc1)c1ccc(-n2ccnc2)cc1 5071364 SYXROMVDIBPPFZ-XSFVSMFZSA-N 304.353 3.026 50 40 DGGB C[C@H]1C/C(=N\NC(=O)Cc2cn3ccsc3n2)CC(C)(C)C1 33044105 GUYBAIQARVOCGG-MSXRGENMSA-N 318.446 3.257 50 40 DGGB CO[C@H](C(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 58915879 ULYXHSCYKDCYIV-RPJLVFAOSA-N 320.751 3.317 50 40 DGGB IC1CCN(Cc2ccccc2)CC1 79436740 PVXRGTWRJQHSMO-UHFFFAOYSA-N 301.171 3.086 50 40 DGGB Cc1ccc([N+](=O)[O-])c(C[N+](C)(CCCl)CCCl)c1 1636821 RQAAADJSGGNADM-UHFFFAOYSA-N 306.213 3.327 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1 5720969 BRJVWCORMNYNNH-CPNJWEJPSA-N 310.353 3.024 50 40 DGGB C[C@@H]1CCc2sc(C(=O)NN=C3CCSCC3)cc2C1 46590013 JHCJFCWOVCHJLJ-SNVBAGLBSA-N 308.472 3.486 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4737524 KDJKVDQYMBPCLJ-LDADJPATSA-N 311.341 3.311 50 40 DGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccn2)c1 4888887 RPLPDYIJONDHRG-RGVLZGJSSA-N 311.385 3.043 50 40 DGGB N#Cc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408961536 CUFROQJDBILQKJ-UFFVCSGVSA-N 317.270 3.341 50 40 DGGB NNC(=O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 216795806 NOBWYKODUPNXHK-UHFFFAOYSA-N 322.151 3.405 50 40 DGGB C=COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 493704 KDWYEAYBBVIHLK-MRXNPFEDSA-N 308.337 3.024 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 5618252 BUFHQFGPYPNBQH-WOJGMQOQSA-N 315.304 3.196 50 40 DGGB Cc1nc2ccccn2c1P(c1ccccc1)c1ccccc1 100498214 IDOXHSNFLBEUPQ-UHFFFAOYSA-N 316.344 3.401 50 40 DGGB in-vitro Cc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1 106794 ZOTNODDISHNPLD-INIZCTEOSA-N 321.405 3.295 50 40 DGGB Cc1c(C#N)c(NC(=O)CCl)n(Cc2ccc(F)cc2)c1C 4205559 MIGWOHWMEGTJLT-UHFFFAOYSA-N 319.767 3.341 50 40 DGGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(N)=O 4508556 ZLYONMOBQIBWBT-CLFYSBASSA-N 304.758 3.476 50 40 DGGB O[C@@H](Br)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1 5105136 BYWSKVCDDGAREW-BOEXNKMNSA-N 310.235 3.458 50 40 DGGB COC(=O)c1cccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)c1 13004693 XOTVEWHMYYVQLE-ACCUITESSA-N 318.336 3.326 50 40 DGGB FC(F)(F)C(F)(F)SCCI 71792914 QMEOBCJEDZGXIJ-UHFFFAOYSA-N 306.037 3.310 50 40 DGGB NNC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922736 RBRFCDDWCYSYNC-UHFFFAOYSA-N 321.167 3.140 50 40 DGGB C[C@H](C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCCC1 1403640 WCYCWOUIYVIIQW-MRXNPFEDSA-N 321.424 3.040 50 40 DGGB CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1 19802781 MWAFUYZPEXGPIM-HNNXBMFYSA-N 314.410 3.309 50 40 DGGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1ccccc1 409251595 UXFHIOSJVKIVHR-STZFKDTASA-N 321.355 3.309 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OCC 408809855 SHBZRVOCXBFJQP-QQFZQELXSA-N 316.401 3.306 50 40 DGGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2C)cc1 36288326 TZYQGCPKVBLMNQ-DEDYPNTBSA-N 320.396 3.197 50 40 DGGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1 216039482 WCMVUOOXFKEGEI-MOSHPQCFSA-N 310.397 3.395 50 40 DGGB C=CCn1c(C)c(/C=N/NC(=O)c2ccncc2)c2ccccc21 573109 XGLBGSVQSRUTIW-FYJGNVAPSA-N 318.380 3.295 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1C 555703 QVQFFDULVUUMEP-NTEUORMPSA-N 312.394 3.289 50 40 DGGB O=C1[C@H](Br)SC(=S)N1c1ccc(Cl)cc1 3120326 XMMXHLICWLXFBU-SSDOTTSWSA-N 322.636 3.426 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 60194 NOVYQDNWVMXIOF-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB O=C(N/N=C/c1ccc(O)cc1)c1csc2c1CCCC2 510393 YPFHXWXKYWMASH-RQZCQDPDSA-N 300.383 3.096 50 40 DGGB CC(C)C(=O)OC(C)(C)[C@H](Br)CBr 1602867 NLMURQMFDXYQRF-SSDOTTSWSA-N 316.033 3.123 50 40 DGGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1 4280946 HGBJOOGGHCBWTI-UDWIEESQSA-N 305.337 3.414 50 40 DGGB O=C(NN=C(CCl)CCl)c1cccc(Br)c1 100244245 RCCCTGUCAQJROZ-UHFFFAOYSA-N 324.005 3.013 50 40 DGGB CC(C)[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260613021 CIPQTWMNABZRFJ-ABAIWWIYSA-N 323.868 3.447 50 40 DGGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3ccc(O)cc32)cc1 43575 ZVFMXHZSSZEWEW-QGZVFWFLSA-N 308.337 3.009 50 40 DGGB O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(O)c1 345430 VKSSRFUNBOLVBG-UDWIEESQSA-N 320.348 3.075 50 40 DGGB O=C(COc1ccccc1Cl)N/N=C/C=C/c1ccco1 3026895 FWARTVYLUMPWTL-AHEHSYJASA-N 304.733 3.127 50 40 DGGB N#C/C(=C/c1ccco1)C(=O)Nc1cccc(-n2ccnc2)c1 98055147 LIBNBDDMRBYOPP-LCYFTJDESA-N 304.309 3.011 50 40 DGGB C[C@H](Cl)C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 8733155 ARNNRSREVSJNCQ-NSHDSACASA-N 310.825 3.056 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1C 3136537 KHCMGZFWRUOMQJ-SSDVNMTOSA-N 320.396 3.347 50 40 DGGB NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1 3223750 YVVFUNIZOLREFB-UHFFFAOYSA-N 309.394 3.131 50 40 DGGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc([N+](=O)[O-])c1O 5910441 LZUYBUYWYLWWDQ-NSIKDUERSA-N 321.292 3.245 50 40 DGGB COC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(F)cc1 7060374 QILLJPBJAGFQOY-XNTDXEJSSA-N 311.312 3.485 50 40 DGGB CN(C(=O)CCc1ccccc1)N(C)C(=O)CCc1ccccc1 18193502 BQMVZNKOBAVKCT-UHFFFAOYSA-N 324.424 3.084 50 40 DGGB CCCC[C@H](CC)COC(=O)/C(C#N)=C/C=C1/OC=CN1C 86862244 OUIJMYJVMYRODU-YTMGDRNWSA-N 304.390 3.471 50 40 DGGB O=C(Cl)c1cc(Cl)ccc1I 140704648 POIWKEASAFSUCI-UHFFFAOYSA-N 300.910 3.324 50 40 DGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1O 301072 UDTGIRNLZHWXFJ-UDWIEESQSA-N 320.348 3.318 50 40 DGGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)cc1 2275604 AVEASCCTZPJEJN-FOWTUZBSSA-N 322.364 3.021 50 40 DGGB COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C(=O)O 409046070 INXWGYPURRSZAU-WQLSENKSSA-N 319.320 3.334 50 40 DGGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1 93824 FWLJMBJQSUPFPQ-MBNTZHJCSA-N 302.761 3.258 50 40 DGGB Cc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1 106800 ZOTNODDISHNPLD-MRXNPFEDSA-N 321.405 3.295 50 40 DGGB CC(=O)c1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1 57413947 FAIPKKOHSBIPOD-NTCAYCPXSA-N 305.337 3.347 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(Cl)cc1 59433833 RLJIDEAPVJCHAM-UHFFFAOYSA-N 309.797 3.351 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(OC)c1OC 4693834 LMLDWVWHCPSDGG-FMIVXFBMSA-N 303.358 3.235 50 40 DGGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)C(F)(F)F 4670415 YVPBXWWTKRWOBV-VXLYETTFSA-N 310.275 3.273 50 40 DGGB O=C(N/N=C\C=C\c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 4814013 SPQPFOJHWLISDM-SFHDDKPDSA-N 313.288 3.163 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223222067 IBQFXRLHBRBXCW-NHYWBVRUSA-N 307.413 3.077 50 40 DGGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccco1 242912 CCRJPXLYQNSGBP-DTQASYIRSA-N 306.749 3.159 50 40 DGGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 223410 BGSNFOUVCQFNIQ-DJKKODMXSA-N 305.740 3.041 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 503998 FRTKUYNGOABOKT-YBFXNURJSA-N 324.336 3.214 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1O 59335814 LGGJBADVNCBQLX-ZROIWOOFSA-N 308.337 3.255 50 40 DGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(C)s2)c1 6216311 SFLIBKNYDZBYEQ-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB C[C@H]1CCC/C(=N\NC(=O)CSc2nc3ccccc3[nH]2)C1 6516676 COCIKJRFVPACDO-QMDUKARKSA-N 316.430 3.337 50 40 DGGB COc1ccccc1/C=N/NC(=O)CCSc1ccccc1 233778 RWJATIVZZYWRBL-QGOAFFKASA-N 314.410 3.328 50 40 DGGB Cc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1 186731 LILWAMCLYBQBND-VCHYOVAHSA-N 324.409 3.114 50 40 DGGB CC(=O)Nc1cccc(N/C=C(\C=O)c2nc3ccccc3o2)c1 996960 GNRNJFUGLZNHPF-JLHYYAGUSA-N 321.336 3.438 50 40 DGGB O=C(NCCBr)NCCc1cccc2ccccc12 1722367 MCBJTMUMVUJPLO-UHFFFAOYSA-N 321.218 3.076 50 40 DGGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1 182027640 DPTIKTHPCBYHGG-KAMYIIQDSA-N 309.344 3.437 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1 408990720 LNSLZKWIOJBSTR-DEDYPNTBSA-N 321.380 3.192 50 40 DGGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(F)c1 137721 ZQVDLSNAWHEIOG-VSMYLPJWSA-N 320.751 3.397 50 40 DGGB CCOC(=O)[C@]1(Br)CCCC[C@H]1Br 1563645 PFKBMFSALPTIHN-APPZFPTMSA-N 314.017 3.021 50 40 DGGB COc1ccc(O)c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c1 3241680 PBRQEXKWRUASAX-BMKJPTANSA-N 314.385 3.003 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1 52410941 SPKVWJQJYZKXFV-LICLKQGHSA-N 309.281 3.105 50 40 DGGB O=C(CCCC[C@@H]1CCSS1)NCCc1ccncc1 96115707 IBDYLYOEAFCSLC-CQSZACIVSA-N 310.488 3.454 50 40 DGGB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccco2)c1C 5009826 QWYVDAOROVSJKB-WQLSENKSSA-N 312.325 3.191 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)cc1 59444017 DXPKBQRXVAFYPF-VXLYETTFSA-N 306.369 3.023 50 40 DGGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 59503428 DNBFNDZPTMUATH-UDWIEESQSA-N 323.396 3.207 50 40 DGGB CC(=O)c1ccc(-c2nnc(SCCCCl)n2C)cc1 199735647 QAZRKRIFHKECGL-UHFFFAOYSA-N 309.822 3.406 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C 408825674 DUIYSAMSHHFRNY-VCHYOVAHSA-N 311.341 3.284 50 40 DGGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2sccc2C)cc1 357455 XCTXXJFOIHVSRJ-LICLKQGHSA-N 315.398 3.169 50 40 DGGB Cc1cc(F)ccc1OCC(=O)Oc1ccc([N+](=O)[O-])cc1 1732359 IMTBXOUCSRHVML-UHFFFAOYSA-N 305.261 3.027 50 40 DGGB C[C@H](Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3268170 GQBVWUUWPDPPOO-ZETCQYMHSA-N 311.750 3.284 50 40 DGGB CCCCS/C(=C(/C#N)C(N)=O)c1cc2c([nH]1)CCCC2 3957219 FQOLJHJIJJBTRH-QINSGFPZSA-N 303.431 3.147 50 40 DGGB C[C@H]1CCc2sc(C(=O)NN=C3CCSCC3)cc2C1 46590014 JHCJFCWOVCHJLJ-JTQLQIEISA-N 308.472 3.486 50 40 DGGB CCC[C@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1 72220091 IJOHPRQLWNRXQU-QMMMGPOBSA-N 303.200 3.474 50 40 DGGB O=N[C@H]1[C@@H]2C[C@H]([C@H]3C[C@H](Cl)[C@H](Cl)[C@@H]32)[C@H]1Br 104362777 XTPIJABDTQDDCM-UYXHWWNMSA-N 313.022 3.386 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1cc2cccc(OC)c2o1 408969181 ISMUOBUEHXSEQU-YBFXNURJSA-N 324.336 3.214 50 40 DGGB N#C/C(=C/c1cccc(OCC(=O)O)c1)c1ccc([N+](=O)[O-])cc1 409065038 KOEFIGVKCYSRFL-ZSOIEALJSA-N 324.292 3.122 50 40 DGGB Nc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 136367 HCYNDHAPUOWOGE-QGMBQPNBSA-N 308.168 3.340 50 40 DGGB O=C(N/N=C/c1ccccc1O)c1ccc(Cl)cc1Cl 244853 IYMICKKRYWWXOI-CAOOACKPSA-N 309.152 3.463 50 40 DGGB N#CSc1ccc(NC(=O)CCl)c(Br)c1 3369828 SWJHLOZLWIGZAA-UHFFFAOYSA-N 305.584 3.200 50 40 DGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Cl)s1 33393481 JHGRFXFJXWAHJF-NVNXTCNLSA-N 323.761 3.003 50 40 DGGB C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccccc1O 101580764 VYLFQKDPEGITIV-UDWIEESQSA-N 305.337 3.094 50 40 DGGB COc1cc(C(=O)N/N=C2/CCCC[C@@H]2C)cc(OC)c1OC 105489028 VOXTXFRXQUNHIY-AFSRSGBESA-N 320.389 3.008 50 40 DGGB CCN(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CCl 242554623 MPPPTDORYNZRSE-CVEARBPZSA-N 308.853 3.175 50 40 DGGB Cc1ccccc1OC(=O)NN=C1CC(C)(C)NC(C)(C)C1 5756289 HPLIKUOSZQFTCW-UHFFFAOYSA-N 303.406 3.380 50 40 DGGB CCCC(=O)NNc1nc(-c2ccc(NC(C)=O)cc2)cs1 13899433 AZNDCZIXFSWFOL-UHFFFAOYSA-N 318.402 3.012 50 40 DGGB COC(=O)[C@H](Br)Cc1ccc(C(F)(F)F)cc1 49922752 LZMQOEJHOIFBEV-SECBINFHSA-N 311.097 3.184 50 40 DGGB in-vitro CC(C)N(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)CCl 79393745 YPFWTMLWQAOOOO-KRWDZBQOSA-N 322.880 3.374 50 40 DGGB CCCCCC/C=N\NC(=O)C(=O)N/N=C/CCCCCC 104376264 PEEXFVRREBODPI-SIJTWYJSSA-N 310.442 3.131 50 40 DGGB CCc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 409366174 YOZNAWCVNWALNW-FYJGNVAPSA-N 305.381 3.423 50 40 DGGB Cc1ccc(C)c(-c2cc(C(=O)NN)nn2-c2ccccc2C)c1 59472477 NAJWXZSUYZYSPP-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc(F)cc1 1569435 MVEKABPUQNQKHP-UHFFFAOYSA-N 308.312 3.054 50 40 DGGB N#CC(C#N)=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59399057 JKHOXIDAJISJHI-UHFFFAOYSA-N 319.276 3.245 50 40 DGGB C[C@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 101051095 DCDNKSJBRIJYEC-YIKMNZTOSA-N 310.029 3.150 50 40 DGGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C/C=C1\OC=CN1C 214703544 OUIJMYJVMYRODU-CFHUUHQZSA-N 304.390 3.471 50 40 DGGB Cc1oc(/C=N/NC(=O)Cc2ccccc2)cc1Br 59437011 OWURXCCIUQQYJE-CXUHLZMHSA-N 321.174 3.043 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 252503995 VHSNUTNRTWSYES-FLIBITNWSA-N 312.281 3.243 50 40 DGGB CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2cc(C)ccc21 260616351 IYCXPPWOUSHEPC-INIZCTEOSA-N 301.434 3.011 50 40 DGGB Cn1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c2ccccc21 493459 OUZXXCIDPGMJSI-UFFVCSGVSA-N 316.364 3.424 50 40 DGGB COc1cccc2sc(NNC(=O)c3cccc(F)c3)nc12 4121308 PEYXWGDETQENCK-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB C[C@]1(C(=O)OCCCCBr)CC1(Cl)Cl 5530932 CSRKDZKZOVYIAK-MRVPVSSYSA-N 304.011 3.289 50 40 DGGB C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc2ccccc2c1 13322318 HLCQYBPCESQNCB-UDWIEESQSA-N 320.348 3.405 50 40 DGGB COc1cccc(/C=N/NC(=O)CCSc2ccccc2)c1 59473724 BSFFONRVUZCVNM-QGOAFFKASA-N 314.410 3.328 50 40 DGGB C/C(=N\NC(=O)[C@H]1[C@H]2CCCC[C@]12C)c1cccc([N+](=O)[O-])c1 100177026 LQXXVXKKVXXJSS-JFALAVHASA-N 315.373 3.261 50 40 DGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(O)c1 408761605 GWVQVZQGKTWGMO-KEBDBYFISA-N 322.286 3.104 50 40 DGGB CCc1ccc(CC(=O)N/N=C/c2cn(C)c3ccccc23)cc1 409361685 CXZRBEXSARFMTI-FYJGNVAPSA-N 319.408 3.434 50 40 DGGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 3149549 FEIYHYMADGEYCM-DEDYPNTBSA-N 311.385 3.212 50 40 DGGB CC(C)CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1 3335372 CRGYHEVUQFTHIN-UDWIEESQSA-N 311.385 3.270 50 40 DGGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2O)c1 5980548 ABECRVIRDAWDDY-GXDHUFHOSA-N 308.337 3.337 50 40 DGGB CC(C)CC(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 10160331 GTJIGFPXCAECSB-UHFFFAOYSA-N 312.369 3.286 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 13477470 NVQHPGOTTFSGEK-LJNFXEMMSA-N 323.352 3.239 50 40 DGGB Cc1ccc(NC(=O)[C@@H](C)Cl)cc1I 37007056 YBCPLBRSGBAJDI-SSDOTTSWSA-N 323.561 3.165 50 40 DGGB O=C1C=C(NNC(=O)c2ccc(-c3ccccc3)cc2)CCC1 59489070 HCTNKAJTVHRDRO-UHFFFAOYSA-N 306.365 3.225 50 40 DGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)c1 408764007 VNPHUERPCPURJJ-GDNBJRDFSA-N 320.348 3.443 50 40 DGGB O=C(Nc1cccc2c1[C@H](O)c1ccccc1-2)C(Cl)Cl 5049561 XZHBOOIKHIYDDA-CYBMUJFWSA-N 308.164 3.491 50 40 DGGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 5750204 UERQSTGWHNJKQZ-CAOOACKPSA-N 309.152 3.463 50 40 DGGB Cc1ccc(-n2nc(C)c(/C=N/NC(=O)C3CC3)c2Cl)cc1 6942962 VXXJQMYWCWFCPW-GIJQJNRQSA-N 316.792 3.003 50 40 DGGB CN(NC(=O)COCc1ccccc1Cl)c1ccccc1 45007320 FJDLQTRQIFAISS-UHFFFAOYSA-N 304.777 3.024 50 40 DGGB N#CSc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 8843811 CVNHZPLYTOJUPJ-ZDUSSCGKSA-N 310.378 3.450 50 40 DGGB COc1ccccc1S(=O)(=O)SC(Cl)(Cl)Cl 1760567 FJPFFIPXQTXQQD-UHFFFAOYSA-N 321.634 3.445 50 40 DGGB CC(C)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 408869462 SFDGOIJTSCPPEB-YBFXNURJSA-N 312.369 3.191 50 40 DGGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(F)c1 8752318 NZPJNGJZLVICLG-QWRGUYRKSA-N 320.345 3.004 50 40 DGGB CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB(CCCBr)O[C@@H]1C2 195891340 IFWLNKNUIWTYGB-KQXIARHKSA-N 301.033 3.500 50 40 DGGB O=C(N/N=C(/c1ccccc1)c1cccs1)c1ccncc1 42541 UKXBECBFLZSJIY-MNDPQUGUSA-N 307.378 3.326 50 40 DGGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc2ccccc12 1705483 BLLAVUBZWAGPGG-YBFXNURJSA-N 306.321 3.015 50 40 DGGB CC(C)CC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 4588141 JNCXHXXGEDGIRR-UHFFFAOYSA-N 310.397 3.012 50 40 DGGB CC/C(=N\NC(=O)COc1ccccc1C)c1ccc(O)cc1 5727600 FQBASSOHFXWNND-KNTRCKAVSA-N 312.369 3.010 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 9190555 PIPHXNPPRDFWMN-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB Cc1ccc(C(=O)[C@@H](Br)CBr)cc1 306834130 PERABOKURNBNKI-VIFPVBQESA-N 305.997 3.336 50 40 DGGB O=C(O)C1(P(=O)(c2ccccc2)c2ccccc2)CCCC1 502113 PDYIYHANTHCYMG-UHFFFAOYSA-N 314.321 3.398 50 40 DGGB N#CC1=C(N)OC2=C(COc3ccccc32)[C@@H]1c1cccc(F)c1 4178566 CUZHCRAHHHCPEP-QGZVFWFLSA-N 320.323 3.437 50 40 DGGB Cc1ccccc1/C=N/NC(=O)c1cncn1-c1ccc(F)cc1 8046304 KKLQVSTWLGLEBM-UFFVCSGVSA-N 322.343 3.084 50 40 DGGB COc1cccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)c1OC 409062272 RAAPYJULTKZIDZ-IUTFFREVSA-N 324.380 3.176 50 40 DGGB Cc1cccc(N2C(S)=C(C#N)C(=O)NC23CCCCC3)c1 352239 VVNHMRWOYBFSMA-UHFFFAOYSA-N 313.426 3.257 50 40 DGGB C=CCn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21 573271 UKWZNPSZQIWOKP-CIAFOILYSA-N 318.380 3.173 50 40 DGGB COc1cccc2sc(NNC(=O)c3ccc(F)cc3)nc12 4121307 YWZZFSFMGTZECK-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB COc1ccccc1/C=N/NC(=O)CSCc1ccccc1 5361769 OROAWQCJUFDHLJ-WOJGMQOQSA-N 314.410 3.079 50 40 DGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1 5598596 QAXNXYXFHCAABZ-FOWTUZBSSA-N 320.348 3.409 50 40 DGGB O=C(N/N=C/c1ccco1)c1cc2cc([N+](=O)[O-])ccc2s1 6322450 MWQLOPOUOZSQFO-OVCLIPMQSA-N 315.310 3.166 50 40 DGGB CC[C@@H](C)/C(C)=N/NC(=O)CSc1nc2ccccc2o1 6507994 MGTIKAPCOOTRRI-SIPGVVJPSA-N 305.403 3.458 50 40 DGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2C)cc1 408856583 HQLQFTFSGSVZTL-DEDYPNTBSA-N 309.369 3.107 50 40 DGGB COc1ccc(/C(C#N)=C2/OC(=O)c3ccccc32)cc1OC 1704885 PONIGCCZBFXDMF-SAPNQHFASA-N 307.305 3.266 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 4587785 NVQHPGOTTFSGEK-JQXMUZPYSA-N 323.352 3.239 50 40 DGGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2cccnc2)cc1 5119575 KBOTXFWOSCANGP-XSFVSMFZSA-N 310.401 3.082 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(Cl)s2)cc1 5381567 PJAMEQUOPGHSCQ-LICLKQGHSA-N 322.817 3.493 50 40 DGGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1 7154666 ZCUSWGHYCCDZHN-MHWRWJLKSA-N 322.364 3.057 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)o1 108578835 PUEFWQHWNZYJCA-WXSIJAAESA-N 311.179 3.194 50 40 DGGB CC(C)Oc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 8812331 GUSBKNJKVPHCHI-YBFXNURJSA-N 300.333 3.377 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1450887 LWUYQMZLGORLET-RKPNYOAGSA-N 321.336 3.379 50 40 DGGB Cc1nccc(C(=O)NN(c2ccccc2)c2ccccc2)n1 58363401 HCZWGXDDODALCP-UHFFFAOYSA-N 304.353 3.268 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 4688327 WXGHFLLOOFPANA-DEDYPNTBSA-N 313.376 3.436 50 40 DGGB COc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)c(OC)c1 33654781 BGZIFTBBHIYZPB-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB IC[C@H]1CCCN(Cc2ccccc2)C1 79436743 JBGGMRKIZJCVOD-CYBMUJFWSA-N 315.198 3.334 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1O 5743784 XWDPWWPVIAXVSK-XYOKQWHBSA-N 312.300 3.086 50 40 DGGB N#C/C(=C\c1cccc2ccccc12)C(=O)NC[C@H]1CCCO1 3477253 IHCAZQWSZVYYPG-ABPVARSCSA-N 306.365 3.042 50 40 DGGB Cc1cc2c(cc1/C=N/NC(=O)CC#N)[C@@H](C)CC(C)(C)N2C 208217098 VFAMXZKSXINGLU-HSWQHBDASA-N 312.417 3.081 50 40 DGGB CN1/C(=C(\C#N)C(=O)c2cccc([N+](=O)[O-])c2)Nc2ccccc21 11617371 JELNQBIWUSCHNV-GHRIWEEISA-N 320.308 3.075 50 40 DGGB O=C(O)c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1O 2044275 NTPQYOBJLUIOMI-CYBMUJFWSA-N 305.717 3.009 50 40 DGGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 2216836 HVBWTWVDNQNWMF-CAOOACKPSA-N 321.695 3.151 50 40 DGGB CC1(C)[C@H]2CC=C(/C=N/NC(=O)Cn3cnc4ccccc43)[C@@H]1C2 24036305 XJEUMGMDWPDCAG-ZBQDVAGSSA-N 322.412 3.131 50 40 DGGB CC/C(=N\NC(=O)c1cc(C)oc1C)c1cc(F)ccc1O 57911209 WNCBLSIAWQIQLB-NBVRZTHBSA-N 304.321 3.285 50 40 DGGB Cc1nn(C)c2ncc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc12 96314827 VLVKHEJEMKAADA-NTUHNPAUSA-N 314.352 3.217 50 40 DGGB CCCC[C@@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C 223229039 KTRFOFVJPHDKSI-BBRMVZONSA-N 303.450 3.328 50 40 DGGB O=C(CBr)c1cc(F)c(Br)c(F)c1 261507158 FZZGDFDIXWGENL-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB Cc1ccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1C 408865597 BKMOPUUSFMDPNN-LICLKQGHSA-N 306.365 3.275 50 40 DGGB CC(C)=C[C@@H]1[C@@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 3286621 MQNYUOGAJXCNIN-MSPMVYFSSA-N 315.373 3.283 50 40 DGGB Cc1ccc2nc(-c3ccccc3)c3c(c2c1)C(=O)OC(=O)C3 102510214 DIDAEJGDNDCFRJ-UHFFFAOYSA-N 303.317 3.450 50 40 DGGB N#CC(C#N)=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 408864467 WARVULJEXUPBPQ-UHFFFAOYSA-N 304.305 3.394 50 40 DGGB O=[N+]([O-])[C@@H](Br)[C@@H](Br)c1ccccc1 1733922 DNKILUKMZPEIEV-JGVFFNPUSA-N 308.957 3.120 50 40 DGGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 3149945 BBPWLXKPDLXRSO-UOBPLZBXSA-N 310.397 3.168 50 40 DGGB COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1OC 5259717 SNCZXLYGPDXXKU-GXDHUFHOSA-N 324.384 3.086 50 40 DGGB COc1ccc(-c2csc([C@H](C#N)C(=O)CCl)n2)cc1 13655193 OXBXYCXHOUKDMY-LLVKDONJSA-N 306.774 3.234 50 40 DGGB C/C=C1\C[N+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)N(C)c1ccccc14 32124376 LUFYNCYNXSSUJL-KYEDHNSDSA-N 321.444 3.026 50 40 DGGB COc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 57413916 KCUFZHZNBVFARE-OUKQBFOZSA-N 323.352 3.162 50 40 DGGB Cc1c(C(=O)NN)c2ccccc2n1Cc1cccc(Cl)c1 216946754 GJMBSMFIZTXHCS-UHFFFAOYSA-N 313.788 3.255 50 40 DGGB Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@@H]3c1ccncc1 5337734 OIWVOWJYTDOMQT-MRXNPFEDSA-N 314.348 3.156 50 40 DGGB CN(C)c1ccc(/C=C/C=N/NC(=O)Cc2ccccc2)cc1 3112760 UXNFIKCIKRUKFO-KEAYEENMSA-N 307.397 3.111 50 40 DGGB O=C(N/N=C/c1ccc(F)cc1)c1ccccc1Br 254039 DJAUNZBZGIRQTN-RQZCQDPDSA-N 321.149 3.352 50 40 DGGB O=[P@@]1(N(CCCl)CCCl)OCCN1c1ccccc1 1563288 KKNHWSKPLUHNQL-IBGZPJMESA-N 323.160 3.411 50 40 DGGB COc1ccc(/C=C(\C#N)c2nccn2CC(F)(F)F)cc1O 96295375 OAQVMRKQJJAKQK-IZZDOVSWSA-N 323.274 3.224 50 40 DGGB O=C(N/N=C/c1ccccn1)C(c1ccccc1)c1ccccc1 14014765 WCUOQDGJMCFOMB-PXLXIMEGSA-N 315.376 3.364 50 40 DGGB O=C(Cc1ccccc1)N/N=C(\c1ccccc1)c1cccnc1 370391 VSBFSWHGXIZMMM-BSYVCWPDSA-N 315.376 3.193 50 40 DGGB COc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1O 3963254 OBVLSUMIVCXKLX-RIYZIHGNSA-N 311.337 3.482 50 40 DGGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Cl)cc1 4137135 MFOVAJOUCIPBQC-GFCCVEGCSA-N 315.822 3.019 50 40 DGGB COc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1 5513551 OCQIMIGCTVOMGL-GIJQJNRQSA-N 306.724 3.252 50 40 DGGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C(C#N)=C(N)O1 6232946 HXGMNEDRKJRKSV-OAHLLOKOSA-N 312.369 3.110 50 40 DGGB CCn1cccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 8091034 KKQUHYGGCCJRQG-LICLKQGHSA-N 321.833 3.404 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-])c1ccccc1 59133193 WLJMAPFFVLXPOG-RERGGYADSA-N 321.336 3.379 50 40 DGGB CCOc1ccccc1N/C=C(\C#N)C(=O)NC1CCCCC1 101192754 PYAXWBAEXKXZMB-BUHFOSPRSA-N 313.401 3.354 50 40 DGGB O=C(Cc1cccs1)N/N=C/c1ccc(N2CCCC2)cc1 409197522 HTKNZUIBVKPDGL-QGOAFFKASA-N 313.426 3.041 50 40 DGGB N#CC(C(=O)c1ccc([N+](=O)[O-])s1)=C1Nc2ccccc2N1 381341 ORQNMFKPPQUSFC-UHFFFAOYSA-N 312.310 3.112 50 40 DGGB N[P@](=O)(OCc1ccccc1)N(CCCl)CCCl 2046669 JSZWFLWJWIMZLD-SFHVURJKSA-N 311.149 3.050 50 40 DGGB CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2OC)cc1 5316760 ZOTYLOOIQKJVCC-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C)c1cccc([N+](=O)[O-])c1 4526135 LQXXVXKKVXXJSS-LZSZOYNGSA-N 315.373 3.261 50 40 DGGB IC[C@@H]1CCCN(Cc2ccccc2)C1 79436745 JBGGMRKIZJCVOD-ZDUSSCGKSA-N 315.198 3.334 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1ccc(F)cc1 487162 JXSZIGWSWRNZLG-UFFVCSGVSA-N 324.359 3.178 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 15219386 YEEKZZHPIJRXIP-WJDWOHSUSA-N 320.348 3.327 50 40 DGGB O=S(=O)(c1ccccc1)C1[C@H]2CCC[C@H]1C2Br 100708516 LQMIJFBUGYDFGM-ZSVAQUKISA-N 315.232 3.022 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccccc2Br)o1 263002 JOSNKFMAZYFDJA-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(O)cc1 60473 VADHFWUOIUTGPO-CIAFOILYSA-N 319.364 3.108 50 40 DGGB COc1ccc(C)c2sc(NNC(=O)c3ccccc3)nc12 4121467 WFZHNNXUWLOTDQ-UHFFFAOYSA-N 313.382 3.370 50 40 DGGB C/C(=N\NC(=O)c1cc(O)ccc1O)c1cccc2ccccc12 17055169 LTNOAMXNTGEBLB-UDWIEESQSA-N 320.348 3.405 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc(N3CCCCC3)o2)cc1 408873351 UCCBHZWUYHRYOY-UYRXBGFRSA-N 311.385 3.342 50 40 DGGB O=C(NNC(=S)Nc1ccccc1)c1cc2ccccc2o1 380963 RSUPOTWVHDOVOE-UHFFFAOYSA-N 311.366 3.064 50 40 DGGB COc1cccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-] 1638769 HPSKJZKNKVXTMD-UHFFFAOYSA-N 322.212 3.028 50 40 DGGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCS2 3277953 NLGGXYLSKHSQHJ-UHFFFAOYSA-N 319.835 3.140 50 40 DGGB CC/C(=N\NC(=O)c1cccnc1)c1ccc(OC(F)F)cc1 6528817 ZCQVUSFXTUPDHJ-XSFVSMFZSA-N 319.311 3.227 50 40 DGGB CN(C)C(/C=C/Nc1ccc(C(F)(F)F)cc1)=C(C#N)C#N 1381999 FXVCJWAFKJUBOW-BQYQJAHWSA-N 306.291 3.494 50 40 DGGB CCC[C@@H](C(=O)OCC)/C(C)=N/NC(=O)Nc1ccccc1 4550846 HYWJZUUGPRDZPR-CRRKTRLDSA-N 305.378 3.163 50 40 DGGB Cc1c(NC(=O)CCl)cccc1-c1nc2ncccc2o1 216858034 DLLIRCCVIOONML-UHFFFAOYSA-N 301.733 3.376 50 40 DGGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccco1 573567 YHJZCZFQFFVIJF-VCHYOVAHSA-N 324.292 3.002 50 40 DGGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccnc2)cc1 1319923 LURKTBAPHXNRCZ-PVGUKEHMSA-N 311.385 3.124 50 40 DGGB N#CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1 5027520 GSLZJXDYRJUDOM-UHFFFAOYSA-N 303.277 3.058 50 40 DGGB COc1ccccc1[C@H](CBr)OC1CCOCC1 50480198 URENTZAFECEONT-AWEZNQCLSA-N 315.207 3.327 50 40 DGGB O=C(CCCC[C@H]1CCSS1)NCCc1ccccn1 61476625 QKRXDPXMZFFYHZ-AWEZNQCLSA-N 310.488 3.454 50 40 DGGB biogenic COc1ccc(CC(=O)N/N=C(\C)c2cc(C)ccc2C)cc1 408592596 ZOUUVVRYFXUQSH-HMMYKYKNSA-N 310.397 3.395 50 40 DGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1 6241129 BNEZMFQZWYSZAF-UHFFFAOYSA-N 313.401 3.056 50 40 DGGB CC(C)(C)OC(=O)N1[C@H](/C=C/CBr)COC1(C)C 32297378 LRQFEHKKEOQOPY-VQCYPWCPSA-N 320.227 3.310 50 40 DGGB Cn1c(/C(C#N)=C\c2ccc(C(=O)O)cc2)nc2ccccc21 33936075 CUURSKHDUICBSD-UVTDQMKNSA-N 303.321 3.336 50 40 DGGB [C-]#[N+]C[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 299754524 DVRPTDGPWNRMFN-HNNXBMFYSA-N 306.373 3.472 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1 408755889 SEAHCBHDUAOHLX-PTNGSMBKSA-N 320.348 3.443 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1cc(Cl)ccc1OC 1001390 IFWIGHMXZSXNNG-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1 5070030 UXQOPOMQLXAIDG-GXDHUFHOSA-N 308.337 3.249 50 40 DGGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@@H]1c1cccs1 5808391 ROOOJCXTFPVMSN-CQSZACIVSA-N 309.394 3.133 50 40 DGGB CCc1c(C(=O)N/N=C(\C)c2cc(O)cc(O)c2)csc1C 13322278 QJKCPIGMALVRHM-RQZCQDPDSA-N 318.398 3.184 50 40 DGGB N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CCl)CCCC2 20283119 XVIVXXDZTUSOJT-UHFFFAOYSA-N 313.788 3.405 50 40 DGGB in-vitro COc1cccc(C(=O)Oc2ccc(SC#N)cc2OC)c1 95452372 MGXNMXIEUQFOOQ-UHFFFAOYSA-N 315.350 3.496 50 40 DGGB CC/C(=N\NC(=O)c1ccccc1OC)c1ccc(OC)cc1 359803 JEHVVKAYPQIQLR-KNTRCKAVSA-N 312.369 3.248 50 40 DGGB O=C(Nc1cccc2c1[C@@H](O)c1ccccc1-2)C(Cl)Cl 1713221 XZHBOOIKHIYDDA-ZDUSSCGKSA-N 308.164 3.491 50 40 DGGB CC1(C)CC(=O)C2=C(C1)S[C@@H](c1ccco1)C(C#N)=C2N 5424266 CIERSCDCUDKVGC-OAHLLOKOSA-N 300.383 3.447 50 40 DGGB Cc1occc1C(=O)N/N=C(\c1ccccc1)c1ccccn1 6254696 RBTQLSFMEVZOGB-LVZFUZTISA-N 305.337 3.165 50 40 DGGB COc1ccc(OCC(=O)NN=C2CCCCCCC2)cc1 8182491 NALJYHRAUFABRB-UHFFFAOYSA-N 304.390 3.291 50 40 DGGB Cc1nn(C)c2sc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc12 8723842 IQEBRZNCELFPCF-UHFFFAOYSA-N 317.326 3.071 50 40 DGGB C/C(=N/NC(=O)[C@@H]1CC12CCC2)c1ccc(Br)cc1 13476336 GYHAHKDENJCDDA-NWRYFCBHSA-N 321.218 3.480 50 40 DGGB CC(C)(C)OC(=O)[C@@H](Br)CCCBr 136172063 JUVHEXHAOZLCCE-ZETCQYMHSA-N 316.033 3.267 50 40 DGGB Cc1cccc(C(=O)[C@@H](Br)CBr)c1 307328850 KVXVDAFDHQCPKN-VIFPVBQESA-N 305.997 3.336 50 40 DGGB Cc1cccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)n1 31147 RECBFYWESZSLKD-CIAFOILYSA-N 318.380 3.105 50 40 DGGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC)ccc21 7516686 YCQVXGTZFUBBHV-GOSISDBHSA-N 322.364 3.312 50 40 DGGB O=C(O)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1 103556478 JGTBPJIBSQZQQM-UHFFFAOYSA-N 322.300 3.024 50 40 DGGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 2768254 ZDLZTWYLHBFQRE-NBVRZTHBSA-N 319.408 3.018 50 40 DGGB N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(Cl)cc1 3247388 HLNVCCSBAHFCRY-NTEUORMPSA-N 312.756 3.269 50 40 DGGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 23724032 FCHIBAJFMJDCBH-SFQUDFHCSA-N 318.376 3.451 50 40 DGGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 5739742 YEJZZZKKFYERHH-ZSOIEALJSA-N 313.788 3.401 50 40 DGGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)=C(N)N1 237720 XIGXYWJUTMIUGJ-CYBMUJFWSA-N 316.817 3.209 50 40 DGGB Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C\c2cccs2)c1 11582377 JUUCJQFTSNXGKF-OMJMQIJPSA-N 302.399 3.283 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 255200613 UFHLWCYGUWGYCB-GXDHUFHOSA-N 324.311 3.158 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1 408787823 GTONPRUZGJMGTD-JXMROGBWSA-N 302.717 3.487 50 40 DGGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(C)cc1C 409372010 XSSVDARCIFZUIJ-HMMYKYKNSA-N 301.434 3.066 50 40 DGGB O=C(NNC(=O)c1sccc1-c1ccccc1)c1ccco1 23989556 CTTPHCDCKVVABG-UHFFFAOYSA-N 312.350 3.083 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 4502038 VLKIUIYKKRYCDG-XYOKQWHBSA-N 323.304 3.087 50 40 DGGB CN(NC(=O)c1ccc(Br)cc1)c1ccccc1 14240272 JSNXSLNTXQFNOY-UHFFFAOYSA-N 305.175 3.230 50 40 DGGB N#CCn1cc(/C=N/NC(=O)c2cccc(F)c2)c2ccccc21 33770745 YIPCCNXTRSVOCC-SRZZPIQSSA-N 320.327 3.068 50 40 DGGB O=C(CBr)c1ccc(F)c(OC(F)(F)F)c1 98210695 XZOFIQKBXXPGNJ-UHFFFAOYSA-N 301.033 3.302 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Cn2ccc3ccccc32)cc1 14775778 QLGUJWLATJZSNJ-XSFVSMFZSA-N 321.380 3.190 50 40 DGGB COc1ccc(CC(=O)N/N=C(/C)c2ccccc2Cl)cc1 32564184 ZJGPJJFSMMUTSW-UNOMPAQXSA-N 316.788 3.432 50 40 DGGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccnc1 567307 YJVRSOKDMOFAOT-HPAYWCODSA-N 319.817 3.366 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OC 2758974 MBGKLVAFRGOQGO-WOJGMQOQSA-N 316.357 3.149 50 40 DGGB Cc1noc(C)c1/C=N/NC(=O)CC12CC3CC(CC(C3)C1)C2 7061804 CZDZNGRCSZZTPV-VXLYETTFSA-N 315.417 3.348 50 40 DGGB O=C(CCl)Nc1cc(C(F)(F)F)ccc1N1CCCC1 8428171 KZVYGCDAJGPKDS-UHFFFAOYSA-N 306.715 3.483 50 40 DGGB O=C(N/N=C/C=C/c1ccco1)c1cccc(Br)c1 13844399 LXFXOSFRRZEFOS-DFNGEEKMSA-N 319.158 3.471 50 40 DGGB CCCC[C@H](CC)CNC(=O)NNC(=O)c1ccc(C)cc1 29327542 SYLHOIRPVGYVLZ-AWEZNQCLSA-N 305.422 3.155 50 40 DGGB Cc1cc(C)c(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)c1 408964597 CWJGIACVZSIHRS-UFFVCSGVSA-N 309.344 3.387 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 512014 YUOPEFFLIQPRCF-FYJGNVAPSA-N 319.408 3.488 50 40 DGGB C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)C(=O)N1CCCCC1 574661 TWCKOLIAVDJCPL-IQGJIOQQSA-N 308.381 3.313 50 40 DGGB NNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 523414 RGFDEPNJLBUXKB-UHFFFAOYSA-N 323.761 3.003 50 40 DGGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1 4481164 POMGHDAMKWRHBJ-LDTXJDIMSA-N 308.337 3.234 50 40 DGGB O=C(O)c1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1 31672186 NEVLHSSRRDCGKU-NDENLUEZSA-N 318.332 3.302 50 40 DGGB CCOc1cc(C=O)ccc1OCCCCBr 43465067 CJBJTYYLJWXJHF-UHFFFAOYSA-N 301.180 3.452 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)c2cccc(OC)c2)c1 59445238 AUXUCUDYMAFPII-CPNJWEJPSA-N 310.353 3.024 50 40 DGGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 96663189 IXJQORVZLFBIAB-MEANVHSLSA-N 311.429 3.354 50 40 DGGB CCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 255847061 QSRDFDKAHRMQLG-WQRHYEAKSA-N 307.397 3.348 50 40 DGGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OC 6945052 OTPLOPJYZOKFMX-UVTDQMKNSA-N 314.385 3.060 50 40 DGGB CC(=O)N(/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 5243295 ZHEFROITEOVLLP-MHWRWJLKSA-N 318.358 3.137 50 40 DGGB COC(=O)COc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1 33329450 KYECOJOMURBFCI-YVLHZVERSA-N 318.332 3.174 50 40 DGGB COC(=O)[C@H](Cl)C(Cl)(C(Cl)Cl)C(Cl)Cl 140145028 NPOWLNLEDCXEFB-REOHCLBHSA-N 322.830 3.352 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 5282506 KMWAHLOZZBVMDN-JKMYOGEHSA-N 321.424 3.397 50 40 DGGB CCOC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2)c1C 6784340 DQGRQAMNSKLOBZ-MHWRWJLKSA-N 309.369 3.018 50 40 DGGB Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)oc2ccccc12 358077 UTNSXCSJNBDBKQ-VCHYOVAHSA-N 323.308 3.413 50 40 DGGB O=C(N/N=C/c1cccc(Br)c1)c1ccccc1 495825 UYQGXLVWJRZIPK-MHWRWJLKSA-N 303.159 3.213 50 40 DGGB CC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2cccs2)c1 569149 RAWFPIVJJZYHAB-NSHDSACASA-N 318.398 3.000 50 40 DGGB CC(C)=C[C@]1(C)NC(=O)C(C#N)=C(S)N1c1ccc(C)cc1 4513991 KLUYWZRUBRTDAJ-QGZVFWFLSA-N 313.426 3.279 50 40 DGGB COc1ccccc1C(=O)N/N=C/c1cccn1-c1ccccc1 59250016 VYMOBTZGETXOPT-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB ClCCN(CCCl)c1ccc(C[n+]2ccccc2)cc1 1631315 PFTSZGRFWBYRBD-UHFFFAOYSA-N 310.248 3.306 50 40 DGGB Clc1nc2ccccc2nc1CI 1727742 LUQLSNWURHZKSL-UHFFFAOYSA-N 304.518 3.218 50 40 DGGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1 141107 NPRWJWZHAWNXLQ-NTCAYCPXSA-N 320.348 3.409 50 40 DGGB C#CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1 15932303 NZEIDINKCMGIDR-UHFFFAOYSA-N 302.289 3.167 50 40 DGGB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC=C(C#N)C#N)C1 32585155 XAMJXLNUCGHYDY-KBPBESRZSA-N 308.385 3.148 50 40 DGGB Cc1cccc2c1N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260622282 SORKIPYBARMIAV-HIFRSBDPSA-N 303.450 3.102 50 40 DGGB CC(=O)N/N=C(/c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 572120 ZQFCAQXOLWVTHT-SDXDJHTJSA-N 317.732 3.137 50 40 DGGB CCC[C@H](C(=O)NNC(=O)c1cc(C)oc1C)c1ccccc1 3538466 FMTQVUIBSJGEBK-HNNXBMFYSA-N 314.385 3.241 50 40 DGGB C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)Cc1ccccc1 4680499 WNXVNFVDSGCOOF-RCCKNPSSSA-N 323.396 3.058 50 40 DGGB CC(=O)Nc1ccc2nc(NC(=O)CCCCl)sc2c1 20133658 KYHKHIQNEHLTAG-UHFFFAOYSA-N 311.794 3.212 50 40 DGGB COC(=O)c1cc(Br)cc2nc(CCl)oc12 43827672 DXKPKZOXRHNVRR-UHFFFAOYSA-N 304.527 3.116 50 40 DGGB COc1ccc(Cn2ncc([N+](=O)[O-])c2C(Cl)Cl)cc1 97947790 ZSSCAUFSZONPPT-UHFFFAOYSA-N 316.144 3.324 50 40 DGGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(Cl)cc1 409350297 ROWKSZMVGUGWMV-RGVLZGJSSA-N 319.767 3.431 50 40 DGGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1 5753976 KMANAZXTQZMZCZ-NTEUORMPSA-N 307.309 3.449 50 40 DGGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc(Cl)cc1Cl 33295140 JGXCBOXCQSDNHM-ZDLGFXPLSA-N 324.211 3.415 50 40 DGGB Cc1cc(C)c2nc(CN(CCCl)CCCl)[nH]c2c1 50539030 KZWHGQRTTYBEJU-UHFFFAOYSA-N 300.233 3.459 50 40 DGGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 409065953 ODKFVXBWOIRPKJ-BUJDNCMTSA-N 309.325 3.067 50 40 DGGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 1098723 WBPVEDRDVREILT-KKJJYVQDSA-N 300.745 3.209 50 40 DGGB O=C(CCCl)OC1C[C@@H]2CC[C@@H](C1)N2CCc1ccccc1 100921512 YKPJJXAZTXLWLB-HOTGVXAUSA-N 321.848 3.397 50 40 DGGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)cc1 4132399 RFWXYUQKSIOKGQ-YBFXNURJSA-N 312.369 3.159 50 40 DGGB COc1cc(C(=O)N/N=C/C2CCCCC2)cc(OC)c1OC 6453698 BZFXIRWRPLASBS-WOJGMQOQSA-N 320.389 3.008 50 40 DGGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(C)C)cc2)c1 343235 FZJBQNXLQIQZOV-UDWIEESQSA-N 324.380 3.320 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 4587786 NVQHPGOTTFSGEK-AKLVUOHOSA-N 323.352 3.239 50 40 DGGB CCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC 5250104 NZCVBXLKUWLCOP-SFQUDFHCSA-N 320.393 3.081 50 40 DGGB COc1ccc(C(=O)N/N=C/c2cccn2-c2ccccc2)cc1 59678982 CWJAEHWDERQGKH-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1O 3247397 XVGMPGFXALRMAL-BVTUPMQUSA-N 322.364 3.185 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1O 5527246 SWZQCZDAJLWZQL-UDWIEESQSA-N 320.348 3.318 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-] 5942711 RNBQWTGIZMSAKI-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB CC(C)/C=N/NC(=O)CCCCCCCC(=O)N/N=C/C(C)C 15922190 DVWRBHKEYCPFKI-KLCVKJMQSA-N 324.469 3.233 50 40 DGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@@H]1C2 44790599 WJZYVSLLOSZEAC-PQEHDXSUSA-N 315.373 3.066 50 40 DGGB C[C@@]1(CBr)CSc2sc3ccccc3[n+]21 496146 WACWFMMZDKTJNV-LLVKDONJSA-N 301.254 3.405 50 40 DGGB C/C(=N/NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)o1 408957822 WJNZKXIKQPCAQN-JXAWBTAJSA-N 300.358 3.124 50 40 DGGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1cccs1 2748555 ZQFWRVKJQPYSCK-QAEAHILHSA-N 317.414 3.098 50 40 DGGB COC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 4083784 PQPAZVHTWXRBHM-YBFXNURJSA-N 307.353 3.380 50 40 DGGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(N)=S 408544217 UFHFYXBXAPHJAE-CLTKARDFSA-N 306.188 3.123 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(O)c1 408879350 FTPNUMMCDFHRIZ-NTEUORMPSA-N 308.337 3.255 50 40 DGGB N#C/C(=C/c1cccc(F)c1)C(=O)NCCCc1ccccc1 409248121 KBGLFSKMBYHCOM-ATVHPVEESA-N 308.356 3.482 50 40 DGGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1 6153419 ZKHBYLDQMWNORY-RUDMXATFSA-N 314.253 3.122 50 40 DGGB O=C(O)c1ccccc1/C=N/NC(=O)c1cccc2ccccc12 6283511 RSBYEUOJLBIHIS-UDWIEESQSA-N 318.332 3.302 50 40 DGGB CN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)CCC#N 5509815 WTBCQEWETKYGQZ-KTKRTIGZSA-N 323.183 3.185 50 40 DGGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)NC1CCCC1 38704586 LKRBUUJJGXPINI-OWBHPGMISA-N 313.401 3.236 50 40 DGGB N#CC(C#N)=Cc1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541170 FDQDYUVAUGSGPM-UHFFFAOYSA-N 317.304 3.411 50 40 DGGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 39486031 FPEUQKOOQUQUJC-WQLSENKSSA-N 311.272 3.280 50 40 DGGB BrCCN(CCBr)Cc1ccccc1 95832254 NOCFCCNGOFVBDJ-UHFFFAOYSA-N 321.056 3.278 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 5384679 GMVLKEGVUNPCRC-PQFHHTBUSA-N 324.380 3.100 50 40 DGGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@]21C)c1cccc([N+](=O)[O-])c1 101357652 LQXXVXKKVXXJSS-FUFFXPOBSA-N 315.373 3.261 50 40 DGGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 377699 YSQMMZBSBUQRJZ-KRWDZBQOSA-N 309.344 3.110 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 5712633 VEGUFYAFSGHOSM-NBVRZTHBSA-N 320.392 3.351 50 40 DGGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 6538127 LEEHSIOGMZXADS-CZIZESTLSA-N 308.381 3.479 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)s1 7385696 FHJFCIBTIMQCHB-LDADJPATSA-N 313.426 3.421 50 40 DGGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccoc1 8748224 VOZSBXZMWUNREI-CYBMUJFWSA-N 322.345 3.073 50 40 DGGB N#CSc1c(Cl)cc(C(=O)N2CCOCC2)cc1Cl 59842963 RPCZBOSPOKKNLZ-UHFFFAOYSA-N 317.197 3.039 50 40 DGGB COc1ccccc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409237842 JWVBUBABJRNVNL-JXAWBTAJSA-N 320.392 3.351 50 40 DGGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N1CCCC1 409368279 WQFUCQXXIUIGEM-UKTHLTGXSA-N 304.777 3.268 50 40 DGGB C[C@@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 3885261 JRHZXAKCQLYIKS-SECBINFHSA-N 313.740 3.028 50 40 DGGB Cc1ccc(S(=O)(=O)n2cc(/C=C\C#N)c(/C=C/C#N)c2)cc1 17212708 KVVBLFSWIGOMAK-VOERYJCWSA-N 323.377 3.107 50 40 DGGB O=C([C@H](Cl)c1ccccc1)N1CCN(c2ccccc2)CC1 5672766 QJKGLVDCFOSXEJ-QGZVFWFLSA-N 314.816 3.315 50 40 DGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccncc1 267408 HBNZXSCHZJEFCU-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(O)c(O)c1 238859 RXHIFUVKYHHRTN-YBFXNURJSA-N 306.321 3.015 50 40 DGGB CO/N=C1/C(C)(C)C(C)(C)C(C)(C)[C@]1(C)SS(=O)(=O)O 1725096 HUMCGGJCMKJQLW-CKXDQPNJSA-N 323.480 3.376 50 40 DGGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916577 ILYCMGZFMQDAAP-GOSISDBHSA-N 322.364 3.399 50 40 DGGB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(Cl)c(CCl)c12 12394385 COWKZUWLYVXPHW-UHFFFAOYSA-N 308.168 3.414 50 40 DGGB CCn1cc(/C(C)=N/NC(=O)c2oc3ccccc3c2C)cn1 65997462 KAQGVBQYAIZCCR-XDHOZWIPSA-N 310.357 3.112 50 40 DGGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1 1001383 JJKMCIBFGARHQB-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB C[C@@H]1CCc2c(sc(NC(=O)C(Cl)Cl)c2C#N)C1 4040816 RLMATJQOGFRTCM-ZCFIWIBFSA-N 303.214 3.487 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1Cl 6033663 JDJHFUNPXBCPNO-QGMBQPNBSA-N 316.744 3.141 50 40 DGGB CCc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1 6561691 NOIXKSKXKFSWPJ-UHFFFAOYSA-N 302.418 3.371 50 40 DGGB Cc1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1ccccc1 6812637 LLKLXVHZAYWYGV-WJDWOHSUSA-N 320.348 3.084 50 40 DGGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cccc(Cl)c1 6890249 AZEIEMLIRDZXKI-QUYZQLMHSA-N 316.788 3.304 50 40 DGGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 34914372 JBILSRBQBSADGM-VKRGHRGVSA-N 313.357 3.197 50 40 DGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 59259 YEIJKFUDXKQNNX-INIZCTEOSA-N 312.369 3.065 50 40 DGGB O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Br)o1 4113227 PUEFWQHWNZYJCA-KQPCFUPKSA-N 311.179 3.194 50 40 DGGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)c1cccs1 7211640 SENZRKPKJOHSRE-XYOKQWHBSA-N 313.334 3.001 50 40 DGGB O=C(CCCC[C@H]1CCSS1)NCCCn1ccnc1 61470713 XBUIDQYKVLUIJF-ZDUSSCGKSA-N 313.492 3.104 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101158334 ANRXFLOWYGRAPO-JQPCTGOMSA-N 315.373 3.445 50 40 DGGB CO[C@H](C(=O)N/N=C(C)/C=C/c1ccccc1O)c1ccccc1 5222305 LRBALUGZJAAPDE-ZRCJBFSBSA-N 324.380 3.285 50 40 DGGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1cccc2ccccc12 6270089 LYAMCDUNUBLPMH-UHFFFAOYSA-N 323.312 3.292 50 40 DGGB C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846164 MUIQTJTZPHPQKB-SFHVURJKSA-N 319.364 3.052 50 40 DGGB O=C(CCSc1ccccc1)N/N=C/c1ccccc1F 59473186 XRMVMTHXXURDTN-LDADJPATSA-N 302.374 3.458 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCC2)o1)c1cc2ccccc2o1 408813042 DKCGJSIMVMUNRS-UNOMPAQXSA-N 323.352 3.390 50 40 DGGB O=C(NNc1ccccc1)[C@](O)(c1ccccc1)c1cccs1 286962 NFJXKVHURRCZOR-SFHVURJKSA-N 324.405 3.127 50 40 DGGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc(C(C)(C)C)cc1 4714614 RXPUIJGVXUEYMF-HMMYKYKNSA-N 315.461 3.310 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)Cc1ccc(F)cc1 97992019 BCEBMJVETBGVDM-JAIQZWGSSA-N 309.344 3.308 50 40 DGGB COc1cc(/C(C#N)=C/c2ccco2)c([N+](=O)[O-])cc1OC 282392 RGHUNYQKYVSJFP-UXBLZVDNSA-N 300.270 3.269 50 40 DGGB CCOC(=O)/C(C#N)=C\c1c(C)cc(C)c(COC(C)=O)c1C 4471695 ASPGWEYDUUEZCM-NVNXTCNLSA-N 315.369 3.145 50 40 DGGB C[C@@H]1CCC/C(=N\NC(=O)CSc2nc3ccccc3[nH]2)C1 6516617 COCIKJRFVPACDO-FLFDVBNFSA-N 316.430 3.337 50 40 DGGB O=C(CCl)NC1CCC(N(Cc2ccccc2)C2CC2)CC1 79415130 UMFLLXZDHWNLPC-UHFFFAOYSA-N 320.864 3.317 50 40 DGGB IC[C@@H]1CCCN1Cc1ccccc1 79436725 OYXJPVWLDOOCFX-LBPRGKRZSA-N 301.171 3.086 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260625044 YKFIUKZQRJQPMP-HIFRSBDPSA-N 303.450 3.246 50 40 DGGB CC(/C=N/NC(=O)[C@H](C#N)c1ccccc1)=C\c1ccccc1 409205636 RRHMZAIAOOHQQB-YAEHHCDSSA-N 303.365 3.499 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1ccc(F)cc1 3444604 BCEBMJVETBGVDM-RGVLZGJSSA-N 309.344 3.308 50 40 DGGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccsc1 372948 MXJCRXHWVVXHPF-MDKXCRPYSA-N 308.790 3.319 50 40 DGGB N#C/C(=C\C1=Cc2ccccc2OC1)S(=O)(=O)c1ccccc1 912117 UMCNFTWVHVXCQF-GZTJUZNOSA-N 323.373 3.344 50 40 DGGB COC1CCC(/C(C#N)=C/C2CCC(NC(C)=O)CC2)CC1 1735524 JBRSPHKIXKWNSS-LFIBNONCSA-N 304.434 3.336 50 40 DGGB Cc1nc2ccc(NC(=O)NNc3ccccc3)cc2nc1C 408927993 ZHLAYJSAJYLHQZ-UHFFFAOYSA-N 307.357 3.395 50 40 DGGB C=CCOc1ccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)cc1 409009794 BZPBHXMDAJZPJT-XDHOZWIPSA-N 311.385 3.129 50 40 DGGB CN(C)c1ccc(/C=C(\C#N)C(=O)NC2CCCCCC2)cc1 2768114 AUONRMBLUGVZTI-DTQAZKPQSA-N 311.429 3.499 50 40 DGGB O=C(CSCc1ccccc1)N/N=C/c1ccc(F)cc1 6228625 BMABRFYIFXBXDC-VCHYOVAHSA-N 302.374 3.209 50 40 DGGB N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NCc1ccccc1 6495908 SYRKAASWKJUPJP-WQRHYEAKSA-N 316.360 3.229 50 40 DGGB CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CBr 238143851 UXTHOEXKBYNHLE-SSDOTTSWSA-N 300.143 3.026 50 40 DGGB CC(=O)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12 4083294 GAAHAMHIZIOVOU-DEDYPNTBSA-N 321.380 3.190 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12 5925679 NYYJTAPCIPUCPP-MVSRDAAHSA-N 304.777 3.095 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2)cc1 20197868 JAWSVOLSVZVDON-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB C[C@H](/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 6251030 JJYQEGLDMKOGER-RNEAKCBISA-N 311.341 3.043 50 40 DGGB CCOc1cccc(/C=N\NC(=O)c2ccccc2Cl)c1O 30718971 WGOBOJCKIDPJBQ-ZDLGFXPLSA-N 318.760 3.208 50 40 DGGB CCOC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 1712972 HRBNCPXLICKZFA-VIZOYTHASA-N 310.151 3.010 50 40 DGGB N#C/C(=C\c1cccc([N+](=O)[O-])c1O)c1nc2ccccc2[nH]1 36033991 VWWPGZURCHHBTJ-DHZHZOJOSA-N 306.281 3.241 50 40 DGGB C[C@@H](I)C(=O)Nc1ccc(Cl)cc1 72226324 IDWKTUYNANYXCM-ZCFIWIBFSA-N 309.534 3.102 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1 354601 HPYNALDYHYPZGM-RGVLZGJSSA-N 307.353 3.005 50 40 DGGB CC/C(=N\NC(=O)c1cccc(OC)c1)c1ccc(OC)cc1 370827 JENIJENNKFKBET-HTXNQAPBSA-N 312.369 3.248 50 40 DGGB CCN(CC)CC(=O)NN(Cc1ccccc1)c1ccccc1 1820528 XILOWEKACPNHJM-UHFFFAOYSA-N 311.429 3.066 50 40 DGGB CC[C@@H]1CCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1 4545213 BSSVMIACAMVNBY-PETKRDDUSA-N 301.390 3.088 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 15219516 XHPGPACGLDXBQX-WJDWOHSUSA-N 320.348 3.327 50 40 DGGB COC(=O)N/N=C(\C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 21908941 IWLQYPXMAYTGAJ-OQLLNIDSSA-N 319.342 3.403 50 40 DGGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 203559 YJWYVMUFWRYRSD-SFHVURJKSA-N 320.348 3.196 50 40 DGGB C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 3885260 JRHZXAKCQLYIKS-VIFPVBQESA-N 313.740 3.028 50 40 DGGB CC[C@H](C)c1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1 8733023 UOQROBOSBGUCQJ-RYUDHWBXSA-N 310.825 3.272 50 40 DGGB CC/C(=N\NC(=O)CNc1ccc(OC)cc1)c1ccccc1 12574923 VTHCENXSQZJZJZ-LVZFUZTISA-N 311.385 3.038 50 40 DGGB O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cccnc1 33042545 SPJWFLCXRQCZGD-VXLYETTFSA-N 310.744 3.047 50 40 DGGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccccn1 59472773 WXNFAHZGMBXIAE-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(F)cc2)cc1 82068011 ADGKNWKOPGYSMU-YBEGLDIGSA-N 301.342 3.473 50 40 DGGB O=C(N/N=C\c1ccc(O)c(O)c1)c1cccc2ccccc12 106587379 RNXAYAXLRDITLV-ODLFYWEKSA-N 306.321 3.015 50 40 DGGB Cc1cc(C(=O)[C@H](Br)CBr)ccc1F 307223675 ZWOSCTWNFSJNSH-MRVPVSSYSA-N 323.987 3.475 50 40 DGGB CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408825678 BLQKGPKBQZTEPE-VCHYOVAHSA-N 302.761 3.389 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2)c1ccccc1 2758986 SXUIDEQLLLQOEF-WFSQQTBHSA-N 320.348 3.200 50 40 DGGB O=C(Cl)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 57352730 UVSALFXZLHJZON-UHFFFAOYSA-N 305.717 3.330 50 40 DGGB C/C(=N\NC(=O)c1cccnc1)c1cc(Cl)cc(Cl)c1O 5163259 TZGCHJFJBKGYPX-QGMBQPNBSA-N 324.167 3.248 50 40 DGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccsc1 408995497 JRERREUCYGOELM-LSCVHKIXSA-N 312.316 3.460 50 40 DGGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(=O)O)c2)o1 4855938 BWECSMKPTHBPHG-LCYFTJDESA-N 311.293 3.115 50 40 DGGB CC(C)(C)OC(=O)c1ccc(CBr)c([N+](=O)[O-])c1 140908183 HSQTYEUTILRRAO-UHFFFAOYSA-N 316.151 3.445 50 40 DGGB O=C(N/N=C/c1ccc(F)s1)c1ccc(-n2cccc2)cc1 252478775 AUZNPOMGYAROHD-WOJGMQOQSA-N 313.357 3.442 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(C)s2)c1 566345 HSLPAHJTQSYYFW-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 568205 VFCWKWQSHORAKU-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB CCN(CC)C(=NC(=O)Nc1cc(C)on1)C(Cl)Cl 2148337 HITZVYYUWCDZNG-UHFFFAOYSA-N 307.181 3.059 50 40 DGGB O=C(CCCCBr)OCC(=O)c1ccc(F)cc1 3248855 RRLBOMYXSFJIQQ-UHFFFAOYSA-N 317.154 3.117 50 40 DGGB CC(C)NC(=O)C(=O)NN=C1CCCCCCCCCCC1 4699471 DANQIGOHQAHLMW-UHFFFAOYSA-N 309.454 3.288 50 40 DGGB Cc1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc1C 5618046 WICIFYSKAPDGDN-LVZFUZTISA-N 324.380 3.302 50 40 DGGB C/C(=N\NC(=O)c1cccnc1)c1ccc(OCC(C)C)cc1 6528905 ATYALDLVQUHDDX-XSFVSMFZSA-N 311.385 3.270 50 40 DGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCC1CCCC1 8350933 IJBKNRLDAAXIBV-UHFFFAOYSA-N 324.808 3.080 50 40 DGGB Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C\c2cccs2)c1 11582378 JUUCJQFTSNXGKF-NWRYFCBHSA-N 302.399 3.283 50 40 DGGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408967955 SYTMJOKHPQILKM-RGVLZGJSSA-N 312.417 3.394 50 40 DGGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1 568195 KYWMXCGHHLZFSW-RVDMUPIBSA-N 305.337 3.191 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1O 3570332 AOKDSHRSYQNKSK-NTEUORMPSA-N 308.337 3.255 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)c1 96840727 WVJDVGACHMTETK-JYRVWZFOSA-N 323.308 3.155 50 40 DGGB N#CCOc1ccccc1/C=C(/C#N)c1ccc2c(c1)OCO2 409359285 BFIWRYAKRQTZKM-DHDCSXOGSA-N 304.305 3.382 50 40 DGGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1O 213519505 ZCTPKYJQDXYZSC-WDZFZDKYSA-N 320.776 3.020 50 40 DGGB O=C(N/N=C/c1cccnc1)c1cc(C2CC2)nc2ccccc12 139044 AVQQPQKKNPQWTP-CIAFOILYSA-N 316.364 3.271 50 40 DGGB NC(=O)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1 8074342 APQWFBAUDLRILI-ZDUSSCGKSA-N 324.471 3.438 50 40 DGGB biogenic Cc1cccc(C(=O)[C@H](Br)CBr)c1 307328849 KVXVDAFDHQCPKN-SECBINFHSA-N 305.997 3.336 50 40 DGGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1Br 226272750 NQGXKGHXKDPTPM-DTSGLJOZSA-N 319.202 3.377 50 40 DGGB CC(C)(C)c1ccc(O)c(/C=N/NC(=O)Cc2ccccc2)c1 135258 OEWRHXHJIQRULS-DEDYPNTBSA-N 310.397 3.383 50 40 DGGB CC(C)(CO)/N=C/c1ccc(N(CCCl)CCCl)cc1 1702976 XXADBLZLNHMWGT-WOJGMQOQSA-N 317.260 3.160 50 40 DGGB N#C/C(=C/c1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 4361070 YJWQPYBRFYRETP-PTNGSMBKSA-N 311.348 3.390 50 40 DGGB Cc1c(C(=O)N/N=C/c2ccccc2)[nH]c2c([N+](=O)[O-])cccc12 551431 OLHQKFIXIUNOSB-VCHYOVAHSA-N 322.324 3.148 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1450891 RYYNDHCHTCVQJH-XDUBLRSXSA-N 321.336 3.379 50 40 DGGB CCc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 5470703 VEPJUANVIJDGOV-UDWIEESQSA-N 310.397 3.395 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)cc1 5667311 UKWANYPXHOQVCV-XDHOZWIPSA-N 310.353 3.132 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)c(OC)c1 5720335 FTXGBIOBELEQGC-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB COc1cccc(/C=N/NC(=O)CSc2ccc(C)cc2)c1 8515557 NHLAOSUIUXLPDZ-WOJGMQOQSA-N 314.410 3.246 50 40 DGGB COc1ccc([C@H]2CC(=O)C(C#N)=C3Nc4ccccc4N32)cc1 18324880 DCYCTUYAMIUEDS-QGZVFWFLSA-N 317.348 3.376 50 40 DGGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccccc1 33328143 WOWMDKCIDXPORI-OWBHPGMISA-N 307.353 3.425 50 40 DGGB CC(C)OC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCCO2 57838503 PUXNDDQTILSMHX-SDQBBNPISA-N 321.760 3.360 50 40 DGGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccc(C)c(C)c2)c1 59472492 STJITPMXSDTJKQ-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB Cc1ccccc1NC(=O)COc1ccc(C=C(C#N)C#N)cc1 409007748 QQFGHYYBMBSPAS-UHFFFAOYSA-N 317.348 3.443 50 40 DGGB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CCl 79414974 WCORRRASBTWMHK-INIZCTEOSA-N 308.853 3.127 50 40 DGGB N#CC(C#N)=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 40969240 GFBJJYXONRNHNL-UHFFFAOYSA-N 319.276 3.245 50 40 DGGB O=C(Cl)[C@H]1CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12 5124859 AXBRTUZCXKXWGZ-YAJUMTOWSA-N 313.740 3.438 50 40 DGGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(N)=O 6222389 MRBDKXVQTGMNSQ-NTEUORMPSA-N 312.756 3.311 50 40 DGGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(N)=O 97215 PUEJPVYBPSRQOB-NTEUORMPSA-N 312.756 3.311 50 40 DGGB O=C(Nc1ccccc1)[C@@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1 3181837 MYMWHLRCKJIXOV-ZDUSSCGKSA-N 318.716 3.024 50 40 DGGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(O)cc1 3343341 OKEXQNJAHKZAGV-DJKKODMXSA-N 308.259 3.175 50 40 DGGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC1CCCC1 17031150 XQOUWFIUNFYCPL-XYOKQWHBSA-N 304.777 3.314 50 40 DGGB Cc1cc2c(cc1C)N(C(C)(C)C(=O)NN)C(C)(C)C[C@H]2C 260619551 NUZQGPNBDNGMJL-CYBMUJFWSA-N 303.450 3.164 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)OCC(F)(F)C(F)F)cc1 3115833 ZXYAECHRRVORPC-UXBLZVDNSA-N 317.238 3.046 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1cccnc1 5167551 ZREUGGCEXHHQMO-FLFDVBNFSA-N 313.426 3.422 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 5282504 KMWAHLOZZBVMDN-FGCHFJFUSA-N 321.424 3.397 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccncc2)cc1C(C)(C)C 6761888 HGGYCMIELXKHQN-UDWIEESQSA-N 311.385 3.152 50 40 DGGB CCOc1c(CCl)c2c(c(OCC)c1OCC)COC2=O 12411310 KHGDJDVSCPSGQH-UHFFFAOYSA-N 314.765 3.292 50 40 DGGB COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 33424202 YKDZWLUCXTUXSF-WQLSENKSSA-N 312.300 3.086 50 40 DGGB BrCCOc1cccc(OCCBr)c1 100011521 ZAVWZUBXDZDHQR-UHFFFAOYSA-N 324.012 3.234 50 40 DGGB NNC(=O)c1ccc(CC2CCCCC2)n1Cc1ccccc1 226024292 BMZUOJUNTHBZGA-UHFFFAOYSA-N 311.429 3.263 50 40 DGGB CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408771146 DKJBZDTZSLGPNU-ZROIWOOFSA-N 324.336 3.076 50 40 DGGB O=C(O)c1ccc(CNc2ccc(C(=O)CCl)cc2)cc1 1698181 IFXBWJMFWVSFLX-UHFFFAOYSA-N 303.745 3.418 50 40 DGGB N#CC(C#N)=C1[C@H](Br)CCC[C@H]1Br 6361478 ROJAOXRYNBBLKF-HTQZYQBOSA-N 303.985 3.041 50 40 DGGB COC(=O)/C(C#N)=C1\C[C@H](C)CC[C@@H]1C(SC)=C(C#N)C#N 59662374 XCNYYZNYQTZDOL-JUSQLACISA-N 315.398 3.080 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1 3366689 DRRWFMVLJZJQPU-UHFFFAOYSA-N 322.286 3.089 50 40 DGGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 15012243 RTYONPLJMJBKGA-KAMYIIQDSA-N 309.344 3.437 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)O)c2)c1 95943456 RMNRVFLRTKDPJT-XNTDXEJSSA-N 306.321 3.239 50 40 DGGB Cc1c(/C=N\NC(=O)c2ccccc2F)c2ccccc2n1C 408857084 SAGKHJHUROOLLO-JAIQZWGSSA-N 309.344 3.390 50 40 DGGB Cc1cccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 408904055 CYFCEDBXOKHWHM-ZDLGFXPLSA-N 323.308 3.413 50 40 DGGB O=C(NN=C1CCCCCCC1)[C@H]1COc2ccccc2O1 5604784 YASASHJYLBCOHC-MRXNPFEDSA-N 302.374 3.043 50 40 DGGB COc1ccc(Cl)cc1/C=C/C=N\NC(=O)c1ccncc1 16920252 NNSHUPWAPSXPJX-KSBOVRAFSA-N 315.760 3.173 50 40 DGGB CCc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1 5470696 NUFZKENZEUKXCC-UDWIEESQSA-N 310.397 3.395 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1cc(C)ccc1OC 59434008 WKFSZEBUOCKOCK-UHFFFAOYSA-N 319.405 3.015 50 40 DGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccco1 408799805 LKLRFMWBXSOHIZ-JXMROGBWSA-N 302.717 3.487 50 40 DGGB CCCNC(=S)P(=O)(c1ccccc1)c1ccccc1 2577600 IGRLBXRICZDIPM-UHFFFAOYSA-N 303.367 3.285 50 40 DGGB CC1(C)COc2ccc(C(=O)N/N=C\c3ccccc3)cc2OC1 225368178 MQNNEICCYWYROH-JAIQZWGSSA-N 324.380 3.248 50 40 DGGB N#CC(C#N)=Cc1cc(Br)c(N2CCCCC2)o1 408863821 URVVPBIPYULLIV-UHFFFAOYSA-N 306.163 3.463 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1ccc(N2CCCCC2)cc1 564389 QQRCJKYGSYUHBS-LTGZKZEYSA-N 321.424 3.370 50 40 DGGB CCN(C(=O)CCl)c1nc(-c2ccc(OC)cc2)cs1 929076 PBVPDEKVXFHLMB-UHFFFAOYSA-N 310.806 3.410 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)N(CCC#N)c2ccccc2)o1 1769756 CBSHSUUPTHVLEK-NTCAYCPXSA-N 305.337 3.442 50 40 DGGB COc1ccc(C/C(C)=N/NC(=O)c2ccccc2)cc1OC 4694356 IAJPBNWWIWJVMS-CPNJWEJPSA-N 312.369 3.052 50 40 DGGB Cc1ccc[n+](/C(C(C#N)=C(C#N)C#N)=C(/O)c2ccccc2)c1 207035669 VEDVOVKJCKQJHY-VHEBQXMUSA-O 313.340 3.034 50 40 DGGB O=C(CCl)N[C@H]1CC[C@H](N(Cc2ccccc2)C2CC2)CC1 242687542 UMFLLXZDHWNLPC-WKILWMFISA-N 320.864 3.317 50 40 DGGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 585145704 JBILSRBQBSADGM-UWGXRMARSA-N 313.357 3.197 50 40 DGGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccco1 134225 QJOWSVKRVRZCRV-UHFFFAOYSA-N 320.757 3.223 50 40 DGGB C[C@](Cl)(CCl)CS(=O)(=O)c1ccc(Cl)cc1 2042430 MPNJGDGBALUHQN-JTQLQIEISA-N 301.622 3.350 50 40 DGGB CCC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccs1 4651692 NIJDUKQKZFYZDU-SFQUDFHCSA-N 316.382 3.411 50 40 DGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)s1 12375009 KKZRJOGBBVMFHI-LBPRGKRZSA-N 306.774 3.216 50 40 DGGB CCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 100500790 HQPIOKYETOHZRO-TZMCWYRMSA-O 306.854 3.278 50 40 DGGB O=C(NCCCl)NC(Cc1ccccc1)Cc1ccccc1 1623659 IEEJPZRRIVRUHX-UHFFFAOYSA-N 316.832 3.378 50 40 DGGB C=CCSC1=C(C#N)[C@H](c2ccccc2OCC)CC(=O)N1 9109434 RAOSUHAWSOXLIJ-ZDUSSCGKSA-N 314.410 3.343 50 40 DGGB O=C(N/N=C1/CCCc2ccccc21)c1ccccc1[N+](=O)[O-] 18068070 UYGWRQQHUBTMOC-SDXDJHTJSA-N 309.325 3.065 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2cccc(Br)c2)o1 33305794 FIFAOITZIJYLIB-NVNXTCNLSA-N 307.147 3.114 50 40 DGGB C/C(=N/NC(=O)c1ccccc1O)c1ccccc1OC(F)F 33524674 MDYBOCQVCFJTTM-GRSHGNNSSA-N 320.295 3.148 50 40 DGGB Cc1ccc(CSCC(=O)N/N=C/c2cccs2)cc1 59473442 MKMIRVMOEDJENM-CXUHLZMHSA-N 304.440 3.440 50 40 DGGB CO[C@H](C(=O)N/N=C1\CCCC[C@@H]1CCC#N)c1ccccc1 408720127 TUCLPKWMZZRLEK-ASSFOTHBSA-N 313.401 3.340 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(C#N)cc1 59247 WZBYLELFPMMGQK-INIZCTEOSA-N 319.364 3.009 50 40 DGGB CC(C)(CCl)C(=O)N1C(=O)C(C)(C)COc2ccccc21 2180780 BPHOJDKJOFJHPZ-UHFFFAOYSA-N 309.793 3.230 50 40 DGGB CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1nnc2n1CCCCC2 63276011 YYGZPVXNWYXWLA-FMIVXFBMSA-N 310.405 3.089 50 40 DGGB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NN(C)C)(C4)C2)C3)cc1 100846203 DWKBNRVGAADAME-MVYVIFSASA-N 312.457 3.426 50 40 DGGB Cn1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1 521857 UDHBPXSTYFIPOR-INIZCTEOSA-N 301.349 3.396 50 40 DGGB Cc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)c(C)c2c1 551660 SWMNLIQMLPHHHS-VXLYETTFSA-N 307.353 3.254 50 40 DGGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])s1 1726938 WYAUTAQLBINCFI-OVCLIPMQSA-N 323.761 3.003 50 40 DGGB CC(C)/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 13966527 QGXFDYVMLSGRCN-FBMGVBCBSA-N 311.341 3.385 50 40 DGGB Cc1ccccc1-n1c(=O)c2ccccc2n2c(CCl)nnc12 15424627 GMGQHWJTWACXSS-UHFFFAOYSA-N 324.771 3.081 50 40 DGGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccncc1 15934512 ARTGZFHGFKVRLE-FYJGNVAPSA-N 304.353 3.092 50 40 DGGB Cn1cccc1CC(=O)N/N=C\c1cccc(Cl)c1Cl 32576885 VMAJLFRHDWIUMK-MFOYZWKCSA-N 310.184 3.025 50 40 DGGB O=[N+]([O-])c1ccc(Br)c(CBr)c1F 169801392 CQRIGZABJYRAFM-UHFFFAOYSA-N 312.920 3.391 50 40 DGGB COc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccco2)cc1C 555342 QMMWBJDFMUMGOP-OQLLNIDSSA-N 310.353 3.128 50 40 DGGB Cc1ccc(NC(=S)NNC(=O)c2ccccc2Cl)cc1 5274161 MIMYOKRNGYXFHE-UHFFFAOYSA-N 319.817 3.280 50 40 DGGB COc1ccc(CC(=O)N/N=C(/c2ccccc2)C(C)C)cc1 5632685 SDFGBQAJGICUTK-XUTLUUPISA-N 310.397 3.414 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1 5660601 VSYROWRRSSSLMM-RVDMUPIBSA-N 306.321 3.019 50 40 DGGB O=C(Cc1cccs1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 30738416 YXDYFKSQLPXHLD-NVNXTCNLSA-N 323.761 3.003 50 40 DGGB Cc1cccc(OCC(=O)N/N=C2/CCCc3ccccc32)c1 33329698 QWWFJJHLCKJCNW-ZZEZOPTASA-N 308.381 3.231 50 40 DGGB O=C(CCl)N[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 79415141 BHFZJTAUMOWFHD-IRXDYDNUSA-N 320.864 3.317 50 40 DGGB CCn1cc(/C=N/NC(=O)COc2ccccc2)c2ccccc21 408531909 PBVDGYYZMBYXHP-UDWIEESQSA-N 321.380 3.190 50 40 DGGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(O)cc2)cc1 408565757 ABZDDTKOCBVCKO-DEDYPNTBSA-N 310.397 3.383 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1 131613 YGSWNBMZISIMHK-DEDYPNTBSA-N 318.380 3.004 50 40 DGGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccco1 242915 CCRJPXLYQNSGBP-LBFZPMSMSA-N 306.749 3.159 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1 4526133 FVRXWYSPGILYJJ-AAPRONAGSA-N 300.402 3.362 50 40 DGGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F 5129691 AMZYGAUVVZFKAU-FMIVXFBMSA-N 311.272 3.280 50 40 DGGB Cc1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 6160699 NBQFPLXSRMXIDT-NSHDSACASA-N 321.167 3.243 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccccc1 59166653 GITFQUZRWKXXHP-XSFVSMFZSA-N 307.397 3.359 50 40 DGGB COc1cc(Cl)c(/C=N/NC(=O)c2cccs2)cc1OC 66202163 BXOKKMUWASEGPH-LZYBPNLTSA-N 324.789 3.183 50 40 DGGB COc1ccc(CC(=O)N/N=C(/C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 107547599 QHCWNDHTNWAHPQ-MPQLPYJRSA-N 300.402 3.166 50 40 DGGB NNC(=O)c1ccc(OCc2ccccc2Cl)c(Cl)c1 216815596 TYLRINLTCICSJB-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1O[C@H](C)CC 408544660 WLFNMEJRSBDMNE-KAQJVSAMSA-N 304.415 3.456 50 40 DGGB Cn1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc21 408873623 TZYRFICDCMLHLR-GDZOKYCISA-N 309.413 3.455 50 40 DGGB Cc1ccccc1CSc1nsc(NC(=O)CCl)n1 4898370 JCRZLHDEHYTIOI-UHFFFAOYSA-N 313.835 3.316 50 40 DGGB CCOC(=O)/C(C#N)=C(\SCC)c1cc2c([nH]1)CCCC2 5456915 CEZMKFUZEANOJM-QINSGFPZSA-N 304.415 3.444 50 40 DGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 13950764 MFHBSLPONJTDTN-VCHYOVAHSA-N 316.744 3.223 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 15219857 RTRNDQRKRSUBFV-ZROIWOOFSA-N 307.309 3.449 50 40 DGGB CO/N=C1\C(C)(C)C(C)(C)C(C)(C)[C@]1(C)SS(=O)(=O)O 17005422 HUMCGGJCMKJQLW-OZYJXZHSSA-N 323.480 3.376 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cccc(O)c1 38165454 RYKBXESADQKCQJ-ZHZULCJRSA-N 323.396 3.146 50 40 DGGB Cc1ccccc1NC(=O)C(=O)NN=C1CCCCCCC1 58885887 DMRMPZPGYSNBLW-UHFFFAOYSA-N 301.390 3.150 50 40 DGGB CCN1C(=O)C(C#N)=C(C)/C(=C/Nc2c(C)cc(C)cc2C)C1=O 96343680 LIGKOGADHZNJIT-YBEGLDIGSA-N 323.396 3.136 50 40 DGGB COc1ccccc1/C=N\NC(=O)c1ccccc1C(F)(F)F 408776698 QGKDGVKJPNIQEU-JMIUGGIZSA-N 322.286 3.478 50 40 DGGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1O 408996152 OJEQFZUGQIXFDH-VBKFSLOCSA-N 310.397 3.477 50 40 DGGB O=C(CBr)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 575338384 NQMHLWRBILBTDH-UHFFFAOYSA-N 312.041 3.191 50 40 DGGB Cc1occc1C(=O)N/N=C(\c1ccccc1)c1cccnc1 2740776 COUDVJZWHSAPAP-LVZFUZTISA-N 305.337 3.165 50 40 DGGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1 2769012 WHAVIOSFPUWCQI-DTQAZKPQSA-N 311.429 3.499 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Nc2ccccc2)c(OC)c1 4471465 JSFADCTVXHQUKW-XDHOZWIPSA-N 313.357 3.250 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1 4526134 FVRXWYSPGILYJJ-PNOOQRCFSA-N 300.402 3.362 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccccc2OC(F)F)cc1 6675585 ALLFKSVQWRSYDK-VXLYETTFSA-N 304.296 3.360 50 40 DGGB C/C(=N\NC(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3 12362485 PRMAHAVEGRGOJQ-SRZZPIQSSA-N 311.429 3.447 50 40 DGGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc(C#N)cc1 409367878 MXSAQMZPPQVOBW-SXGWCWSVSA-N 304.305 3.086 50 40 DGGB NNC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 370231 VTBMKQJDHAULJK-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1ccc(F)cc1 4694222 MJWRKTSYXHHBDV-XSFVSMFZSA-N 314.360 3.362 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 4722921 QLQQROAIGXCCJP-ZSOIEALJSA-N 306.321 3.269 50 40 DGGB CCn1cccc1/C=N/NC(=O)c1cc2ccccc2cc1OC 6711600 CSUBPLZJISVKGC-DEDYPNTBSA-N 321.380 3.434 50 40 DGGB CCN1C=CC=C/C1=C(/C#N)c1nc2cc([N+](=O)[O-])ccc2[nH]1 257173070 BZXIMUXMIOGGCG-NTCAYCPXSA-N 307.313 3.111 50 40 DGGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1)OCO2 408985786 NHIROQHCHVJEHW-RIYZIHGNSA-N 306.321 3.269 50 40 DGGB COc1ccc(-c2csc(NC(=O)CCl)n2)cc1OC 3272885 KFAZTFZCCMSGBA-UHFFFAOYSA-N 312.778 3.005 50 40 DGGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/C[C@H]2CC=C[C@H]12 34857686 IGSNLPZYAFWPCG-PFOPDKNHSA-N 323.318 3.186 50 40 DGGB Cc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C#N)cc2)cc1 58822488 AEJMVPNLXNKPKZ-UHFFFAOYSA-N 324.361 3.193 50 40 DGGB CC(C)N(Cc1ccccc1)C[C@H]1CCCN1C(=O)CCl 79414981 WCORRRASBTWMHK-MRXNPFEDSA-N 308.853 3.127 50 40 DGGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccccc1O 100116240 JGNOXTYFIUFLGU-WOJGMQOQSA-N 302.761 3.129 50 40 DGGB COc1cccc(/C=N\NC(=O)c2cccs2)c1OC(C)C 135798230 JVBSVMCSRXWMCU-YVLHZVERSA-N 318.398 3.308 50 40 DGGB C=C(C)C(=O)OC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 196092252 YPMNWQTVWVHXIQ-UHFFFAOYSA-N 320.610 3.420 50 40 DGGB Cc1cc2c(cc1/C=N/NC(N)=O)[C@H](C)CC(C)(C)N2C(C)C 223588460 DUNRQRVXAKBKDT-RNDVCUHJSA-N 316.449 3.498 50 40 DGGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)NCCCc1ccccc1 409245541 VKEYIQJCAROECB-UYRXBGFRSA-N 315.376 3.214 50 40 DGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 59260 YEIJKFUDXKQNNX-MRXNPFEDSA-N 312.369 3.065 50 40 DGGB C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc2ccccc2c1 188711 AWNFVHPYFWBFHH-HMMYKYKNSA-N 320.396 3.194 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C/c2sccc2C)cc1 573770 LRUHKMIOCIOBEJ-NTEUORMPSA-N 312.394 3.289 50 40 DGGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1O 5370509 JSKWKWZJDQYBDI-PBSOMRJOSA-N 300.383 3.023 50 40 DGGB CCc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 31776122 LYTKBKKQPXWFQR-CTFRJJSNSA-N 310.397 3.475 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1C 194518809 MKEZGCSVNKNONP-LDADJPATSA-N 320.392 3.270 50 40 DGGB Cc1cc(F)cc(C(=O)[C@H](Br)CBr)c1 307038133 HHTMRLPGLWJMSD-SECBINFHSA-N 323.987 3.475 50 40 DGGB N#C/C(=C/c1ccoc1)C(=O)NCCc1c[nH]c2ccccc12 408951144 LTSADQXXHSDNPC-DHDCSXOGSA-N 305.337 3.027 50 40 DGGB N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCc1cccs1 409205177 ABCPXJPPAQARMV-OQLLNIDSSA-N 322.389 3.290 50 40 DGGB CC(C)N1CCC(=NNC(=O)c2csc3ccccc23)CC1 55082618 FYVPGSGSEGCDDP-UHFFFAOYSA-N 315.442 3.491 50 40 DGGB COc1cc(/C=C(\C#N)C(N)=O)ccc1O[C@@H](C)c1ccccc1 41082795 UHNCAHNZADKAMV-RKPNYOAGSA-N 322.364 3.227 50 40 DGGB C/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccc(C#N)cc1 4964653 JLODTDYPLALELE-RCCKNPSSSA-N 321.380 3.094 50 40 DGGB Cc1ccc(S(=O)(=O)/C(C#N)=C(\O)Nc2ccccc2)cc1 100926460 PBQZHHUHHNCEDE-NXVVXOECSA-N 314.366 3.132 50 40 DGGB CCCC(=O)Nc1ccc(C(=O)NN=C(C2CC2)C2CC2)cc1 358364 CVJGREXXRPLBGX-UHFFFAOYSA-N 313.401 3.331 50 40 DGGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1 30802901 QOHJARIRUNYRMV-NDENLUEZSA-N 310.401 3.000 50 40 DGGB COc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1C(=O)Cl 45957588 LCYAFWMDECGWEL-SECBINFHSA-N 312.753 3.361 50 40 DGGB O=C(CCSc1ccccc1)N/N=C/c1ccc(F)cc1 59473667 FBPOIJYISFIBPZ-LDADJPATSA-N 302.374 3.458 50 40 DGGB CC(C)[C@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1 72220093 HWBWLWYZALBWQW-VIFPVBQESA-N 303.200 3.330 50 40 DGGB CCCC[C@@H](C(=O)NN)N1c2ccccc2C(C)=CC1(C)C 223227820 GIRCUZRZURAXCF-INIZCTEOSA-N 301.434 3.237 50 40 DGGB CO[C@H](C(=O)N/N=C(\C)CCc1ccccc1)c1ccccc1 408781276 BCNSXDODSNTHBT-XTFSCAMASA-N 310.397 3.499 50 40 DGGB Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c1 146536 WAUYDDREXKPRTJ-JXMROGBWSA-N 314.772 3.123 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 485125 VVPBSRDHRXJQAO-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB C[C@@]1(CBr)[C@@H]2CC[C@@]1(CBr)C(=O)C2 2140399 VWJROIUSFOLGSX-SZEHBUNVSA-N 310.029 3.152 50 40 DGGB COc1ccccc1C(=O)N/N=C/c1ccc2ccccc2c1O 2737857 VKPJEARWGKXKHF-UDWIEESQSA-N 320.348 3.318 50 40 DGGB O=C/C(=C\Nc1ccccc1C(=O)O)c1nc2ccccc2o1 5336022 NQALQZRFEREZGI-PKNBQFBNSA-N 308.293 3.178 50 40 DGGB O=C(Nc1nccs1)[C@@H](Br)Cc1ccccc1 11692935 TVQNHERHXYWKJE-JTQLQIEISA-N 311.204 3.088 50 40 DGGB O=C(COc1ccccc1)N/N=C\c1c(O)ccc2ccccc12 13950449 KSQNTUFSBLSCRK-NDENLUEZSA-N 320.348 3.075 50 40 DGGB N#CC1=C(N)SC(N)=C(C#N)C1c1cccc2ccccc12 19337639 YXMNNRBXIZWZAB-UHFFFAOYSA-N 304.378 3.058 50 40 DGGB CN1/C(=C/C=N/NC(=O)c2cccnc2)C(C)(C)c2ccccc21 34879786 GNNFFZQFCWMBMN-HXXYPFMASA-N 320.396 3.109 50 40 DGGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1CC[C@H]2C1(c1ccccc1)c1ccccc1 104068228 SGBJVGLIDBZHFR-BRSBDYLESA-N 318.372 3.328 50 40 DGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3O)cc2c1 409186381 BFNDFKMMOYOXHK-ODLFYWEKSA-N 324.336 3.301 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 254028 ZWJZPXAOAGELNJ-DEDYPNTBSA-N 313.376 3.436 50 40 DGGB CCOc1ccc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1 409366885 ZYQROHWIIGOYOJ-MOSHPQCFSA-N 310.397 3.395 50 40 DGGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1 4453390 YJSKZOJQBFCRNU-CQSZACIVSA-N 308.385 3.314 50 40 DGGB N#C/C(=C/c1cccc(Br)c1)C(=O)NC1CCCC1 33691395 KVJLUKNCEBPFTG-WQLSENKSSA-N 319.202 3.415 50 40 DGGB CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1cccs1 19853476 SFUZQOZMPQPTRA-CYBMUJFWSA-N 320.439 3.370 50 40 DGGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 550959 HXDQUIMAXWYDNC-XYOKQWHBSA-N 312.300 3.086 50 40 DGGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccccc1O 159119 BYAATZBERJUDQC-LJQANCHMSA-N 324.316 3.397 50 40 DGGB COc1ccc(SCC(=O)N/N=C/c2cccc(C)c2)cc1 573138 RCXXCIIZEKUATM-WOJGMQOQSA-N 314.410 3.246 50 40 DGGB CCCCNC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OCC)c1 3570670 LSGHIXBTHXELIM-KPKJPENVSA-N 322.792 3.268 50 40 DGGB Cc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1 4724110 PAEJESLEVDLTGF-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)C1CCCCC1 16136833 SJRIXWWOEOOWCN-UDWIEESQSA-N 319.380 3.227 50 40 DGGB N#C/C(=C/c1ccc(O)cc1O)C(=O)Nc1ccc(Cl)cc1 16428189 BCYWNVMLXRVNTL-XFFZJAGNSA-N 314.728 3.297 50 40 DGGB CCc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 31776125 LYTKBKKQPXWFQR-HYTQYMIGSA-N 310.397 3.475 50 40 DGGB C[C@H](Cl)C(=O)N1CCc2sc(Br)cc2C1 95097545 KRFVINJAAKQAHK-LURJTMIESA-N 308.628 3.023 50 40 DGGB Cc1nc2cc(NC(=O)/C(C#N)=C\c3ccco3)ccc2n1C 98056126 CGFSLBCLLNALNC-WQLSENKSSA-N 306.325 3.020 50 40 DGGB COc1cccc(OC)c1/C=C(\C#N)C(=O)NC1CCCCC1 179026394 CGPPYNWBHHYBRK-ACCUITESSA-N 314.385 3.060 50 40 DGGB CC(C)OC(=O)[C@H](C)N[P@](=O)(Cl)Oc1ccccc1 114020077 SKAAFTUHFLUIKV-OVWNDWIMSA-N 305.698 3.342 50 40 DGGB CCOc1ccc(C(=O)N/N=C(\CC)c2ccc(O)cc2)cc1 4674871 LOXUITFYZVZSGO-HTXNQAPBSA-N 312.369 3.335 50 40 DGGB NC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 82372351 QRTKRLZPRRARRK-CIAFOILYSA-N 319.364 3.421 50 40 DGGB CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(Cl)cc1Cl 96517814 IEVOYPLSSXHUEK-SNVBAGLBSA-N 315.605 3.176 50 40 DGGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1 5750017 RJDQKNBOYLBIPG-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)NCc1ccc(Cl)cc1 5417335 FLOWTYNUAZJUKF-UHFFFAOYSA-N 323.824 3.029 50 40 DGGB O=P(COC[C@H]1CCCO1)(c1ccccc1)c1ccccc1 301418 DRSNNRBHMIRWRS-MRXNPFEDSA-N 316.337 3.154 50 40 DGGB O=C(N/N=C/c1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] 502245 HTUWGRJXIMHWNP-VGOFMYFVSA-N 309.734 3.074 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@@H]1C2 5620913 WJZYVSLLOSZEAC-QNWHXTRKSA-N 315.373 3.066 50 40 DGGB COc1cc(OC)cc(C(=O)N/N=C/C=C/c2ccccc2)c1 6685681 IQGHJWNHZVQLCI-AVSIYSEJSA-N 310.353 3.133 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCC 408860319 YTTGIJBNCJZUCW-XSFVSMFZSA-N 324.380 3.414 50 40 DGGB CCn1cc(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 409381095 RTTFASOCKSLBPC-CIAFOILYSA-N 320.396 3.223 50 40 DGGB ClCc1nc(-c2ccc(-c3noc(CCl)n3)cc2)no1 165493 XYVWSKCZAUTBLI-UHFFFAOYSA-N 311.128 3.264 50 40 DGGB C/C(=N/NC(=O)[C@H]1CC12CCC2)c1ccc(Br)cc1 362771 GYHAHKDENJCDDA-OMJMQIJPSA-N 321.218 3.480 50 40 DGGB Cc1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2)c1 370875 ZQEYOTMKKYVDED-UHFFFAOYSA-N 303.749 3.115 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccs1 559080 PIPZTPGHDAVELU-GZTJUZNOSA-N 311.366 3.008 50 40 DGGB CCCCOOC(=O)c1ccccc1C(=O)OOCCCC 1680389 KCZPIRURBZQONL-UHFFFAOYSA-N 310.346 3.464 50 40 DGGB O=C(CCl)NC(=O)N(/N=C/c1ccccc1)c1ccccc1 4921174 RUKNIEDLZKAHJF-LDADJPATSA-N 315.760 3.002 50 40 DGGB COc1ccc(O)c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 4979919 PBRQEXKWRUASAX-HZNNPKNDSA-N 314.385 3.003 50 40 DGGB COc1ccc(CCCC(=O)NN=Cc2cccs2)cc1 253501300 NTGPPPZDXSZYGV-UHFFFAOYSA-N 302.399 3.230 50 40 DGGB CO[C@H](C(=O)N/N=C/c1ccc(C)c(C)c1C)c1ccccc1 313776 KEYAVGZOVYOGTI-TYJAPOHBSA-N 310.397 3.450 50 40 DGGB Cc1occc1C(=O)N/N=C(\c1ccccc1)c1ccncc1 6254697 DGLUJNYWPBLVIV-LVZFUZTISA-N 305.337 3.165 50 40 DGGB COc1ccc(OCC(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc1 8298091 TYABMQQCLHEKTB-ISNHLSKGSA-N 318.417 3.392 50 40 DGGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846189 LPKINYKRPQAVBE-GOSISDBHSA-N 321.380 3.276 50 40 DGGB CC(C)/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 12403590 VONCCNUHAJDZNK-FBMGVBCBSA-N 311.341 3.385 50 40 DGGB CN(C)c1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1 31723484 NBCALROBQUUTLB-WQRHYEAKSA-N 301.777 3.170 50 40 DGGB N#C/C(C(=O)c1ccc(Cl)cc1)=C1\NC(=O)c2ccccc2N1 100284082 ALSCZJQYCXXEQP-DTQAZKPQSA-N 323.739 3.113 50 40 DGGB Cc1ccsc1C(=O)[C@H](Br)CBr 306711992 YMFUTKFGJRNQRI-ZCFIWIBFSA-N 312.026 3.398 50 40 DGGB COC(=O)N/N=C(/C)c1ccc(NC(=O)C2CCCCC2)cc1 369559 MTPZJSBHJQKCFA-UNOMPAQXSA-N 317.389 3.285 50 40 DGGB O=C(N/N=C/c1ccccc1F)c1ccccc1Br 3159274 QNGHGSXRDWMJEB-RQZCQDPDSA-N 321.149 3.352 50 40 DGGB Cc1cccc(C(=O)/C(C#N)=C\n2c(N)nc3ccccc32)c1 4171288 YPXNNDHMSDMBBY-KAMYIIQDSA-N 302.337 3.174 50 40 DGGB O=C(COc1ccccc1Cl)N/N=C\c1ccccc1F 13897624 GKLWLQHOAOWUDL-NVMNQCDNSA-N 306.724 3.008 50 40 DGGB C[C@@H](I)C(=O)Nc1ccccc1Cl 72226320 JQRMXDKXTRPXHT-ZCFIWIBFSA-N 309.534 3.102 50 40 DGGB Cc1cccc(C(=O)N/N=C/c2n[nH]cc2-c2ccc(F)cc2)c1 8558857 WKWONIRAXGMFEH-SRZZPIQSSA-N 322.343 3.288 50 40 DGGB CN1/C(=C\C=N\NC(=O)c2cccnc2)C(C)(C)c2ccccc21 12514779 GNNFFZQFCWMBMN-PVJAAUPOSA-N 320.396 3.109 50 40 DGGB CCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 27018773 ODJCNNAYBARXQZ-GZTJUZNOSA-N 321.380 3.094 50 40 DGGB CCN1CCC(=NNC(=O)c2csc3ccccc23)CC1 55082626 RMVMOCFIXRSDSC-UHFFFAOYSA-N 301.415 3.103 50 40 DGGB Cc1ccc(C(=O)N/N=C/[C@H]2C[C@@H]3CC[C@@H]2C3)cc1[N+](=O)[O-] 102175978 WQCKQRAGIYUUTD-LPYLZNPDSA-N 301.346 3.055 50 40 DGGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccco1 4482656 NDDBMCLOJKONSH-NVNXTCNLSA-N 317.395 3.132 50 40 DGGB COC1CCC(/C(C#N)=C\[C@@H]2CC[C@H](OC)[C@H](OC)C2)CC1 5328155 LDKOSUQNGUYOSJ-WKWAGNDVSA-N 307.434 3.472 50 40 DGGB CCCC/C(CC)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 4402087 DTXIBMJCRBGOKS-XMHGGMMESA-N 323.824 3.142 50 40 DGGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2)cc1 4714686 OUISCPDLJBOMHC-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 5021174 ZEQULRLHFNCTKT-PIVLXOICSA-N 316.401 3.246 50 40 DGGB O=C(CN1CCCc2ccccc21)N/N=C/C=C\c1ccccc1 17178105 HMDPMGMNKYTCQS-MJETZJDKSA-N 319.408 3.255 50 40 DGGB CSc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 36224044 KKYKZKKIPSMZHO-WQRHYEAKSA-N 302.374 3.240 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1C 58700 PYIZURJBOBKRJQ-VXLYETTFSA-N 316.788 3.486 50 40 DGGB C[C@@H](Cl)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4223304 JVZYVWZSCBWRSV-SECBINFHSA-N 307.806 3.185 50 40 DGGB C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Cl)s1 16975225 VMEPQMULXABDFC-VIZOYTHASA-N 308.794 3.156 50 40 DGGB O=C(N/N=C\c1cccn1-c1ccccc1)c1ccc(F)cc1 32189257 RKAACXLJHIRTBS-MOSHPQCFSA-N 307.328 3.380 50 40 DGGB CC(C)=NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 67321455 LSMNNHPQEPNIHG-UHFFFAOYSA-N 321.424 3.371 50 40 DGGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 108208018 DEAQFWUVAMJKKC-XFXZXTDPSA-N 311.272 3.280 50 40 DGGB Cc1cc(C)c(C#N)c(NNC(=O)Nc2cccc(Cl)c2)n1 33742 HTOUEEIJNOLPDK-UHFFFAOYSA-N 315.764 3.372 50 40 DGGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cccs1 568130 FPTIWQULRMQHCZ-PKNBQFBNSA-N 312.350 3.080 50 40 DGGB Nc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 3153505 BISYWZLUPWPKJD-CNHKJKLMSA-N 324.167 3.045 50 40 DGGB CCCCS/C(=C(\C#N)C(N)=O)c1cc2c([nH]1)CCCC2 3957216 FQOLJHJIJJBTRH-NTCAYCPXSA-N 303.431 3.147 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(OC)c1O 5788428 XAZGIAMXIWCRHU-RIYZIHGNSA-N 309.321 3.199 50 40 DGGB O=C(NNC(=O)c1ccccc1-c1ccccc1)c1ccco1 12812790 NJLMYKIQEAFWTR-UHFFFAOYSA-N 306.321 3.021 50 40 DGGB CN1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CCCC2=O 409133978 OEIUNJIVGIPGAF-OAHLLOKOSA-N 313.788 3.070 50 40 DGGB O=C(CBr)c1cc2cc(Cl)ccc2oc1=O 195515 FYYJITRCFASIRA-UHFFFAOYSA-N 301.523 3.024 50 40 DGGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 3251134 MCDHCUGVBOSUJV-KGENOOAVSA-N 320.396 3.168 50 40 DGGB COc1ccc([C@@H]2C(C#N)=C(SC)NC(C)=C2C(C)=O)cc1 5465472 CCFUDTHRPPHTRS-MRXNPFEDSA-N 314.410 3.343 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5477236 HKGXGQXJAWIBSF-LDADJPATSA-N 311.341 3.311 50 40 DGGB N#CC1=C(N)C2=CCCC[C@@H]2[C@H](c2ccccc2)C1(C#N)C#N 16037314 PLHRKJLUDYEQLW-YOEHRIQHSA-N 300.365 3.280 50 40 DGGB CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1cccs1 19853479 SFUZQOZMPQPTRA-ZDUSSCGKSA-N 320.439 3.370 50 40 DGGB CCc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1 30843262 NKJJPPWICXZWAE-NDENLUEZSA-N 310.397 3.395 50 40 DGGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 111903382 VHZNULFWRGLVIV-KPKJPENVSA-N 310.284 3.100 50 40 DGGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(N)=O)cc21 208248304 CZOPDKZDKORWIV-SEYNJHBTSA-N 308.813 3.064 50 40 DGGB COc1ccc(SCC(=O)N/N=C\c2sccc2C)cc1 408995891 BXBFXCJGIGHBGC-SXGWCWSVSA-N 320.439 3.308 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1C 409230487 YUPDRCNZSJRZPR-UYRXBGFRSA-N 321.424 3.298 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2ccc(F)cc2)ccc1Cl 253214 JCBATCFBGBKLBH-DJKKODMXSA-N 320.751 3.317 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(C)c1 3023321 SBOSKZUPDFDROB-VXLYETTFSA-N 316.788 3.486 50 40 DGGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cccc(Cl)c1 7041564 QNIMCTNMKCDBIT-VCHYOVAHSA-N 312.760 3.060 50 40 DGGB CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846196 CURMTYLGYFAOSJ-SFHVURJKSA-N 321.380 3.276 50 40 DGGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1 12364846 POTCWKXLEUUCSD-GFCCVEGCSA-N 302.761 3.258 50 40 DGGB CC(C)(C)C1CCC(C(=O)NNC(=O)c2ccccc2)CC1 12920366 BIHYLJZGSYGQNE-UHFFFAOYSA-N 302.418 3.300 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2O)c(C)c1 20194971 IFVZJKMPLYHKLT-VXLYETTFSA-N 316.788 3.355 50 40 DGGB C=CCNC(=O)C(=O)NN=C1CCCCCCCCCCC1 58885590 FFVMYARACFNUOU-UHFFFAOYSA-N 307.438 3.066 50 40 DGGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccco1 100510113 NDZZWBGIJKHGSV-VCHYOVAHSA-N 319.748 3.068 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccs1)Nc1ccccc12 495495 IXVLKFPDEYNBBG-OAHLLOKOSA-N 317.377 3.206 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)COc1ccccc1C 6046283 BJVVFSIQHVKTMZ-CAPFRKAQSA-N 310.397 3.499 50 40 DGGB O=P(CCN1CCCCC1)(c1ccccc1)c1ccccc1 8680950 AKWHZMCHGZLRJT-UHFFFAOYSA-N 313.381 3.486 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)c1 33045644 SJRYXBTVTUPNSS-NHLVTWMQSA-N 312.413 3.468 50 40 DGGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(N)=S 408544324 VODWUBLGVPONNG-UXBLZVDNSA-N 323.215 3.207 50 40 DGGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(N)=O 47051 ZNDFNQYAHHXXJY-GDNBJRDFSA-N 301.349 3.082 50 40 DGGB Cc1cc2c(c(=O)o1)[C@H](CCC1CCCCC1)C(C#N)=C(N)O2 406845 CXTKSNBYPRYPNI-CYBMUJFWSA-N 314.385 3.479 50 40 DGGB Fc1nc(F)c(F)c(O[C@H](CCl)CBr)c1F 551714 CEPWPVUPVZPQFD-VKHMYHEASA-N 322.483 3.019 50 40 DGGB O=C(Nc1ccccc1)[C@H](Br)C(=O)c1ccccc1 2170374 MICAIBKSCOMWAI-CYBMUJFWSA-N 318.170 3.272 50 40 DGGB CCOC(=O)N/N=C(\Cl)c1ccc(Br)cc1 2556207 ZUHWPBMTCLOMMJ-LCYFTJDESA-N 305.559 3.096 50 40 DGGB CC1(C)CC(=O)C=C(NNC(=O)c2ccc(C(C)(C)C)cc2)C1 6394146 RINMMYHWBZZEKG-UHFFFAOYSA-N 314.429 3.492 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223221044 LMNRJPMXAXCEFF-INIZCTEOSA-N 315.461 3.464 50 40 DGGB CCCN(CCC)S(=O)(=O)c1ccc(CCCl)cc1 20190817 WIPYJIQMFKKGEQ-UHFFFAOYSA-N 303.855 3.279 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 1090825 ZEFDXCKVSVOJQG-CIAFOILYSA-N 315.332 3.181 50 40 DGGB N#CC(C#N)=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 4507634 MUYNJHQNWGWLIT-UHFFFAOYSA-N 304.305 3.394 50 40 DGGB COc1ccc([C@H]2C(C#N)=C(SC)NC(C)=C2C(C)=O)cc1 5465644 CCFUDTHRPPHTRS-INIZCTEOSA-N 314.410 3.343 50 40 DGGB CC(C)(C)C1CCC(=NNC(=O)CSc2ncccn2)CC1 408829291 PEPUIVNVWOVJKF-UHFFFAOYSA-N 320.462 3.277 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCC=CCC[C@@H]12 5513024 RMHIIYCWEGTONP-JWNMXZHYSA-N 313.357 3.037 50 40 DGGB N/C(c1ccc(Cl)cc1)=[N+](/[O-])C(=O)c1cccc(CCl)c1 4277463 VPEXXCJHWCXJMF-XMHGGMMESA-N 323.179 3.135 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC 9201948 FWWQYVWIVSQDNK-DEDYPNTBSA-N 324.380 3.332 50 40 DGGB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N=C=S 71289377 QVBNIROIIUYEOI-UHFFFAOYSA-N 306.343 3.096 50 40 DGGB CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2c(C)cccc21 223213401 XCZAHXNTRHBKTQ-OAHLLOKOSA-N 301.434 3.011 50 40 DGGB CCC[C@H](C(=O)NN)N1c2c(C)cccc2[C@H](C)CC1(C)C 260612726 ANXNZWZENJNDDU-UKRRQHHQSA-N 303.450 3.246 50 40 DGGB NNC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 3614598 LXNUNBCLCOMEIC-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccccc1O 4578437 DPYCEVTUHITJPE-QGOAFFKASA-N 314.410 3.166 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1cccnc1 5167576 ZREUGGCEXHHQMO-QMDUKARKSA-N 313.426 3.422 50 40 DGGB COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 20248014 BITFRBXFMFRENW-HTMJNSLASA-N 314.410 3.326 50 40 DGGB NNC(=O)c1cn(Cc2cccc3ccccc23)c2ccccc12 216947677 AZDSTKZRMKSACB-UHFFFAOYSA-N 315.376 3.446 50 40 DGGB Cc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)o1 6278877 UDJRLDYEJDCPOE-LVZFUZTISA-N 305.337 3.165 50 40 DGGB CC(C)N(C[C@H]1CCCN1Cc1ccccc1)C(=O)CCl 79393732 KGJRKGZKEPUWJC-MRXNPFEDSA-N 308.853 3.127 50 40 DGGB O=C(Cl)C1(c2ccc(I)cc2)CC1 147075085 XPLGZNNHYQQDBY-UHFFFAOYSA-N 306.530 3.088 50 40 DGGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)C(C)(C)C 408784458 CAXDPPYSHQHRQR-LFIBNONCSA-N 323.418 3.366 50 40 DGGB Cc1c(C#N)c(NC(=O)CCCl)n(Cc2ccco2)c1C 9953712 QYUVHGAADNXIRV-UHFFFAOYSA-N 305.765 3.185 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 19877574 BGQFIYRJAMSSDT-UVTDQMKNSA-N 324.311 3.158 50 40 DGGB O=C(NNc1ncccc1[N+](=O)[O-])Nc1cccc2ccccc12 20031200 BIJRLLASJMUQLQ-UHFFFAOYSA-N 323.312 3.292 50 40 DGGB C[C@H](I)C(=O)Nc1ccccc1Cl 72226319 JQRMXDKXTRPXHT-LURJTMIESA-N 309.534 3.102 50 40 DGGB Cc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 102595220 WQCKQRAGIYUUTD-FAJDENIHSA-N 301.346 3.055 50 40 DGGB C=C(I)[C@@H](C)CI 211812098 VOZYPLHSNKQLQD-BYPYZUCNSA-N 321.927 3.006 50 40 DGGB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCl)[C@H]3CCC1 104685 GFAMGQKPRPMKPF-HNNXBMFYSA-N 302.805 3.408 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1O 5069412 QBBJPPMIRUKLHS-KTAQLRSZSA-N 314.385 3.003 50 40 DGGB CC(C)CC(=O)Nc1ccc(C(=O)N/N=C/c2ccoc2)cc1 8560199 FRRUZXLCOVBKMQ-VCHYOVAHSA-N 313.357 3.028 50 40 DGGB COc1cc(/C=N\NC(=O)OC(C)(C)C)ccc1OC(F)F 32573657 QLNYSUYHMABANI-IUXPMGMMSA-N 316.304 3.155 50 40 DGGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(C#N)cc1 59310 NMZSKQQCDRONRU-RGVLZGJSSA-N 323.421 3.250 50 40 DGGB O=C(NP(=O)(Nc1ccccc1)Nc1ccccc1)N1CC1 104081411 ZYFFLFIQYQRVSJ-UHFFFAOYSA-N 316.301 3.344 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)COc2ccccc2C)c1 59471535 FYQJVXMTVRJOLD-DEDYPNTBSA-N 324.380 3.089 50 40 DGGB CCS(=O)(=O)[C@H](Cl)C(=O)c1ccc(Cl)cc1Cl 96517813 IEVOYPLSSXHUEK-JTQLQIEISA-N 315.605 3.176 50 40 DGGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC)ccc21 7516687 YCQVXGTZFUBBHV-SFHVURJKSA-N 322.364 3.312 50 40 DGGB O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cnccn1 30976835 VTIONZXMCXMQLV-MTJSOVHGSA-N 318.336 3.033 50 40 DGGB Cc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)c(C)c1 59472488 MRZMQAAHXVDAKU-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1cccnc1 84501755 DGZZUNPOYQTHEH-NWDGAFQWSA-N 321.302 3.347 50 40 DGGB CC1=C/C(=N\NC(=O)CNc2cccc(C(F)(F)F)c2)CC1 4863595 BNCBNUBATIQNDP-MOSHPQCFSA-N 311.307 3.330 50 40 DGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1[C@H]1C=CCCC1 39940562 FVZOAPHIVYVRCH-XHDPSFHLSA-N 320.348 3.319 50 40 DGGB O=C(CNc1ccccc1)N/N=C/c1cccc2ccccc12 5338418 NXRGIBVUFJSRAY-FYJGNVAPSA-N 303.365 3.402 50 40 DGGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 203838 KRLMWYSXJTTWKX-MRXNPFEDSA-N 310.378 3.332 50 40 DGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2F)cc1 1967079 IEVJQKSOLXEOSK-XNTDXEJSSA-N 301.342 3.473 50 40 DGGB Cc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 408852360 STWHESHFNSPMRE-ZDLGFXPLSA-N 323.308 3.413 50 40 DGGB Cc1cc2c(c(=O)o1)[C@@H](CCC1CCCCC1)C(C#N)=C(N)O2 406844 CXTKSNBYPRYPNI-ZDUSSCGKSA-N 314.385 3.479 50 40 DGGB NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 3319671 YOTGUBMIVSMJKC-UHFFFAOYSA-N 315.423 3.192 50 40 DGGB N#C/C(=C\c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 4953787 HQCLOUZLISHXGM-XYOKQWHBSA-N 311.272 3.280 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c1 20786991 QNFGBGIZDVCAIX-RVDMUPIBSA-N 321.380 3.307 50 40 DGGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 33295211 UETMQMSWPHABIQ-AUWJEWJLSA-N 309.734 3.074 50 40 DGGB COc1ccc(C)c(N/C=C(\C#N)C(=O)Nc2ccccc2)c1 57413942 GOHTWISBBQVHNV-WYMLVPIESA-N 307.353 3.462 50 40 DGGB COC(=O)[C@@H](Cl)C(Cl)(C(Cl)Cl)C(Cl)Cl 140145180 NPOWLNLEDCXEFB-UWTATZPHSA-N 322.830 3.352 50 40 DGGB N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1nc2ccc(F)cc2[nH]1 408570200 SREVDRMKFDHMBA-YHYXMXQVSA-N 324.271 3.380 50 40 DGGB CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)O)o1 408777377 ZHXFMHKUWNDOHK-XFXZXTDPSA-N 324.336 3.076 50 40 DGGB N#C/C(=C\c1cccc2ccccc12)C(=O)NC[C@@H]1CCCO1 3477257 IHCAZQWSZVYYPG-YTBHAWNYSA-N 306.365 3.042 50 40 DGGB COc1ccc(NCC(=O)N/N=C/[C@H](C)c2ccccc2)cc1 4867481 VZJNICYCWRCXSQ-PVGUKEHMSA-N 311.385 3.013 50 40 DGGB Cn1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cn1 20898923 GOEZKEBPTOVMPW-UHFFFAOYSA-N 319.579 3.137 50 40 DGGB O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 44980214 HMFMBTYXLAAVQV-CYBMUJFWSA-N 320.801 3.370 50 40 DGGB C[C@H](N1C[C@@H](C(=O)Cl)CC1=O)C12CC3CC(CC(C3)C1)C2 45957991 VWPBHYNPLHQECW-XOVPDBADSA-N 309.837 3.205 50 40 DGGB CC(C)N(Cc1ccccc1)C1CCN(C(=O)CCl)CC1 79415012 OPYDRSPNQOUEDU-UHFFFAOYSA-N 308.853 3.127 50 40 DGGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1 408542797 LCSIOMJMNJZPTF-JYRVWZFOSA-N 310.284 3.070 50 40 DGGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408873410 QQSYEUMSSPVKGA-GXDHUFHOSA-N 308.337 3.337 50 40 DGGB CC(C)N1CCC(=NNC(=O)Cc2cccc3ccccc23)CC1 55074170 RXGVQGCHROEYKM-UHFFFAOYSA-N 323.440 3.359 50 40 DGGB COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)cc(OC)c1OC 33644828 LCGDPGINNKQULF-GHXNOFRVSA-N 303.358 3.235 50 40 DGGB COC(=O)c1cccc(CBr)c1Br 90513493 LSMBKCOPARGGCS-UHFFFAOYSA-N 307.969 3.131 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)o1 1098656 GMFLSZVSXQBHNO-RGVLZGJSSA-N 319.320 3.484 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1450889 LWUYQMZLGORLET-BVTUPMQUSA-N 321.336 3.379 50 40 DGGB CCOc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1 6453468 ICXSWMJKEQHCMV-UHFFFAOYSA-N 318.417 3.207 50 40 DGGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cccc(Cl)c1 6890235 AZEIEMLIRDZXKI-PUMYGXPMSA-N 316.788 3.304 50 40 DGGB C=CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1CC=C 408780365 BHJCFQRMGGRVMD-ATVHPVEESA-N 310.397 3.411 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(OCC)c1 409367616 BPSPGMKFBTZUGE-RVDMUPIBSA-N 314.385 3.013 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1ccccc1Br 3576161 CVWJEKCITSINJX-GZTJUZNOSA-N 317.186 3.142 50 40 DGGB C/C(=N\NC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1 5605637 NJFXRSDNCDCYED-YBFXNURJSA-N 301.777 3.005 50 40 DGGB O=C(Cl)c1cc(Br)nn1-c1ncccc1Cl 91696042 MOXMPWAWQLBNGS-UHFFFAOYSA-N 320.961 3.062 50 40 DGGB CCC(CC)c1cc(CNC(=O)/C(C#N)=C\c2ccco2)on1 98052789 PPYUAULGKDNHMM-JYRVWZFOSA-N 313.357 3.395 50 40 DGGB CCN1c2cc(C)c(/C=N/NC(N)=O)cc2C(C)=CC1(C)C 208514857 WHFDVKONIADAHA-VXLYETTFSA-N 300.406 3.019 50 40 DGGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 408761838 LXYZZRJSZSZDJD-VCHYOVAHSA-N 316.744 3.029 50 40 DGGB C/C(=N\NC(=O)[C@H]1CCCO1)c1ccc2c(c1)Cc1ccccc1-2 585145715 KZUCKTKGGDIDQX-DBRLUCFCSA-N 320.392 3.277 50 40 DGGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(O)cc1 563859 ZYTDOMKTCKCLIV-FMIVXFBMSA-N 303.321 3.419 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(O)cc1 571840 NQCXQVZCGMZBSH-XSFVSMFZSA-N 323.396 3.146 50 40 DGGB CC/C(Cc1ccccc1)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 1028872 VPRIPLYTZHIEDJ-SDXDJHTJSA-N 311.341 3.333 50 40 DGGB O=C(NNc1nc2ccc(F)cc2s1)c1cccc(F)c1 4121407 IRFCCGMVHHEJMH-UHFFFAOYSA-N 305.309 3.331 50 40 DGGB O=C(CCl)Nc1ccccc1NC(=O)c1ccccc1F 44831493 PFAFATZGLVAWFW-UHFFFAOYSA-N 306.724 3.255 50 40 DGGB CCN(CC)C(=O)Nc1ccc([C@H](C)NC=C(C#N)C#N)cc1 55007283 OJIFIGXKTBFEIK-ZDUSSCGKSA-N 311.389 3.142 50 40 DGGB O=C(N/N=C1\CCCc2ccccc21)c1ccccc1[N+](=O)[O-] 100035038 UYGWRQQHUBTMOC-OBGWFSINSA-N 309.325 3.065 50 40 DGGB C[C@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 100099527 DCDNKSJBRIJYEC-MBLNEYKQSA-N 310.029 3.150 50 40 DGGB N#CS[C@H]1CSC(SC2=N[C@H](SC#N)CS2)=N1 104263332 NDJNXEMKVJAYSN-OLQVQODUSA-N 318.499 3.006 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1cc(C)nc2ccccc12 254074 IDMJZNPZTFBZQO-UDWIEESQSA-N 319.364 3.316 50 40 DGGB CC(C)c1[nH]nc2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 5633538 PLVZYCLWGSCGAH-GFCCVEGCSA-N 314.776 3.405 50 40 DGGB Cc1ccc(S(=O)(=O)SCC(=O)c2ccccc2)cc1 255187165 BQJIVKQYXWKXDB-UHFFFAOYSA-N 306.408 3.300 50 40 DGGB CC(=O)CSCP(=O)(c1ccccc1)c1ccccc1 1584317 BXRWIDTUWGDEAT-UHFFFAOYSA-N 304.351 3.280 50 40 DGGB C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(O)cc1O 17055172 LTTGOPRQVKYBAO-UDWIEESQSA-N 320.348 3.405 50 40 DGGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc(F)cc1 30821998 RDWHVIYABJDEJJ-MFOYZWKCSA-N 321.149 3.352 50 40 DGGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/C(=O)Nc2ccccc21 39556030 YQGBODUGVHFUNS-SQFISAMPSA-N 323.739 3.208 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 409113135 GPMJHQNOZCBQOO-HMMYKYKNSA-N 308.381 3.334 50 40 DGGB CO[C@H](C(=O)N/N=C/c1ccc(SC)cc1)c1ccccc1 382269 PGQYXLVIEYDDKG-IQFISFIMSA-N 314.410 3.246 50 40 DGGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 573158 HOPRUKFIPPJNOF-SRZZPIQSSA-N 323.327 3.432 50 40 DGGB CC(C)(C)[C@H]1CN[P@](=O)(N(CCCl)CCCl)OC1 1571353 KWAPQEGATJPOMF-XTZNXHDOSA-N 317.197 3.156 50 40 DGGB COc1ccc(C)cc1/C=C(\C#N)c1nnc2n1CCCCC2 96794783 MCFGJTLGXRPKRU-RVDMUPIBSA-N 308.385 3.386 50 40 DGGB Cc1ccc2c(c1)N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 260624770 USWOXWSNUYUXOW-BBRMVZONSA-N 303.450 3.102 50 40 DGGB CCn1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409240226 FYPZWJGCPHVEMF-MTJSOVHGSA-N 323.371 3.493 50 40 DGGB CC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 3377501 LLFDJSVSRRCEFL-LICLKQGHSA-N 310.382 3.071 50 40 DGGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1O 5911794 KPCTUAZIVXDYLA-HTMJNSLASA-N 314.410 3.413 50 40 DGGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1F 20247947 MMMCJJKWFGLIHC-MBNTZHJCSA-N 302.374 3.457 50 40 DGGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1O 408691654 KNIIMRFQTRYLGA-ZSOIEALJSA-N 305.337 3.358 50 40 DGGB N#CC1=C(c2ccccc2)NN[C@H](c2ccc(Cl)cc2)CC1=O 5886841 KSNQKILBMGAVMP-INIZCTEOSA-N 323.783 3.383 50 40 DGGB CCCCCC[C@H](C)NC(=O)NNC(=O)c1ccc(F)cc1 32801817 FFTPLBCIHBRNAE-LBPRGKRZSA-N 309.385 3.129 50 40 DGGB CC#C[P@@](=O)(OC)[C@](O)(CBr)c1ccccc1 547397 JHIVYXJFSCQGNP-SJKOYZFVSA-N 317.119 3.132 50 40 DGGB Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1 35154180 FWDDSCFRQJFZJG-DHDCSXOGSA-N 306.321 3.239 50 40 DGGB N[C@@H](Cc1ccc(S(F)(F)(F)(F)F)cc1F)C(=O)O 97950039 PUSFGUGVVDWOJU-QMMMGPOBSA-N 309.231 3.438 50 40 DGGB COc1ccc(CCCC(=O)N/N=C/c2ccc(C)cc2)cc1 59838 BCRRNWMYLSCJLM-XSFVSMFZSA-N 310.397 3.477 50 40 DGGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1cccs1 982357 SZOYEMDARFQJRH-SFQUDFHCSA-N 318.398 3.066 50 40 DGGB Cc1ccc([C@@H]2C(C#N)=C(N)Nc3nc4ccccc4n32)cc1 55175167 BRGPONYFBJWUNS-MRXNPFEDSA-N 301.353 3.054 50 40 DGGB O=C1c2ccc(Br)cc2CC[C@H]1Br 95933681 VKVRCPKKIPKZNV-SECBINFHSA-N 303.981 3.342 50 40 DGGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)ccc2O1 408710742 IARRDJMNFUMIFH-JXCQQFQQSA-N 320.348 3.261 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1 408792737 BVKBTTWQJKHYTC-CSKARUKUSA-N 302.717 3.487 50 40 DGGB CSc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1 437648 QPBKWDXKQQKGEW-YBFXNURJSA-N 313.426 3.279 50 40 DGGB CCn1cc(/C=N/NC(=O)c2cccc(OC)c2)c2ccccc21 561477 XNGHJAIDTBJWCP-UDWIEESQSA-N 321.380 3.434 50 40 DGGB COc1ccc(-c2csc(N(C)C(=O)CCCl)n2)cc1 4215086 ORJBBIZCEKRCJS-UHFFFAOYSA-N 310.806 3.410 50 40 DGGB COc1ccc(C(=O)N/N=C/[C@@H](C)c2ccccc2)cc1OC 4713956 NTCUKRWAYYBLKW-KZKLBEMASA-N 312.369 3.223 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2cccs2)C1(C#N)C#N 4730760 KLKSDIDELSZPPD-IAQYHMDHSA-N 306.394 3.342 50 40 DGGB CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 6617797 ZKHVNJJLFBZGSP-NBVRZTHBSA-N 320.392 3.351 50 40 DGGB C/C(=N\NC(=O)Cc1cccs1)c1cc(Cl)ccc1O 8446734 QCSKCDITLBKMTP-CXUHLZMHSA-N 308.790 3.190 50 40 DGGB O=[N+]([O-])c1cc(Br)c(F)cc1CBr 169801402 CIVBSGVUHUXAOJ-UHFFFAOYSA-N 312.920 3.391 50 40 DGGB Cc1nc(N(C)C(=O)Cl)sc1C(=O)Nc1ccccc1 255189983 UFUDIHKWRFUDLL-UHFFFAOYSA-N 309.778 3.499 50 40 DGGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1nccs1 3178903 TVOCSOLODRKHNI-JXMROGBWSA-N 321.308 3.290 50 40 DGGB COc1ccc(C/C(C)=N/NC(=O)Cc2cccs2)cc1 4679271 NIHXJOGVIVKDPI-SFQUDFHCSA-N 302.399 3.034 50 40 DGGB COC1CCC(/C(C#N)=C\[C@H]2CC[C@H](OC)[C@H](OC)C2)CC1 5328156 LDKOSUQNGUYOSJ-JAFUXLCJSA-N 307.434 3.472 50 40 DGGB O=C(N/N=C\C=C\c1ccco1)c1ccccc1-n1cccc1 12362658 BWMJLJCVTJGVQG-LIVRDFCGSA-N 305.337 3.499 50 40 DGGB CN(C)C1CCC(/C=C(/C#N)C2CCC([N+](=O)[O-])CC2)CC1 17022924 QGSRCEFRUDMEFQ-PTNGSMBKSA-N 305.422 3.392 50 40 DGGB C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)C2 100011741 VWJROIUSFOLGSX-JEZHCXPESA-N 310.029 3.152 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cc1 195752244 JAKSBUPOFIQWDS-LSCVHKIXSA-N 316.744 3.141 50 40 DGGB C[C@H]1CCCCN1c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 222532283 ZDMIEQJESMIFNZ-STQMWFEESA-N 320.820 3.184 50 40 DGGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1O[C@@H](C)CC 408544662 WLFNMEJRSBDMNE-ZWSXMNCCSA-N 304.415 3.456 50 40 DGGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(=O)N1CCCC1 409369319 KQPRENCGOIFIKQ-RVDMUPIBSA-N 317.348 3.348 50 40 DGGB Cc1ccc(-c2ccc(/C=N/NC(N)=O)o2)c(Br)c1 1105574 GPOUKLUZYVVLFU-FRKPEAEDSA-N 322.162 3.020 50 40 DGGB NC(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 4616849 LQKMURIICAUEIO-CIAFOILYSA-N 319.364 3.421 50 40 DGGB CC1=C/C(=N\NC(=O)COc2ccc(C#N)cc2)CC(C)(C)C1 5517151 RPXVIQFDIHZILZ-HMMYKYKNSA-N 311.385 3.176 50 40 DGGB O=S1(=O)c2ccccc2[C@@H](OO)N1c1ccccc1Cl 59663173 OHPYSPJNQDNDOQ-CYBMUJFWSA-N 311.746 3.037 50 40 DGGB Cn1c(/C(C#N)=C/c2cccc(C#N)c2)nnc1-c1ccccc1 66408229 RZNITHRUSFSUNX-GZTJUZNOSA-N 311.348 3.418 50 40 DGGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C 409370933 VNBPGURPKJWSNK-GDNBJRDFSA-N 309.369 3.376 50 40 DGGB CC1(C)CCC2=C(C1=O)[C@@H](c1cccs1)C(C#N)=C(N)O2 4599429 CFOWZPGAUPOOFG-GFCCVEGCSA-N 300.383 3.199 50 40 DGGB NNC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127566 XCCSLVAXLIJCBR-UHFFFAOYSA-N 322.151 3.405 50 40 DGGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1Cl 252193 LPFFAEHIQZOTBB-DJKKODMXSA-N 305.740 3.041 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1O 5069406 QBBJPPMIRUKLHS-CBJRRHEPSA-N 314.385 3.003 50 40 DGGB Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 237320 ZHMXZYQSTUGZPJ-NPRIEWAGSA-N 324.428 3.012 50 40 DGGB C/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(C)cc1 4393972 RFDFZSKYMJRZRF-RCCKNPSSSA-N 323.396 3.254 50 40 DGGB COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1O 5590343 TXHJKCADNNFGRS-UKTHLTGXSA-N 305.337 3.352 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@@H]1CC=CCC1 6269239 ZTOOXEKSFMUMAU-HVOBPNNYSA-N 306.793 3.486 50 40 DGGB CCOc1ccccc1/C=C(\C#N)c1nnc2n1CCCCC2 7158911 AOHUABVHEULFQH-NTCAYCPXSA-N 308.385 3.467 50 40 DGGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916584 ACKRUUQHZFWSIU-GOSISDBHSA-N 320.348 3.175 50 40 DGGB Cc1c(/C=C(\C#N)C(=O)NC2CCCCCCC2)cc(C#N)n1C 45934543 VKJXGICQZZRUSQ-MHWRWJLKSA-N 324.428 3.341 50 40 DGGB Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCCCC1 59434261 GCXTZYZOYDFMTI-UHFFFAOYSA-N 321.808 3.413 50 40 DGGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 108210475 XCYSGADXVQJJAA-WQLSENKSSA-N 311.272 3.280 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1C 408785934 JZXWSCNYPAWTNI-DEDYPNTBSA-N 320.396 3.197 50 40 DGGB O=C(NN=C1CCCCCCC1)[C@@H]1COc2ccccc2O1 5604802 YASASHJYLBCOHC-INIZCTEOSA-N 302.374 3.043 50 40 DGGB N#C/C(=C/c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1 13827570 XGHYFEJMJXGPGN-CHLGNXTCSA-N 321.332 3.261 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(C)c2)cc1 193794296 FAAVFZYTTPQNFS-BOPFTXTBSA-N 306.365 3.227 50 40 DGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccco1 90728 ACRBRWAWWYIADB-ZDUSSCGKSA-N 322.299 3.027 50 40 DGGB O=C(NN=C1CCCCCC1)c1cccc(N2CCCC2=O)c1 333818 KTGNRYGHGUNIDQ-UHFFFAOYSA-N 313.401 3.253 50 40 DGGB Nc1nc(Nc2cccc(Cl)c2)nc(C(Cl)Cl)n1 1431386 WPPOQZKUEJTKRG-UHFFFAOYSA-N 304.568 3.327 50 40 DGGB O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(F)c1 1569434 UKWJILVCUWANRY-UHFFFAOYSA-N 308.312 3.054 50 40 DGGB Cc1cccc(NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 2274855 AVHNAQDZKPWIKP-UHFFFAOYSA-N 318.192 3.271 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Cc2cc(C)ccc2C)cc1 409366259 TVMPUNYQNYGVPC-HMMYKYKNSA-N 310.397 3.395 50 40 DGGB CCOc1ccccc1/C=N\NC(=O)Cc1cc(C)ccc1C 409360432 FJZHYZFPNKFSKZ-MOSHPQCFSA-N 310.397 3.395 50 40 DGGB NNC(=O)c1ccc2nc(-c3ccccc3Cl)sc2c1 73635092 SRHBMWIATNANKM-UHFFFAOYSA-N 303.774 3.220 50 40 DGGB O=C(Cc1c[nH]c2ccccc12)N/N=C\c1c[nH]c2ccccc12 96236138 UDVFDTNZWTXITC-UUYOSTAYSA-N 316.364 3.342 50 40 DGGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C#N)c1 6224740 UJBRBBSBRAHAAE-LHHJGKSTSA-N 319.276 3.259 50 40 DGGB Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/c2cccs2)c1 93909 JUUCJQFTSNXGKF-VGSSETLESA-N 302.399 3.283 50 40 DGGB Cc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1O 308006 AATQCXWHTKSDAE-VCHYOVAHSA-N 302.761 3.047 50 40 DGGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C2\CCSC2)cc1 23216247 GPGRJSGHWWHRMT-OBGWFSINSA-N 313.426 3.317 50 40 DGGB CCN(NC(=O)c1cnc2onc(C)c2c1)c1ccc(C)cc1 30936234 KWLGKOJFVTWWDK-UHFFFAOYSA-N 310.357 3.011 50 40 DGGB CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1CBr 1857775464 YKFOERYPFCFEPH-UHFFFAOYSA-N 316.151 3.445 50 40 DGGB C[C@]12CCCC=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H]2c1cccnc1 120789 BEMKWGPBQWPLRQ-AEFFLSMTSA-N 315.380 3.065 50 40 DGGB C[C@@]12CC[C@H]([C@H](Br)C1=O)[C@]2(C)CBr 104922290 DCDNKSJBRIJYEC-KDDQHCCQSA-N 310.029 3.150 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1 59333742 NYHYZNCJCIAGIB-WJDWOHSUSA-N 324.355 3.400 50 40 DGGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 59133188 AYAFOOQWFLCGSF-LFIBNONCSA-N 320.348 3.466 50 40 DGGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C)cc1O 20195404 NVIAZNGIWYOTBE-HMMYKYKNSA-N 310.397 3.400 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OCC 408809854 SHBZRVOCXBFJQP-LERPTODRSA-N 316.401 3.306 50 40 DGGB COc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 585299 GLPFLFWMDMGEMB-WOJGMQOQSA-N 302.761 3.041 50 40 DGGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccnc1 567309 YJVRSOKDMOFAOT-VDCVXVNISA-N 319.817 3.366 50 40 DGGB O=C(CCl)N(Cc1cccs1)c1cccc([N+](=O)[O-])c1 273584 ZDKFSBQBKVSWKT-UHFFFAOYSA-N 310.762 3.428 50 40 DGGB Cc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(O)c1 308010 QIYSLHWAFNWSNV-VCHYOVAHSA-N 302.761 3.047 50 40 DGGB CCOc1ccc(/C(C)=N\NC(=O)c2cccc(F)c2)cc1 4695836 IHZNEYWEVJDGMX-UNOMPAQXSA-N 300.333 3.378 50 40 DGGB Cc1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1 5364237 BCUITIRMZAAYHX-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB COC(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 13004691 VATKLUUGJVYEEY-ACCUITESSA-N 318.336 3.326 50 40 DGGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccc2ncccc12 13122329 QSNSCWDBXBGTKO-SDNWHVSQSA-N 315.332 3.486 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 13305406 SBWDKZHVDWOBJN-JLHYYAGUSA-N 323.308 3.149 50 40 DGGB C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1 16322363 FWLJMBJQSUPFPQ-SJWFJVLYSA-N 302.761 3.258 50 40 DGGB COc1cccc(C(=O)N/N=C/c2cccn2-c2ccccc2)c1 408858356 RRAXGQFJHKZJBR-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB CC(C)/C=N/NC(=O)c1ccc(OC(F)(F)C(F)F)cc1 370427 UIPQSSKSFYGYFS-CNHKJKLMSA-N 306.259 3.295 50 40 DGGB CCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1 1706473 XTWPHUBWNUSDMY-UHFFFAOYSA-N 304.217 3.076 50 40 DGGB CC1(C)CCC2=C(C1=O)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 4591719 VBNWVEKHUBEMJR-CQSZACIVSA-N 312.344 3.277 50 40 DGGB CC(C)NC(=O)/C(C#N)=C/c1ccc(Br)cc1F 7058201 XWVFBDASSAWBGQ-BJMVGYQFSA-N 311.154 3.020 50 40 DGGB N#CC1=C2CCCCCN2c2ccc(Cl)cc2S1(=O)=O 67172876 GQAKEQZDJZISOS-UHFFFAOYSA-N 308.790 3.243 50 40 DGGB CCOc1cc(Cl)cc(/C=N/NC(=O)c2cccs2)c1O 569161 MRTFQIWBMSFIFA-LZYBPNLTSA-N 324.789 3.270 50 40 DGGB C=CCOc1cccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1 4714674 CAZGWNBRZKIYHZ-SQVRNEIYSA-N 324.380 3.089 50 40 DGGB Cc1ccccc1OCC(=O)C(C#N)=C1Nc2ccccc2N1 8577987 IBYKKONHDFQQJB-UHFFFAOYSA-N 305.337 3.216 50 40 DGGB Cc1cccc(C(=O)NN(C)c2cc(C)c(C#N)c(Cl)n2)c1 12462740 VKGRSELYMUYSOG-UHFFFAOYSA-N 314.776 3.005 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(Cl)c1 13842597 QEKKMUPUEIPZSK-YBFXNURJSA-N 315.804 3.478 50 40 DGGB N#C/C(=C/c1ccco1)C(=O)Nc1cccc(Cn2cccn2)c1 98042571 LHJRXUFJVMBDRE-PTNGSMBKSA-N 318.336 3.070 50 40 DGGB CCC(=O)Nc1ccc(C(=O)N/N=C2\CCC[C@H](C)C2)cc1 588248 YVZNRZORAIBJCC-OGAOFSLMSA-N 301.390 3.331 50 40 DGGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1Br 4150424 NQGXKGHXKDPTPM-MESZPNHGSA-N 319.202 3.377 50 40 DGGB C/C(=N\NC(=O)c1ccccn1)c1ccc2ccccc2c1O 4986706 OFJRCCVXVXPGMG-UDWIEESQSA-N 305.337 3.094 50 40 DGGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 6366578 AYKSAOYEJGSOGK-NTCAYCPXSA-N 321.380 3.307 50 40 DGGB COc1cccc(CC(=O)NNc2ccccc2C(F)(F)F)c1 6654334 KBOBCLGXVPJEQW-UHFFFAOYSA-N 324.302 3.400 50 40 DGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1O 15012241 VEGDLAPHMIPUKI-WQLSENKSSA-N 312.300 3.086 50 40 DGGB N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Cl)c1Cl 19597210 OLZWHGUGWMTZJB-UHFFFAOYSA-N 323.208 3.212 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4953726 PRPRYTRPWWMJGF-FMIVXFBMSA-N 311.272 3.280 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 6828922 ISSVXXYWQPIOBR-XYOKQWHBSA-N 311.272 3.280 50 40 DGGB O=C(CCl)Nc1ccc(OCCOc2ccccc2)cc1 13609372 CNVBLUJHQJXKSB-UHFFFAOYSA-N 305.761 3.322 50 40 DGGB O=C(CCl)Nc1nc2c(F)cc(Br)cc2s1 20131788 WTFHLHRNWPSDMR-UHFFFAOYSA-N 323.574 3.375 50 40 DGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccco1 59473057 QDZBPERIKGWDRL-LZYBPNLTSA-N 308.790 3.317 50 40 DGGB O=C(N/N=C\c1ccccc1O)c1ccc(Cl)cc1Cl 95938412 IYMICKKRYWWXOI-IUXPMGMMSA-N 309.152 3.463 50 40 DGGB CC(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 208466046 ICTNBROICWTHIV-GIJQJNRQSA-N 305.809 3.442 50 40 DGGB O=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)F 2530890 HCDUVTZKWYZNJA-UHFFFAOYSA-N 308.950 3.079 50 40 DGGB COc1cc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1O 13952850 NIXVYTRRBBGZJX-BXRKRMDBSA-N 324.380 3.045 50 40 DGGB CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(OC)cc2)cc1 5511814 LARBIXKNDYMWJD-PMMWVYMGSA-N 324.380 3.257 50 40 DGGB COC(=O)c1cc(C#N)c(CBr)c(C(F)(F)F)c1 575342620 UMAVGNFZEDCERC-UHFFFAOYSA-N 322.080 3.259 50 40 DGGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Cl)ccc1O 308013 FISVCLUYOHYQSS-GIJQJNRQSA-N 323.179 3.392 50 40 DGGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1 4453389 YJSKZOJQBFCRNU-AWEZNQCLSA-N 308.385 3.314 50 40 DGGB O=S(=O)(NC1CCCCCC1)c1ccc(CCCl)cc1 20190793 OYYATVFLILKWRO-UHFFFAOYSA-N 315.866 3.469 50 40 DGGB CC[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21287738 HQFTWVVXLJALGQ-SSDOTTSWSA-N 305.256 3.103 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C2/CCc3ccccc32)c1 35786939 KOIXYYKLAVCQCH-JZJYNLBNSA-N 308.381 3.149 50 40 DGGB CC1(C)CC(=O)[C@@H](C(=O)/C=C/c2ccccc2)C(=O)[C@H]1Cl 104832578 KPBJIZJJLHQZMY-MOIGAOQCSA-N 304.773 3.061 50 40 DGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 408754947 SVPGFWXJZYWDGO-RGVLZGJSSA-N 318.332 3.332 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1Cl 4592403 VVIOAPYAVDTTCV-UHFFFAOYSA-N 323.179 3.377 50 40 DGGB Cc1[nH]nc2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 5646394 NGDFAGAHUUPVBY-HNNXBMFYSA-N 308.385 3.234 50 40 DGGB Cc1ccccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7384096 NZCKJUISCVHFFM-XSFVSMFZSA-N 307.397 3.359 50 40 DGGB CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)cc1O 9694752 KDEUDEXYVFZBQU-ZEQSIELKSA-N 324.380 3.263 50 40 DGGB CS(=O)(=O)c1cc(Br)ccc1CCCCl 199785089 UEOUUQZCADKRBI-UHFFFAOYSA-N 311.628 3.024 50 40 DGGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(O)c1 220409 UUYZBDUIMJFGDW-CIAFOILYSA-N 319.364 3.108 50 40 DGGB Cc1ccc(SCc2[nH]nc3c2[C@H](C)C(C#N)=C(N)O3)cc1 4147644 JXAAOVHLTDOTPP-SNVBAGLBSA-N 312.398 3.200 50 40 DGGB Nc1ccccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 145367 YFBBLPMKWMGEMK-CNHKJKLMSA-N 324.167 3.045 50 40 DGGB O=C(Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 2521293 ABVAQSLKLIFMJO-UHFFFAOYSA-N 315.638 3.387 50 40 DGGB O=C(CCCl)OC1C[C@H]2CC[C@H](C1)N2CCc1ccccc1 3141787 YKPJJXAZTXLWLB-HZPDHXFCSA-N 321.848 3.397 50 40 DGGB CC/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1 5727609 ZIFQZLNSMABQQE-XDJHFCHBSA-N 301.777 3.466 50 40 DGGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C(C#N)=C(N)O1 6237955 HXGMNEDRKJRKSV-HNNXBMFYSA-N 312.369 3.110 50 40 DGGB Cc1cc(C)nc(NNC(=O)C2CCC(C(C)(C)C)CC2)n1 13004623 SOJMJIGQAGNBRE-UHFFFAOYSA-N 304.438 3.389 50 40 DGGB O[C@]1(c2ccccc2)CN(CCl)C[C@@H](c2ccccc2)O1 31924495 XJXACMLAUGTSFM-DLBZAZTESA-N 303.789 3.102 50 40 DGGB CCC[C@H](C(=O)NN)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223221674 RBEXLKORXYNMFL-XJKSGUPXSA-N 303.450 3.246 50 40 DGGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccncc1 346869 SELLBXVSWRWVOI-UHFFFAOYSA-N 301.349 3.264 50 40 DGGB CNC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 545146 COKWDXDLRHMQJS-CSKARUKUSA-N 309.350 3.209 50 40 DGGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 408766129 PDUGTZWVEDPNBW-VCHYOVAHSA-N 316.744 3.029 50 40 DGGB CC(/C=N/NC(=O)[C@@H](C#N)c1ccccc1)=C\c1ccccc1 409205635 RRHMZAIAOOHQQB-CFNZVUNSSA-N 303.365 3.499 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2C)c(O)c1 409392234 OHRHMHAYSSHKJP-CPNJWEJPSA-N 312.369 3.172 50 40 DGGB N#CC1=C(Nc2ccccc2)S[C@H](c2cccs2)NC1=O 1590866 DFILSZJEVPPJEA-OAHLLOKOSA-N 313.407 3.457 50 40 DGGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C)[C@H]2Br 2566604 GAYCFDDDUIMMOM-BDODKLCJSA-N 310.029 3.293 50 40 DGGB CCCc1n[nH]c2c1[C@H](c1ccc(CC)cc1)C(C#N)=C(N)O2 5095131 IYKMNFXFUSIAJM-OAHLLOKOSA-N 308.385 3.143 50 40 DGGB COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OC 12406857 SJNXVHPBPPXNKG-ZDLGFXPLSA-N 318.760 3.121 50 40 DGGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 59333497 RORMKWQBUIFVDS-ATVHPVEESA-N 306.365 3.261 50 40 DGGB Cc1ccn2c(C(=O)N/N=C/c3sccc3C)c(C)nc2c1 59435661 NVGZBQAKSMUHRT-RQZCQDPDSA-N 312.398 3.085 50 40 DGGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1 408776968 SPOPJOLKKGWSLA-DHDCSXOGSA-N 307.353 3.414 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccccc2F)c2ccccc2n1 262797 YGSKWWRMSJTEBA-RGVLZGJSSA-N 307.328 3.446 50 40 DGGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc(O)c1 366266 RSHJUKZSHUQUOT-RGVLZGJSSA-N 319.364 3.321 50 40 DGGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccc(F)cc1 1465038 HXRVNNMMKWRBKC-UHFFFAOYSA-N 322.295 3.484 50 40 DGGB Cc1c(C(=O)Oc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 4503088 VIGQADTYWQPOTJ-UHFFFAOYSA-N 302.242 3.031 50 40 DGGB CC[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21287739 HQFTWVVXLJALGQ-ZETCQYMHSA-N 305.256 3.103 50 40 DGGB O=C(N/N=C/c1ccccc1O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 100469235 PHYPQNLAVSJGAL-KADWOXNDSA-N 312.413 3.449 50 40 DGGB NNC(=O)CCc1ccc(OCc2cccc3ccccc23)cc1 226345296 RYMTZRITKUIIRX-UHFFFAOYSA-N 320.392 3.341 50 40 DGGB COc1ccc2cc(/C=N/NC(=O)CC(C)C)c(Cl)nc2c1 4502693 RUYOXZVMHZTISC-GIJQJNRQSA-N 319.792 3.393 50 40 DGGB Cc1ccccc1C(=O)[C@@H](Br)CBr 307044391 XBZASLCFIYGIAY-VIFPVBQESA-N 305.997 3.336 50 40 DGGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 12815778 XMUAGQZAZPNTRJ-UHFFFAOYSA-N 320.439 3.153 50 40 DGGB C[C@H]1CCC[C@H](C)N1C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 34859284 UGUDHZAZJHVLTJ-JRMKUJCASA-N 312.369 3.112 50 40 DGGB CCc1ccccc1NC(=S)NNC(=O)c1ccccc1F 5274152 RNXQUNUFDGLTPS-UHFFFAOYSA-N 317.389 3.020 50 40 DGGB CC(C)=C[C@H]1[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C 53754606 WFHCBPAIAYBUPW-SMDDNHRTSA-N 303.362 3.276 50 40 DGGB Cc1cccc(O[C@@H](C)C(=O)NN=C2CCSCC2)c1C 58668720 GLLPVHPPWSCOBF-ZDUSSCGKSA-N 306.431 3.070 50 40 DGGB NNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)sc2c1 73635169 WUQOKBSWESTGPM-UHFFFAOYSA-N 303.774 3.220 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(Cl)c1 408749069 KXTBWIKWMCDVGT-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2C#Cc1ccccc1 99941 PDGWLXMAHRVODU-AWEZNQCLSA-N 318.376 3.022 50 40 DGGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c1 313685 SEEJSANAUCWVQV-RNEAKCBISA-N 314.410 3.326 50 40 DGGB O=S1(=O)Cc2ccccc2[C@H](Br)c2ccccc21 346897 UWVLVNIKYVEABC-AWEZNQCLSA-N 323.211 3.458 50 40 DGGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1O 3239788 SRDQZKOTFWRBLC-DJKKODMXSA-N 308.259 3.175 50 40 DGGB C/C(=N\NC(=O)Cc1nc(-c2ccccc2)cs1)c1ccc[nH]1 7766420 PRFKHXNQARTMIX-UDWIEESQSA-N 324.409 3.221 50 40 DGGB O=C(Nc1nccs1)[C@H](Br)Cc1ccccc1 11692936 TVQNHERHXYWKJE-SNVBAGLBSA-N 311.204 3.088 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2c[nH]c3ccccc23)cc1 15938470 ZXDRHMGCGAPRDA-UDWIEESQSA-N 307.353 3.331 50 40 DGGB O=S(=O)(N[C@H]1CCCC[C@H]1Cl)c1ccc(Cl)cc1 59453742 OOUJPCMFFDCVBG-NEPJUHHUSA-N 308.230 3.168 50 40 DGGB Cc1cc(NS(=O)(=O)c2ccccc2)ccc1SC#N 95471113 PIPOPGBJOCHFOD-UHFFFAOYSA-N 304.396 3.369 50 40 DGGB N#C/C(=C1/NC(=O)c2ccccc21)c1nc2ccccc2s1 104204772 QKUNOVQUGFYDGC-QINSGFPZSA-N 303.346 3.432 50 40 DGGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(O)c1 408765726 NMGUGENNYXMIAP-ZROIWOOFSA-N 306.321 3.140 50 40 DGGB CCCCCCC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl 1576977 PXDROCOEYXYTLB-PSASIEDQSA-N 304.645 3.193 50 40 DGGB Cc1c(C#N)c(NC(=O)CCl)n(Cc2cccs2)c1C 3440533 LIEMSBPQNKXNBW-UHFFFAOYSA-N 307.806 3.264 50 40 DGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1N 6935153 ZKZVCAOYZGLWPY-VXLYETTFSA-N 317.776 3.085 50 40 DGGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccccc1O)CCC2 5020469 UROFMYIDJDHVHV-LVZFUZTISA-N 308.381 3.479 50 40 DGGB C/C(=N\NC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1 6528832 BNPDHUVQEUOSPT-KEBDBYFISA-N 307.275 3.254 50 40 DGGB N#C/C(=C\c1ccc2[nH]ccc2c1)C(=O)Nc1ccc(O)cc1 61720377 BQRJRCVUAIDAEL-GXDHUFHOSA-N 303.321 3.419 50 40 DGGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846178 PYSQTTIXDALLSF-SFHVURJKSA-N 319.364 3.052 50 40 DGGB N#Cc1ccccc1-c1ccc(/C=N\NC(=O)c2ccco2)o1 195752256 FMOGZJWAHGXJCV-ODLFYWEKSA-N 305.293 3.175 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1 6410512 NZHXSKUPXMUKFB-SWEABUAFSA-N 306.365 3.480 50 40 DGGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 85409016 ZRFQKUKXEPVFQJ-KRWDZBQOSA-N 308.337 3.009 50 40 DGGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)c1ccccc1Br 100053938 ULIQFSGKYRMOLZ-WBVUFQPPSA-N 307.191 3.355 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2sccc2C)c(C)c1 6843908 AUYFEUUOSOIMNH-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2cn(C)c3ccccc23)cc1C 408565878 BZOBYXSHCUOQPR-CIAFOILYSA-N 319.408 3.488 50 40 DGGB Cc1ccc(N[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 237323 ZHMXZYQSTUGZPJ-OOWUWCJESA-N 324.428 3.012 50 40 DGGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 3100149 KEFMYDOEKLBQMV-CGOBSMCZSA-N 314.213 3.146 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1ccc(C(F)(F)F)cc1 3576118 SDWAHHIJTCXPAA-RGVLZGJSSA-N 306.287 3.398 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccccc2Cl)s1 5969487 CECAMRWQELGFPU-LZYBPNLTSA-N 308.790 3.239 50 40 DGGB COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1 95611993 YEEFDJRKEUKDLV-UHFFFAOYSA-N 308.317 3.335 50 40 DGGB O=C(CSc1nc2ccccc2[nH]1)NN=C1CCCCC1 45301 MEUFWUBEVGWGET-UHFFFAOYSA-N 302.403 3.091 50 40 DGGB CC(=O)O[C@@H](C)[C@]12CC[C@H](C=C1C#N)CN2Cc1ccccc1 1708650 AUYUQMTWUXZUJU-POZUXBRTSA-N 310.397 3.053 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1 26123920 NNJHLBFIKSLCFM-XSFVSMFZSA-N 324.380 3.414 50 40 DGGB CCCCOc1ccc(NC(=O)N/N=C\c2ccncc2)cc1 32666353 YEPKEYORUOCKAW-UYRXBGFRSA-N 312.373 3.416 50 40 DGGB CC(C)c1noc2ncc(C(=O)N3CCSSCC3)cc12 89891212 VNLLOBZGYFQRNF-UHFFFAOYSA-N 323.443 3.183 50 40 DGGB [C-]#[N+][C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 95686561 FSVLATNYQZFZTR-OAHLLOKOSA-N 316.338 3.295 50 40 DGGB COc1ccc(OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1 102706695 JMBIECTVXNVXFW-VKAVYKQESA-N 321.336 3.443 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 252495942 PDTHSPMXUUZIBP-FLIBITNWSA-N 312.281 3.243 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)c(F)c1 408964182 BPDDQEUQMQHOMZ-DJKKODMXSA-N 301.708 3.115 50 40 DGGB O=C(N/N=C/c1ccccc1Br)NC1CCCCC1 3245910 CJLZKNYXTQNNBM-MHWRWJLKSA-N 324.222 3.415 50 40 DGGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1cccs1 5896991 OJGHHPNXOXJIMJ-CQSZACIVSA-N 322.345 3.073 50 40 DGGB CCOc1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1 6949987 MAHACGXYMOISNF-QGOAFFKASA-N 320.392 3.351 50 40 DGGB C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Cl)s1 8462025 VMEPQMULXABDFC-CHHVJCJISA-N 308.794 3.156 50 40 DGGB C=CCOc1c(Br)cc(C=C(C#N)C#N)cc1OC 11285045 XATZXROXWANMOX-UHFFFAOYSA-N 319.158 3.453 50 40 DGGB CCOc1cccc(/C=C(\C#N)c2nnc3n2CCCCC3)c1 44022576 LAVOEPSOLWKSNN-RVDMUPIBSA-N 308.385 3.467 50 40 DGGB C[C@@H]1CC=CC[C@@H]1[C@H]1OC[C@@H](COC(CCl)CCl)O1 254607159 LFSDIKGFYKMUGR-ZZVYKPCYSA-N 309.233 3.193 50 40 DGGB O=C1OC(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@@H]12)C3(c1ccccc1)c1ccccc1 104086911 PVVNVOVWHMQXEI-WNRNVDISSA-N 316.356 3.104 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 100549683 ZEQULRLHFNCTKT-HODBSQEVSA-N 316.401 3.246 50 40 DGGB COCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104194227 NDXSUKUWTFETGX-UHFFFAOYSA-N 322.388 3.359 50 40 DGGB CCOC(=O)/C(C#N)=C\Nc1nc2ccc(Cl)cc2s1 10384904 UAAGXSPSENWJJD-FPLPWBNLSA-N 307.762 3.332 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)s1 13058581 DAMGOKJJJGYJKR-DHZHZOJOSA-N 312.350 3.300 50 40 DGGB CCOc1ccc(N/C=C(\C#N)C(=O)NCc2ccccc2)cc1 5021739 FXVGDAKDQXJIPT-JQIJEIRASA-N 321.380 3.221 50 40 DGGB COc1ccc(O)c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 4979917 PBRQEXKWRUASAX-HAIRLQBDSA-N 314.385 3.003 50 40 DGGB NNC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 226236175 LDCMHQCRCGCBIF-UHFFFAOYSA-N 321.167 3.140 50 40 DGGB COc1ccc(C(=O)/C=C(\C)NNC(=O)c2cccc(C)c2)cc1 4492400 RZFIKCYXSYMGCT-WYMLVPIESA-N 324.380 3.025 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 58857 CYOHTHYMLPCUEI-SRZZPIQSSA-N 306.369 3.039 50 40 DGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(C#N)cc1F 4544637 WPRXKMIDGUXYRL-UFFVCSGVSA-N 320.327 3.251 50 40 DGGB O=C1OO[C@H]2[C@H]1[C@H]1CC[C@@H]2C1(c1ccccc1)c1ccccc1 104068201 GBVPUFCBQNKZNW-XMTFNYHQSA-N 306.361 3.486 50 40 DGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Cl)c1O 408816278 TVJROWNMUZGUFG-HAAVITCDSA-N 322.792 3.266 50 40 DGGB COc1cc(/C=C(\C#N)c2nc(C)cs2)cc2c1OCO2 8207541 DNADMNRRLNUOCR-QDEBKDIKSA-N 300.339 3.253 50 40 DGGB NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 226333458 PKDRSJWPTNAKHG-XBXARRHUSA-N 320.751 3.061 50 40 DGGB O=C(COc1ccc(Cl)cc1Cl)NN=C1CCCC1 112885 JPDUKYMKMHKTOK-UHFFFAOYSA-N 301.173 3.418 50 40 DGGB C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccccc1Cl 4993466 KAVPRRCGCXIXQM-YVLHZVERSA-N 304.781 3.341 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)c1 16409813 KHLRSVXTVNBYAZ-NTEUORMPSA-N 308.337 3.249 50 40 DGGB CCOc1ccccc1C(=O)OC(=O)c1ccccc1OCC 100071234 NCXZRVZBKCHXJR-UHFFFAOYSA-N 314.337 3.481 50 40 DGGB CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccccc1O 135635707 UGVUHYVZFGFTLT-BQYQJAHWSA-N 303.321 3.336 50 40 DGGB Cc1cccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)c1 408590867 QVHGVVFJFUJRDS-YBFXNURJSA-N 312.369 3.252 50 40 DGGB C/C(=N\NC(=O)c1ccc2ccccc2c1O)c1cccc(N)c1 17054904 LCPZOPYQWAGPNS-CIAFOILYSA-N 319.364 3.282 50 40 DGGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccs1 251898 NMWKVWOHOBFXMY-YBFXNURJSA-N 309.394 3.464 50 40 DGGB COc1cccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)c1 4462637 JXUQGOMZDODUQK-KEBDBYFISA-N 322.286 3.478 50 40 DGGB Cc1cc(I)cc(C)c1NC(=O)CCl 559389 ACOAGHUXMHPBNN-UHFFFAOYSA-N 323.561 3.085 50 40 DGGB O=C(N/N=C/c1ccco1)c1ccc(N/N=C/c2ccco2)cc1 20785197 HNAHNTPIBFRDKG-GDAWTGGTSA-N 322.324 3.083 50 40 DGGB C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 112781 UGBBHAHWMQNNJN-YVLHZVERSA-N 317.732 3.402 50 40 DGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)cc1 259535 JZFAAEUYVDJBJB-CAOOACKPSA-N 309.152 3.463 50 40 DGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 1449726 KPPUMBRZAAAVMJ-GIJQJNRQSA-N 306.724 3.008 50 40 DGGB O=C(CCCCl)[n+]1cccc(-c2nc3ccccc3[nH]2)c1 4355031 LWCPZEGHNMRISF-UHFFFAOYSA-N 300.769 3.177 50 40 DGGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC 9200824 NJIKXXITBNFSFY-XDHOZWIPSA-N 312.369 3.166 50 40 DGGB COC(=O)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O 30814057 AOYGOEOVLASZNI-ZDLGFXPLSA-N 318.760 3.326 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 36137582 LLOXTGIRPVBAKX-MDWZMJQESA-N 323.308 3.155 50 40 DGGB Cc1ccc(S(=O)(=O)N[C@@H](CCl)c2ccccc2)cc1 2573259 JCIHMVMXJDYETN-HNNXBMFYSA-N 309.818 3.253 50 40 DGGB N#C/C(=C(\S)Nc1ccccc1)S(=O)(=O)c1ccccc1 5390961 WGOLUKNPDPFBKQ-CCEZHUSRSA-N 316.407 3.195 50 40 DGGB CCN(NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)cc1 8724865 BPGFYUQOXOGHJR-UHFFFAOYSA-N 302.349 3.314 50 40 DGGB COc1cc(Cl)ccc1CNC(=O)/C(C#N)=C\c1ccco1 71886569 NNFJCGLCDYANLP-GHXNOFRVSA-N 316.744 3.165 50 40 DGGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(Cl)cc1 1041317 RYZUCLZUVAYDML-VCHYOVAHSA-N 312.760 3.060 50 40 DGGB O=C(CNC1CCCC1)NN(c1ccccc1)c1ccccc1 2634937 DVDZSVJGGGTPHO-UHFFFAOYSA-N 309.413 3.388 50 40 DGGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(C)cc1 4611374 IOWKGPXUEKUYAI-QNGOZBTKSA-N 323.396 3.058 50 40 DGGB O=C(N/N=C/c1ccsc1)c1cccc(Br)c1 4806786 GOMDBANLVHOXBK-VGOFMYFVSA-N 309.188 3.275 50 40 DGGB CCCCc1cnc(C2=NO[C@](C)(C(=O)Cl)C2)c(Cl)n1 85347611 ARUNXJDRJWSCDR-ZDUSSCGKSA-N 316.188 3.121 50 40 DGGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(-c2ccccc2)cc1 96518921 VWBXZWSQPICEMC-HZPDHXFCSA-N 324.829 3.387 50 40 DGGB N#C/C(C(=O)CCl)=C1/NC2=C(CCc3ccccc32)S1 104449399 OYPJXOBUHJEZIR-RVDMUPIBSA-N 302.786 3.181 50 40 DGGB C/C(=N\NC(=O)CNC1CCCCC1)c1cc(C)ccc1C 409377211 FRZIJNVXOCLISR-HMMYKYKNSA-N 301.434 3.066 50 40 DGGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccn2)c1 59473071 XINPEPBZXJLVQR-VXLYETTFSA-N 313.426 3.082 50 40 DGGB C[C@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CBr 100011754 DCDNKSJBRIJYEC-WPYKOPORSA-N 310.029 3.150 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1 5130536 UTWNRWYDUNZRTA-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccco2)cc(C)c1Cl 117416 WPSSSYFTJXDSSE-BEAUZRKQSA-N 320.776 3.467 50 40 DGGB C/C=C1/C[N+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 4245688 ZEMNDQUOMWGCAZ-JMWAPNIQSA-O 307.417 3.002 50 40 DGGB in-vitro C/C(=N/NC(=O)CC1(C)SCCS1)c1ccc(C)cc1 12447450 HWCOBGWZMDVJGY-VBKFSLOCSA-N 308.472 3.422 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c1 4616717 MQUZEFHEOKHZSR-XNTDXEJSSA-N 306.321 3.239 50 40 DGGB O=C(c1ccc(F)cc1)[C@H](Br)CBr 238625419 CRJSAAVSFVZXAD-MRVPVSSYSA-N 309.960 3.167 50 40 DGGB Cc1ccc(CSc2nnc(NC(=O)CCl)s2)cc1 498939 DARBFKMTYYXXAB-UHFFFAOYSA-N 313.835 3.316 50 40 DGGB CCCCc1ccc(OCC(=O)N/N=C/c2ccc(C)o2)cc1 2176484 WZYUVBONBKJBRX-XDHOZWIPSA-N 314.385 3.460 50 40 DGGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)[C@@H]1CCCO1 43972062 AKWRPWUUEXBLNW-ZOARZRDDSA-N 304.434 3.264 50 40 DGGB C[C@@H](N)c1ccccc1P(c1ccccc1)c1ccccc1 100005763 KPFJIPHGQGHIMM-MRXNPFEDSA-N 305.361 3.465 50 40 DGGB O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)o1 108578838 PUEFWQHWNZYJCA-KSQWTSCZSA-N 311.179 3.194 50 40 DGGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 186347 VXFUFRNWYAZXMW-VCHYOVAHSA-N 324.409 3.114 50 40 DGGB Cc1ccsc1/C=N/NC(=O)COc1c(C)cccc1C 491575 FVFWBXZOCLCMRI-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)c(OC)c1 5574411 LTBUOTHKYLYLGK-GXDHUFHOSA-N 324.384 3.086 50 40 DGGB COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1F 7907527 GRYKUUCZNBMKHP-UKTHLTGXSA-N 312.348 3.216 50 40 DGGB N#CCC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 59517303 IVAYOAWJXHQQJE-RQZCQDPDSA-N 319.773 3.448 50 40 DGGB CCC[C@H](C(=O)NN)N1c2c(C)cccc2C(C)=CC1(C)C 223220555 NYTLTQMLEMGMAQ-OAHLLOKOSA-N 301.434 3.156 50 40 DGGB C[C@@]12CC3CC(N4C[C@@H](C(=O)Cl)CC4=O)(C1)C[C@](C)(C3)C2 226107160 UNORUJNFWLFQQA-UVMWCMTQSA-N 309.837 3.349 50 40 DGGB COc1ccc(OC)c(/C=N/NC(=O)/C=C/c2ccc(C)cc2)c1 1098731 DBOHHUXWOPZVQK-DFMPKFEDSA-N 324.380 3.176 50 40 DGGB CC(=O)c1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 1590904 WAZZDGCPYCXDGF-UHFFFAOYSA-N 316.316 3.158 50 40 DGGB COc1ccc([C@@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)cc1 4094583 WDISBTDPEIHQJZ-SFHVURJKSA-N 324.380 3.146 50 40 DGGB COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC 12855677 DXJQEUHRJMIGTQ-WDZFZDKYSA-N 318.329 3.134 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 1001436 QHCWNDHTNWAHPQ-OBRQHJJDSA-N 300.402 3.166 50 40 DGGB Cc1cc(/C=N/N(C)C)ccc1N(CCCl)CCCl 1731924 GNPXBWBBKXFRMP-GZTJUZNOSA-N 302.249 3.175 50 40 DGGB CC/C(C)=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1C 12401988 URNCMNSRXWPMCS-ZDLGFXPLSA-N 309.797 3.269 50 40 DGGB Cc1ccc(-c2nc(C#N)c(NNC(=O)c3ccccc3)o2)cc1 41154482 FYHCHOXOPIOCDV-UHFFFAOYSA-N 318.336 3.279 50 40 DGGB COc1ccc(C(=O)/C(C#N)=C/c2cnn3ccccc23)cc1 95948559 WDYMWRGFRZUJBK-GXDHUFHOSA-N 303.321 3.133 50 40 DGGB CC1(C)CC(=O)[C@H](C(=O)/C=C/c2ccccc2)C(=O)[C@@H]1Cl 104832569 KPBJIZJJLHQZMY-IVFUDNFBSA-N 304.773 3.061 50 40 DGGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408790839 RIHIAKNQFCWSKT-SDNWHVSQSA-N 308.337 3.337 50 40 DGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2CC)cc1 408933713 KHSAYLDPUHNZQD-OWBHPGMISA-N 309.369 3.452 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 576787 ILKFUCTXKFHMGO-RGVLZGJSSA-N 307.353 3.331 50 40 DGGB Cc1ccc(S(=O)(=O)N[C@H](CCl)c2ccccc2)cc1 3956922 JCIHMVMXJDYETN-OAHLLOKOSA-N 309.818 3.253 50 40 DGGB O=C(COc1ccccc1F)N/N=C1/CCCc2ccccc21 18062235 JSXXIYSPRNQSGY-SILNSSARSA-N 312.344 3.061 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)ccc2O)cc1 20197237 SQAJULIMPSNQBU-XDHOZWIPSA-N 312.369 3.253 50 40 DGGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2cc(C)ccc2C)c1 59472476 IOANSBUPFZZHOY-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB CC(C)O[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br 100295799 VBCCRFGEAJEXLD-YHUYYLMFSA-N 324.262 3.448 50 40 DGGB CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2cc(C)ccc21 223213236 IYCXPPWOUSHEPC-MRXNPFEDSA-N 301.434 3.011 50 40 DGGB COc1ccc(C(=O)NN)cc1OCc1cccc2ccccc12 226322300 RFQHPLHWMREWAY-UHFFFAOYSA-N 322.364 3.031 50 40 DGGB O=S1(=O)c2ccccc2[C@H](OO)N1c1ccccc1Cl 59663169 OHPYSPJNQDNDOQ-ZDUSSCGKSA-N 311.746 3.037 50 40 DGGB CC(C)(C)c1ccc(NC(=O)CI)cc1 72226312 LWCYOFNYENTKNG-UHFFFAOYSA-N 317.170 3.358 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccsc1)Nc1ccccc12 495452 PQTQGGBRXIAICA-HNNXBMFYSA-N 317.377 3.206 50 40 DGGB COC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 2646921 MXOOMPKQQYVHCO-JXMROGBWSA-N 319.723 3.053 50 40 DGGB O=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccncc1 4018442 PYLIFENYCMGJPF-LTGZKZEYSA-N 304.353 3.033 50 40 DGGB C=CCNC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1 6262008 WQNMMQGWZTXVTR-PDGQHHTCSA-N 318.376 3.475 50 40 DGGB COc1ccc(C(=O)N/N=C2/CCCc3ccccc32)cc1OC 36158577 ZUVQTPODTWFEHZ-SILNSSARSA-N 324.380 3.174 50 40 DGGB CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 256446030 NLYNIRQVMRLPIQ-QREYYQGZSA-N 312.406 3.231 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccco2)cc1Br 409040959 VIDBWDWJCXWJOR-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CCl 538670 LJJKQPZCYYCVDH-UHFFFAOYSA-N 313.762 3.362 50 40 DGGB O=C(NNc1nc2c(F)cccc2s1)c1ccc(F)cc1 4121336 SKOWDZXXNBZAFI-UHFFFAOYSA-N 305.309 3.331 50 40 DGGB CC1(C)[C@]2(C)CC[C@@]1(Br)[C@H](Br)C2=O 4135357 YEXZCNXNSPYHTN-BDODKLCJSA-N 310.029 3.293 50 40 DGGB Cc1cc(SC#N)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 12809734 GOPJCJHODQYDCJ-QWHCGFSZSA-N 316.382 3.174 50 40 DGGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408963744 AOQBHBBQOJUNTQ-CIAFOILYSA-N 323.327 3.026 50 40 DGGB N#CCOc1ccccc1/C=N\NC(=O)c1cc2ccccc2o1 408842987 PVLFABDTGSECAD-NDENLUEZSA-N 319.320 3.099 50 40 DGGB O=C(N/N=C/c1cccc2cccnc12)[C@H]1C[C@@H]1c1ccccc1 5533720 URXMUFGGIANMSU-HWPLOXAPSA-N 315.376 3.489 50 40 DGGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)NC1CCCCC1 60132514 ZEBAMDDRHNNJPI-WQLSENKSSA-N 304.777 3.401 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccco2)c2cccnc12 75137950 GABXBZHGDJAPSI-BENRWUELSA-N 319.320 3.382 50 40 DGGB CS(=O)(=O)c1cc(Cl)c(CBr)c(Cl)c1 199555402 WRQHUFFFTMGIFV-UHFFFAOYSA-N 318.019 3.292 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c1 5619570 SXZUOZXBHCFDGI-ZROIWOOFSA-N 307.309 3.449 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1C 8334022 ALCVENFYQNRMET-KKJJZKEWSA-N 321.380 3.070 50 40 DGGB O=C(CCl)N1CCC(CN(Cc2ccccc2)C2CC2)CC1 79415124 VESXTERQZHEWRT-UHFFFAOYSA-N 320.864 3.128 50 40 DGGB O=C(N/N=C/c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 408963196 ASNALLMIYAPPGA-LICLKQGHSA-N 309.281 3.105 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)CNc2ccc(F)cc2)cc1 487196 NRXCGUCXQIDICX-FYJGNVAPSA-N 313.376 3.340 50 40 DGGB COc1ccc(C(=O)N/N=C/[C@H](C)c2ccccc2)cc1OC 4713955 NTCUKRWAYYBLKW-HCZVKUGISA-N 312.369 3.223 50 40 DGGB CCCCOC(=O)c1ccc(N/C=C(/C#N)C(=O)OCC)cc1 100503388 ILDZYGSSKJYCCZ-OWBHPGMISA-N 316.357 3.026 50 40 DGGB Cc1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252478241 AGBPWJIALGQIAC-QEHPPJGSSA-N 302.374 3.449 50 40 DGGB COc1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1Cl 252487918 IEJSGPNCARIWDV-POHAHGRESA-N 302.717 3.001 50 40 DGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)s1 8783257 KKZRJOGBBVMFHI-GFCCVEGCSA-N 306.774 3.216 50 40 DGGB N#CSc1cc(Br)c(N)c(Br)c1 34174802 YEFZRZZEOPGYRF-UHFFFAOYSA-N 307.998 3.367 50 40 DGGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1O[C@@H](C)CC 409013904 OJSXLBHWDZUIMF-VJCPFXPRSA-N 312.797 3.386 50 40 DGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 27820 XREUEUBNVNKHHU-RMNBPEERSA-N 323.179 3.177 50 40 DGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(O)cc1 4499573 LHYNPWOKKZVYOB-KEBDBYFISA-N 322.286 3.104 50 40 DGGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NC)cc1OC 6168446 KKBBHGRKMUWNSX-OGGBREFQSA-N 322.792 3.179 50 40 DGGB Cc1c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc2n1C 408820863 ZXRDEZOBUGKYIS-GXDHUFHOSA-N 319.364 3.303 50 40 DGGB CCOc1ccc(C(C)(C)C(=O)N/N=C/c2ccco2)cc1 97263 PTKAXMXQENLFHP-LDADJPATSA-N 300.358 3.106 50 40 DGGB C/C(=N/NC(=O)c1ccco1)c1ccc(Br)s1 482922 OCWGGIXLERHIFS-QPEQYQDCSA-N 313.176 3.258 50 40 DGGB COc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 1967085 TVPPUYIENUBXMN-LFIBNONCSA-N 313.378 3.342 50 40 DGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc(Cl)c2)c1 3033346 PMGRDSYRYMSELR-VXLYETTFSA-N 316.788 3.486 50 40 DGGB O=c1c2ccccc2nc(CBr)n1-c1ccccc1 3173285 ABSPAAFOOQSCDK-UHFFFAOYSA-N 315.170 3.281 50 40 DGGB C=CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OC 3276644 CUVICCVTGNBCHS-YRNVUSSQSA-N 322.158 3.094 50 40 DGGB CC(C)(C)C(=O)Nc1cccc(NC(=O)CBr)c1 35605283 PALXQEZLMVUSBX-UHFFFAOYSA-N 313.195 3.005 50 40 DGGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(C)cc2)cc1 408711697 GMXWITAGKDTCGX-HMMYKYKNSA-N 310.397 3.477 50 40 DGGB O=C(N/N=C\c1ccccc1O)c1ccccc1C(F)(F)F 408774237 YLUWYOUWLYUNPN-OCKHKDLRSA-N 308.259 3.175 50 40 DGGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(Cl)cc1 252197 UNFQOGGTGVMXSK-DJKKODMXSA-N 305.740 3.041 50 40 DGGB COC(=O)/C(C#N)=C(\Nc1ccc(Cl)cc1)C(F)(F)F 3103040 UJGQPWKKYZNBIY-KTKRTIGZSA-N 304.655 3.265 50 40 DGGB CC(C)=NNC(=O)[C@H]1CCN1C(c1ccccc1)c1ccccc1 5601620 KOUOSWFTOSBUAV-GOSISDBHSA-N 321.424 3.362 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1C 8334019 ALCVENFYQNRMET-RHLNUJDMSA-N 321.380 3.070 50 40 DGGB NNC(=O)c1ccc2nc(-c3cccc(Cl)c3)sc2c1 73635156 YXYZZUZFEQIWDH-UHFFFAOYSA-N 303.774 3.220 50 40 DGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccoc1 32810 ATIGGBDPENIFQH-CYBMUJFWSA-N 322.299 3.027 50 40 DGGB CC(=O)N(/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)C(C)=O 4348879 UNGWSRDLOLQJGX-ZMESVYRVSA-N 322.364 3.310 50 40 DGGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccco1 5322081 AFCSQKKZVMHXMQ-KRWDZBQOSA-N 309.369 3.344 50 40 DGGB O=C(c1ccc(F)cc1)[C@@H](Br)CBr 238625370 CRJSAAVSFVZXAD-QMMMGPOBSA-N 309.960 3.167 50 40 DGGB COc1ccc(N[C@@H](C)C(=O)N/N=C(\C)c2ccccc2)cc1 233996 HEAZJCMOIWSLNC-ZXOFLVKFSA-N 311.385 3.036 50 40 DGGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1cc(C)ccc1OC 4416108 RRGANRHZNJLUDG-CPNJWEJPSA-N 319.405 3.015 50 40 DGGB CO[C@H](C(=O)N/N=C/c1ccccc1Cl)c1ccccc1 5356300 ZVOUFQICQITYLP-LZNAANCOSA-N 302.761 3.178 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C)c1O 6202672 LFFMHVAOGGVRLV-GIJQJNRQSA-N 302.761 3.426 50 40 DGGB Cc1ccc(I)cc1CBr 75629618 UVFIMIJFZPQJEO-UHFFFAOYSA-N 310.960 3.495 50 40 DGGB O=C(NNc1ncnc2ccccc12)C1C2CC3CC(C2)CC1C3 95946446 UVTFLWQEMQRFMS-UHFFFAOYSA-N 322.412 3.145 50 40 DGGB Cc1cc(C(=O)NNC2=CC(=O)CC(C)(C)C2)ccc1Cl 409173012 KJYDSESYEJSVEH-UHFFFAOYSA-N 306.793 3.156 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 5381627 ZWJSQPFRFDKOFR-QZZQKYANSA-N 322.364 3.059 50 40 DGGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 7156248 XDTZBVGXEXYFAD-NTCAYCPXSA-N 320.323 3.383 50 40 DGGB O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 12375285 APNMOOQPFHLKOS-KYEGVASXSA-N 301.327 3.085 50 40 DGGB COc1ccc(C(=O)N/N=C2\CCCc3ccccc32)cc1OC 13146535 ZUVQTPODTWFEHZ-CAPFRKAQSA-N 324.380 3.174 50 40 DGGB O=C(CN1CCOCC1)NN=C1CCCCCCCCCCC1 19797818 AVQNYZOAJFCACR-UHFFFAOYSA-N 323.481 3.096 50 40 DGGB COc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C(=O)Cl 45957590 LCYAFWMDECGWEL-VIFPVBQESA-N 312.753 3.361 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100355922 QHCWNDHTNWAHPQ-SVCVGABHSA-N 300.402 3.166 50 40 DGGB C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 3887338 RDXXPDAIYCTAAT-SECBINFHSA-N 313.740 3.028 50 40 DGGB CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3097490 OTJONCNSYBTIFV-VCHYOVAHSA-N 302.761 3.389 50 40 DGGB O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1ccco1 3153542 MSZNVESVPHUFOT-LFHQWRRHSA-N 304.733 3.175 50 40 DGGB CCOc1ccccc1[C@@H]1CC(=O)NC(SCC)=C1C#N 189622 MHYAIHGXMYWNMH-LBPRGKRZSA-N 302.399 3.177 50 40 DGGB CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 8916531 DPNDMYMIIDHEFI-SFHVURJKSA-N 322.364 3.399 50 40 DGGB BrC(Br)c1cnc2ccccc2n1 1556703 PXBIZFAXYSJINW-UHFFFAOYSA-N 301.969 3.418 50 40 DGGB C[C@H]1CC=CC[C@@H]1[C@@H]1OC[C@H](COC(CCl)CCl)O1 6183655 LFSDIKGFYKMUGR-DOERSZECSA-N 309.233 3.193 50 40 DGGB Cc1csc(/C(C#N)=C/NC2CC(C)(C)NC(C)(C)C2)n1 102882080 KEBQHYKTWVGJKZ-FMIVXFBMSA-N 304.463 3.215 50 40 DGGB Cc1cccc(NNC(=O)c2ccc(N3CCCCC3=O)cc2)c1 65512581 YVUIGRDIPMJMAJ-UHFFFAOYSA-N 323.396 3.269 50 40 DGGB CCOc1ccc(Br)cc1/C=C(\C#N)C(N)=S 408543375 OLFURVZGUCCQTL-WEVVVXLNSA-N 311.204 3.041 50 40 DGGB COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCC(=O)O 409045632 ZWYYSEFKJHHDQK-OQLLNIDSSA-N 309.321 3.223 50 40 DGGB CC(C)[Si](C(C)C)(C(C)C)n1cc(B(O)O)c2ccccc21 195756916 UWIXBYHAFCWSKZ-UHFFFAOYSA-N 317.314 3.345 50 40 DGGB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCCCl 4524875 SLILHXDZWCDHAD-GOEBONIOSA-N 306.837 3.148 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(Cl)c2)cc1 478806 DKJFVSDKBVRABM-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2C)c1 528836 FYMOXNXMFSGRCD-NTEUORMPSA-N 308.337 3.255 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1 500976 IMMGIADQLYFVLO-SDNWHVSQSA-N 308.337 3.249 50 40 DGGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C/C=C1/OC=CN1C 2583823 OUIJMYJVMYRODU-QCEXJNJJSA-N 304.390 3.471 50 40 DGGB CC(C)(C)OC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 5481444 CYVVTCGDFVIPSS-UHFFFAOYSA-N 319.283 3.267 50 40 DGGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 5928023 GRHPOMVAZLWWEZ-QGOAFFKASA-N 311.341 3.366 50 40 DGGB C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1 7208481 XXJILVMPYXQLGF-YRNVUSSQSA-N 322.158 3.094 50 40 DGGB CC(C)(C)OC(=O)C[C@H]1C[C@@H](CBr)OC(C)(C)O1 22001523 JWMNVOWFLZUAPU-ZJUUUORDSA-N 323.227 3.023 50 40 DGGB Cc1cnc(C(=O)NN(Cc2ccccc2)c2ccccc2)cn1 32256973 HRKSHJXUKZWNSQ-UHFFFAOYSA-N 318.380 3.137 50 40 DGGB O=C(NN=C1CCCCCCC1)C(=O)Nc1cccc(Cl)c1 59515747 YBIVHVRAEVNBQU-UHFFFAOYSA-N 321.808 3.495 50 40 DGGB O=C(CCc1ccccc1)N/N=C/c1ccc(O)c2ncccc12 33423 UWZHMPZOPZIOBH-FYJGNVAPSA-N 319.364 3.023 50 40 DGGB C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 112564 VSPXKWKZGVYMEC-YVLHZVERSA-N 317.732 3.402 50 40 DGGB CCC(=O)Nc1ccc(C(=O)N/N=C2\CCC[C@@H](C)C2)cc1 588246 YVZNRZORAIBJCC-WGBIJJAVSA-N 301.390 3.331 50 40 DGGB O=C(N/N=C\C=C\c1ccccc1)[C@@H]1OCCc2ccccc21 26503687 ULEKZMGTJRYCEF-KNCDZEKVSA-N 306.365 3.116 50 40 DGGB CCN1c2cc(C)c(/C=N/NC(N)=O)cc2[C@@H](C)CC1(C)C 223572709 IQZGMQVFCBPPGX-NJDFMEINSA-N 302.422 3.109 50 40 DGGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccsc2)c1 408995008 KNLBGQWGCAHAHC-MFOYZWKCSA-N 302.399 3.148 50 40 DGGB CCCC[C@H](C(=O)NN)N1c2ccc(F)cc2C(C)=CC1(C)C 223228565 IJHKICUKWDWUKI-MRXNPFEDSA-N 319.424 3.376 50 40 DGGB O=C(CBr)c1ccc(C(F)(F)F)nc1Cl 199751696 PHTBOWIDTFPPSW-UHFFFAOYSA-N 302.477 3.331 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccccc1 260809 VJRGICCETPBLJB-FYJGNVAPSA-N 318.380 3.253 50 40 DGGB O=C(CS[C@H]1CCc2ccccc21)N/N=C/c1ccco1 1574216 SVDDYYFSXGNVMR-ADFUCPMPSA-N 300.383 3.150 50 40 DGGB CCCCC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4953534 WTTKMVDPRFQLFI-GZTJUZNOSA-N 315.329 3.495 50 40 DGGB COc1cc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1O 13952848 NIXVYTRRBBGZJX-AHQHQLSQSA-N 324.380 3.045 50 40 DGGB CC(C)(C)OC(=O)NNC(=O)c1cc2c(s1)CCCCC2 17398645 NTDPSOPNIOCHKJ-UHFFFAOYSA-N 310.419 3.187 50 40 DGGB N#C/C(=C\c1ccc(F)cc1F)c1nnc2n1CCCCC2 7158900 ZQDGZRWEGUJEJB-XYOKQWHBSA-N 300.312 3.347 50 40 DGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 7894131 TULLUCYFXVHOHT-CAOOACKPSA-N 321.695 3.151 50 40 DGGB N#CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 8063018 APFVEHORUOSCOP-YBFXNURJSA-N 313.744 3.006 50 40 DGGB CC(C)c1ccc(/C=C(/C#N)C(=O)NCc2cccnc2)cc1 16790523 LCDOHYBDFVFXQF-ZDLGFXPLSA-N 305.381 3.428 50 40 DGGB Cc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1C 59515731 LLGYKNJSJYBSFI-UHFFFAOYSA-N 315.417 3.458 50 40 DGGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccnc2)cc1 96179323 UUDCJUAPZHLWTA-YBEGLDIGSA-N 308.337 3.131 50 40 DGGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C)[C@H]2Br 100097816 GAYCFDDDUIMMOM-WHFVKQHSSA-N 310.029 3.293 50 40 DGGB O=C(N/N=C/c1cccs1)c1cc2cc([N+](=O)[O-])ccc2o1 408962223 RBDLFZNBTFRTPK-OVCLIPMQSA-N 315.310 3.166 50 40 DGGB COCc1c(C(=O)NN(C)c2ccccc2)oc2ccccc12 7243017 BBDFSMQDBBGALJ-UHFFFAOYSA-N 310.353 3.360 50 40 DGGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(O)cc1 366277 ZFJWCRNCGGHRKC-RGVLZGJSSA-N 319.364 3.321 50 40 DGGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1 3577076 NKJIEONQHXFFIP-UFFVCSGVSA-N 321.302 3.268 50 40 DGGB CC[N+](CC)(CC)C[C@H](Br)CBr 3172207 ZGQJKROTWVHLFW-SECBINFHSA-N 302.074 3.021 50 40 DGGB NNC(=O)c1ccc(COc2c(Cl)cccc2Cl)cc1 2568623 QJMUPEHPNRRGFZ-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccc(F)cc1 408843324 FKFCCSBYWTWSFF-MOSHPQCFSA-N 311.360 3.190 50 40 DGGB CC1CCN(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)CC1 5031079 ROGBGEFEYDUBCT-ACCUITESSA-N 303.793 3.418 50 40 DGGB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN(C(=O)CCl)C1 79415027 YBMUYMRLLHVPRB-QGZVFWFLSA-N 322.880 3.374 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223221464 YKFIUKZQRJQPMP-ZFWWWQNUSA-N 303.450 3.246 50 40 DGGB C[C@@]12CC3CC(N4C[C@H](C(=O)Cl)CC4=O)(C1)C[C@](C)(C3)C2 45957842 UNORUJNFWLFQQA-MUNBAKSISA-N 309.837 3.349 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1 5751671 JSMVDZGAYJXOFM-VBKFSLOCSA-N 317.348 3.443 50 40 DGGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc2c1OCO2 8206926 JOPYWJDHRRNNTK-NSIKDUERSA-N 323.304 3.186 50 40 DGGB C/C(=N\NC(=O)[C@H]1[C@@H]2CCCC[C@@]21C)c1cccc([N+](=O)[O-])c1 4526136 LQXXVXKKVXXJSS-OOKVUZHISA-N 315.373 3.261 50 40 DGGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1 5277254 CEYDCUYDUFSTGD-CPNJWEJPSA-N 300.333 3.053 50 40 DGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1 7164928 KWLPHSBITFRBAA-GXDHUFHOSA-N 324.336 3.310 50 40 DGGB Cc1cc(C(=O)N/N=C/c2cccc(F)c2)c2ccccc2n1 36289493 ASSCNQGQOUHHMS-RGVLZGJSSA-N 307.328 3.446 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2ccccc2)c2ccccc2n1 98087198 VFCUCERQCRKYKO-UDWIEESQSA-N 319.364 3.072 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2ccco2)cc(C)c1Cl 345338 CSCFHBLTNFRYLC-CAOOACKPSA-N 306.749 3.079 50 40 DGGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccncc1 5322084 GYBYXUKMJZWDRW-SFHVURJKSA-N 320.396 3.146 50 40 DGGB O=C1OC(=O)c2ccccc2/C1=C\Nc1c(F)cccc1F 103271390 TYQRRDFEUJEQIM-DHZHZOJOSA-N 301.248 3.115 50 40 DGGB C[C@H](Br)C(Br)[C@H](C)Br 103632569 RPIBEEJRQGZXAZ-IMJSIDKUSA-N 308.839 3.317 50 40 DGGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(N)=O)cc2)c1 408892078 ATBXWBDOVZNQLU-LICLKQGHSA-N 306.365 3.275 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C/c2cccnc2Cl)c1 96315908 XYENGSIMZJSUOG-XYOKQWHBSA-N 313.744 3.289 50 40 DGGB CCCC[C@H](CC)CNC(=O)NNC(=O)c1cc(C)oc1C 26178894 ZPGOLGPPIMSTPZ-ZDUSSCGKSA-N 309.410 3.057 50 40 DGGB COc1ccc(C(=O)NN)cc1COc1ccccc1C(C)C 224225242 IIDWFDJSWKGHFJ-UHFFFAOYSA-N 314.385 3.001 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2C)cc1 255319085 QGBCGYIGYMABIT-BOPFTXTBSA-N 306.365 3.227 50 40 DGGB O=C(CBr)c1c([N+](=O)[O-])cccc1C(F)(F)F 169801770 UCWIAPPXEDRQJB-UHFFFAOYSA-N 312.041 3.191 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\C=C\c2ccccc2)cc1 16216756 YNWQZOJNMIKJMP-WCTLISOUSA-N 318.376 3.475 50 40 DGGB COc1ccc(Cl)cc1/C=C\C=N/NC(=O)c1ccncc1 16920248 NNSHUPWAPSXPJX-YRORQYDFSA-N 315.760 3.173 50 40 DGGB Cc1occc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 525017 XGEFYEUPHXOYNY-UHFFFAOYSA-N 320.348 3.330 50 40 DGGB O=N[C@@H]1[C@H](Br)[C@H]2C[C@@H]1[C@H]1[C@@H](Cl)[C@@H](Cl)C[C@@H]21 4726386 XTPIJABDTQDDCM-XONCRIOHSA-N 313.022 3.386 50 40 DGGB COc1ccc(OCC(=O)N/N=C/C(C)=C/c2ccccc2)cc1 8182499 LXWRSRFEAKEOBK-HIBZGYDWSA-N 324.380 3.280 50 40 DGGB Cn1c(/C(C#N)=C\c2ccc3c(c2)OCO3)nc2ccccc21 35684752 XCGGQTPVJZYSRD-JYRVWZFOSA-N 303.321 3.366 50 40 DGGB O=C(CCl)CC1CCN(C(=O)OCc2ccccc2)CC1 199813702 PIYZXTCOINHGMF-UHFFFAOYSA-N 309.793 3.233 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cccs1 408960450 LWGWJYPRRUZDOX-PDGQHHTCSA-N 313.426 3.421 50 40 DGGB C[N+](C)(C[C@@H](Br)CBr)c1ccccc1 28140 XOICMUILGTZKGB-JTQLQIEISA-N 322.064 3.412 50 40 DGGB CCc1sc(C(=O)NNC(=O)c2sccc2C)cc1C 12675060 VRZQCRSQJJUQAX-UHFFFAOYSA-N 308.428 3.064 50 40 DGGB CC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccc1O 15938728 BMRLRSZAYPYXEJ-KNTRCKAVSA-N 311.385 3.002 50 40 DGGB C#CCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1C 20194921 PPOIUAONCYKZTG-KGENOOAVSA-N 320.392 3.008 50 40 DGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 33301891 UEODAGMPPMCDNO-SXGWCWSVSA-N 318.720 3.404 50 40 DGGB O=C(NCC(F)(F)F)NN=C1c2ccccc2-c2ccccc21 54889815 QEHPLDKFZNZAPC-UHFFFAOYSA-N 319.286 3.281 50 40 DGGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(-c2ccccc2)cc1 96518920 VWBXZWSQPICEMC-CVEARBPZSA-N 324.829 3.387 50 40 DGGB COc1ccc2cc(/C(C)=N/NC(=O)c3cccnc3)ccc2c1 5163196 OZVSUXUJQZAEGK-FYJGNVAPSA-N 319.364 3.397 50 40 DGGB CCOP(=O)(OCC)[C@H](Br)CSC(C)=O 5462806 DPVMHDKBDSLHSL-QMMMGPOBSA-N 319.157 3.253 50 40 DGGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 12492844 BDRVLKRRQRPANV-LICLKQGHSA-N 317.732 3.402 50 40 DGGB O=C(N/N=C1\CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 100035036 MLEGORDDOBPMNL-FBMGVBCBSA-N 309.325 3.065 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1 408793108 DBMRRQPYENFHTG-CSKARUKUSA-N 302.717 3.487 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2ccccc2C)ccc1Cl 566291 PINRKFGQZFETET-VXLYETTFSA-N 316.788 3.486 50 40 DGGB O=C(OC[C@@H](CCl)OC(=O)c1ccccc1)c1ccccc1 2317104 LCRYAZWAUUWLNL-OAHLLOKOSA-N 318.756 3.308 50 40 DGGB C[C@@H](Br)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4276960 DBZMOLFRJVMPNZ-ZCFIWIBFSA-N 321.558 3.360 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccs2)c1C 12844012 ZUMBOQFJSUSQGJ-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 44790596 WJZYVSLLOSZEAC-LCCHZGNUSA-N 315.373 3.066 50 40 DGGB C[C@]1(CBr)[C@H]2CC(=O)[C@@]1(C)[C@@H](Br)C2 100015376 SPFMPLHTTYXRFI-GOZTYBTRSA-N 310.029 3.150 50 40 DGGB CNC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C 208234844 YQJJPILHKJPSEJ-ATDKOCKZSA-N 311.429 3.370 50 40 DGGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(N)=O 408869428 PHKXXMISGSJSOJ-RIYZIHGNSA-N 312.756 3.311 50 40 DGGB O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)C(Cl)Cl 1665682 JLWGYRMOTWHVRD-KGLIPLIRSA-N 324.207 3.381 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2sccc2C)cc1[N+](=O)[O-] 5942701 BVPVGOCYUZFIQA-OVCLIPMQSA-N 303.343 3.037 50 40 DGGB CC1(CC(=O)N/N=C\c2cccc(Cl)c2)SCCS1 32116892 AIKJUDSMQVSGIG-DHDCSXOGSA-N 314.863 3.376 50 40 DGGB O=C(Cc1ccc(F)cc1)N/N=C\c1c(F)cccc1Cl 36223934 JIFXSQLTHQIKSH-OCKHKDLRSA-N 308.715 3.311 50 40 DGGB O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)C(Cl)Cl 1665679 JLWGYRMOTWHVRD-UONOGXRCSA-N 324.207 3.381 50 40 DGGB Nc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1 5011970 FZYCXHQUJHPLRU-LSCVHKIXSA-N 308.168 3.340 50 40 DGGB CCCSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1 8996084 UOSRQYDOCFSYBJ-GFCCVEGCSA-N 302.399 3.177 50 40 DGGB CCCSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 9111015 FDXCSUMSRBZRJW-GFCCVEGCSA-N 317.370 3.077 50 40 DGGB CC(C)=NNC(=O)COc1ccc(OCc2ccccc2)cc1 13011623 JDPBPLWISJKVQJ-UHFFFAOYSA-N 312.369 3.156 50 40 DGGB COc1cc(C)c(/C=N/NC(=O)c2ccncc2)cc1C(C)C 59148468 XWDNCNHPYBXIMY-RGVLZGJSSA-N 311.385 3.286 50 40 DGGB CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OCC)c1 82076795 GHHFFCHJJUZVPR-WDZFZDKYSA-N 309.749 3.217 50 40 DGGB CCOC(=O)C1(CCCl)CCN(C(=O)OC(C)(C)C)CC1 116182765 KIBNEMIIQVFXBM-UHFFFAOYSA-N 319.829 3.196 50 40 DGGB Cc1ccc(C)c(NC(=O)CCC(=O)NN=C2CCCC2)c1 357551 DDSXENIVLHHAKF-UHFFFAOYSA-N 301.390 3.068 50 40 DGGB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(N)=O)c2c1 408777330 YPRRDBFPVYTOLT-UKTHLTGXSA-N 317.348 3.236 50 40 DGGB CCOC(=O)c1ccc(NC(=O)[C@](C)(CCl)SC)cc1 2275520 NGUOCNQUKOZROQ-AWEZNQCLSA-N 315.822 3.162 50 40 DGGB Cc1ccc(/C=N/NC(=O)N/N=C/c2ccc(C)s2)s1 23402564 MIGWNHSGOXVTEO-IROCBMIISA-N 306.416 3.094 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc(F)c1 409015645 OVCXNPJFFASZFB-UDWIEESQSA-N 323.327 3.086 50 40 DGGB O=[P@]1(N(CCCl)CCCl)OCCN1c1ccccc1 2028606 KKNHWSKPLUHNQL-LJQANCHMSA-N 323.160 3.411 50 40 DGGB O=S(=O)(NCCCl)c1cccc2cccc(Cl)c12 5770127 HFEQWYDIROVNMW-UHFFFAOYSA-N 304.198 3.010 50 40 DGGB CCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1 55071996 ZUBWSTBDSOTOEB-UHFFFAOYSA-N 301.434 3.335 50 40 DGGB NNC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 226333450 HEMPYCHAUWCWRK-FNORWQNLSA-N 320.751 3.061 50 40 DGGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(N)=O 408867938 LRBCJROPUFOSSM-VGOFMYFVSA-N 314.747 3.462 50 40 DGGB COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1 409236489 SFIKEVHWZFQTLF-AQTBWJFISA-N 320.392 3.351 50 40 DGGB CC(C)CC(=O)NNC(=O)c1ccccc1Nc1ccccc1 10160329 SJRDYRLIAVBTGL-UHFFFAOYSA-N 311.385 3.237 50 40 DGGB CCc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 93873 LYTKBKKQPXWFQR-OOWUWCJESA-N 310.397 3.475 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 2632093 GPULDWFLYUTLJP-UKTHLTGXSA-N 310.284 3.070 50 40 DGGB COP(=S)(OC)Oc1nc(C)c(Cl)c(C)c1C#N 162948 KYUYKOKNHPIAHD-UHFFFAOYSA-N 306.711 3.120 50 40 DGGB O=C(N/N=C/c1ccccc1)c1ccc(Br)cc1 253380 OVJWYVZPYHJNPA-MHWRWJLKSA-N 303.159 3.213 50 40 DGGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 486681 NZTSNYQIQNWQFZ-CAOOACKPSA-N 321.695 3.151 50 40 DGGB COCCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 2678370 MWCSXDZHPHNQGX-YRNVUSSQSA-N 313.184 3.053 50 40 DGGB CC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 5295148 AMUHSTWEXAUKFR-FBMGVBCBSA-N 311.341 3.068 50 40 DGGB O=C(/C=C/c1ccco1)N/N=C(\c1ccccc1)c1ccncc1 5584407 SBTXSRQEHXONAG-GOIARPPYSA-N 317.348 3.257 50 40 DGGB N#CC1=C(N)Oc2c(ccc3c(N)cccc23)[C@H]1c1cccnc1 63111234 XFGNBOZWIXZCDY-QGZVFWFLSA-N 314.348 3.035 50 40 DGGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1 408765747 NPOOKNDJSNPRRL-UVTDQMKNSA-N 306.321 3.140 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)CSc2ccccc2)cc1 408774701 MWTTUZYSVLSVRQ-QGOAFFKASA-N 314.410 3.328 50 40 DGGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1O 59710 MCFWFCDGMRKYES-RQZCQDPDSA-N 320.801 3.288 50 40 DGGB N#CC(C#N)=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 1320736 HEELMMXCOMPYEK-UHFFFAOYSA-N 303.296 3.173 50 40 DGGB O=N[C@@H]1[C@H](Br)[C@H]2C[C@@H]1[C@@H]1[C@@H]2C[C@H](Cl)[C@@H]1Cl 4726387 XTPIJABDTQDDCM-ALDCGWSVSA-N 313.022 3.386 50 40 DGGB O=C(N/N=C/c1cccs1)c1ccccc1Br 5514696 DSKFNCGKPMLMIT-RIYZIHGNSA-N 309.188 3.275 50 40 DGGB O=C(CBr)c1cc(F)cc(Br)c1F 258827985 DMWWGMHKLAIKTR-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(N(C)C)cc2)c1 409364734 OZZVVARMGLXXOP-MOSHPQCFSA-N 309.413 3.062 50 40 DGGB COCCOc1ccc(NC(=O)C2CC(Cl)C2)cc1Cl 585131951 KNDGZTFJGYGAEU-UHFFFAOYSA-N 318.200 3.321 50 40 DGGB NNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4201783 JDSXDKJIUAYWIR-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB CCOC(=O)N/N=C(\C)c1ccc(N2CCCCC2)c(F)c1 58632709 FSHUBHVGXIHOQN-LDADJPATSA-N 307.369 3.286 50 40 DGGB N#Cc1ccc(CNC(=O)CCCCCBr)cc1 91294504 PQFYIDGUCQZAQK-UHFFFAOYSA-N 309.207 3.130 50 40 DGGB in-vitro Cc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1[N+](=O)[O-] 100182299 WTGZNJVIGDBNMS-VLYGHPRLSA-N 315.373 3.180 50 40 DGGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccco3)c2c1 409012845 LMAFSWAFSCDTGY-ODLFYWEKSA-N 324.336 3.214 50 40 DGGB CO[C@@H](C(=O)N/N=C/c1ccc(C)c(C)c1C)c1ccccc1 313774 KEYAVGZOVYOGTI-BAOGCXAUSA-N 310.397 3.450 50 40 DGGB CCCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 2744548 RQTYEBALISOXLH-GXDHUFHOSA-N 302.374 3.004 50 40 DGGB CC1(C)[C@@H]2CC[C@]1(CBr)C(=O)[C@@H]2Br 100747116 XNGJUGUTYMLWIM-XSSZXYGBSA-N 310.029 3.150 50 40 DGGB O=C(CBr)c1c(F)ccc(F)c1Br 238638384 ZFEAQZICLPOXGM-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccs2)c(O)c1 408592561 ZJMIHKPCBJVMPM-CXUHLZMHSA-N 304.371 3.005 50 40 DGGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1O 3902665 ZDDQZHYZCTUTIU-KPKJPENVSA-N 321.336 3.350 50 40 DGGB N#CC(C#N)=C1[C@@H](Br)CCC[C@@H]1Br 6361457 ROJAOXRYNBBLKF-YUMQZZPRSA-N 303.985 3.041 50 40 DGGB CCOc1ccc(CC(=O)N/N=C(\C)c2cccs2)cc1 10475847 FQXODOFPDLUFIE-SFQUDFHCSA-N 302.399 3.230 50 40 DGGB O=C(Cc1ccccc1)N/N=C\c1ccc(Br)cc1 33285147 IZUFXRONUWTQDE-BOPFTXTBSA-N 317.186 3.142 50 40 DGGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)OC)cc1 3243886 YLBZBBQYXZHBQQ-CPNJWEJPSA-N 311.385 3.403 50 40 DGGB Cc1cc(SC#N)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 12809727 GOPJCJHODQYDCJ-STQMWFEESA-N 316.382 3.174 50 40 DGGB CCOc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 10475848 IIAHODRTPTVEFQ-FYJGNVAPSA-N 321.380 3.259 50 40 DGGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2)cc1 408953894 QLZFALHVLPKQEB-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 585139610 IXJQORVZLFBIAB-RULJAHQOSA-N 311.429 3.354 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 497961 YAXKFDQFKSNIKD-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB Cc1ccc(Cn2cc(/C=N/NC(N)=O)c3ccccc32)cc1 4562044 NNNUTIUBSRQYCD-KEBDBYFISA-N 306.369 3.000 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC)cc1 5917302 GCDIDHJUYUAPRR-KAMYIIQDSA-N 308.337 3.249 50 40 DGGB CCCCN(C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6172810 FBWJPJADVOCZBN-RAXLEYEMSA-N 308.328 3.453 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2ccc(C)cc2C(C)=CC1(C)C 223220354 UZBNCAYKPNHFAQ-INIZCTEOSA-N 301.434 3.156 50 40 DGGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)s2)cc1 357445 DIQGPBZLVWDGJV-LICLKQGHSA-N 315.398 3.169 50 40 DGGB Cc1cccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 486677 QXTBOZYTKGGNKB-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB N#CC(C#N)=C1C(=O)N(CCc2ccccc2)c2ccc(F)cc21 5478505 PMPOYLNKWKTKKG-UHFFFAOYSA-N 317.323 3.216 50 40 DGGB CCOc1cc(Br)c(C=C(C#N)C#N)cc1OC 5953387 QXKJIROGLZROBB-UHFFFAOYSA-N 307.147 3.287 50 40 DGGB Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)o1 8071487 SMHLROAEGQHREF-UHFFFAOYSA-N 314.385 3.269 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cn1 12362801 SZVLUXWLZFOFPS-WSVATBPTSA-N 324.167 3.166 50 40 DGGB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2[C@@H](C(=O)NN)C(C)C 223214143 XQQNAORGKSIODG-XJKSGUPXSA-N 303.450 3.102 50 40 DGGB C[C@H](Br)[C@@H](Br)[C@@H](C)Br 299754789 RPIBEEJRQGZXAZ-SCDXWVJYSA-N 308.839 3.317 50 40 DGGB CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1 408770717 BELSBXRGSIAKOF-NTEUORMPSA-N 324.336 3.076 50 40 DGGB N#Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 59222 GXZAWNZISGIIDW-HYARGMPZSA-N 313.360 3.404 50 40 DGGB O=C(CCl)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4072066 MUTBBANBNFUNTP-UHFFFAOYSA-N 311.838 3.183 50 40 DGGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(-c4ccccc4)nc32)o1 5067853 SZQRZRLGUDVNFT-AWEZNQCLSA-N 318.336 3.196 50 40 DGGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1 16137054 MRQMSCGPCMCBLF-SRZZPIQSSA-N 324.771 3.437 50 40 DGGB Nc1ccc(C(=O)N/N=C2/CCSc3ccc(F)cc32)cc1 34107856 DQFIREDYFPCOGS-RGEXLXHISA-N 315.373 3.038 50 40 DGGB CC1(CC(=O)N/N=C/c2ccc(Cl)cc2)SCCS1 38534942 QSNKEVAOBUDBAE-OQLLNIDSSA-N 314.863 3.376 50 40 DGGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 409061733 GXCHIYIAHBRDHR-KCEJKJBJSA-N 300.745 3.209 50 40 DGGB O=C(CSc1nc2ccccc2s1)NN=C1CCCC1 553791 PVTDJVABPMNBNA-UHFFFAOYSA-N 305.428 3.435 50 40 DGGB O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)OCCCl 12429191 IHGHLYFGYBPTRC-UHFFFAOYSA-N 324.808 3.029 50 40 DGGB COc1ncccc1C(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 104577253 LRRVOHSQRBWQOO-VMKFTMJJSA-N 301.390 3.022 50 40 DGGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 54841880 OWMQVDTWAIDODN-XFFZJAGNSA-N 319.748 3.214 50 40 DGGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 13895340 UGBBHAHWMQNNJN-LICLKQGHSA-N 317.732 3.402 50 40 DGGB Cc1cc(C(=O)NNC(=O)N[C@@H](C)CCCC(C)C)c(C)o1 26181799 GHXVVQOORBLQEX-NSHDSACASA-N 309.410 3.055 50 40 DGGB CC(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 44005724 ZQUNQOWJKUNMPG-VQHVLOKHSA-N 320.801 3.249 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1Cl 5897111 QYXIYOXWFSQPBM-YBFXNURJSA-N 315.804 3.478 50 40 DGGB COc1ccc(/C(C#N)=C2\OC(=O)c3ccccc32)cc1OC 17021282 PONIGCCZBFXDMF-VKAVYKQESA-N 307.305 3.266 50 40 DGGB C/C=C1\C[N@+]2(CC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 254290146 IPBVRFAPNWZMGD-XOQLXEEDSA-O 321.444 3.392 50 40 DGGB biogenic,in-vitro C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccncc1 59473625 ZJRWTIWKRVSQOC-VDCVXVNISA-N 319.817 3.366 50 40 DGGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccco1 12785251 SAONBLFLQGOQSC-UHFFFAOYSA-N 318.398 3.075 50 40 DGGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1Cl 30822009 BPSAZKGCEZQYFD-NVMNQCDNSA-N 306.724 3.252 50 40 DGGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1 4544596 OOFLITCTOLPAJQ-ZROIWOOFSA-N 312.756 3.268 50 40 DGGB COc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1 96021832 SINKRKGQHMLAOZ-GDNBJRDFSA-N 321.332 3.256 50 40 DGGB C/C(=N/NC(=O)c1ccc(Br)s1)c1ccncc1 15934514 LEXOTFKKIMTANP-NVNXTCNLSA-N 324.203 3.060 50 40 DGGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C#N)cc1 582340 MYBAZNPLBZUXNI-LHHJGKSTSA-N 319.276 3.259 50 40 DGGB O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccccc1 429773 SXGYAZNWAGLBES-UHFFFAOYSA-N 305.309 3.331 50 40 DGGB O=C(NNC(=O)c1ccco1)c1ccc(C2CCCCC2)cc1 12741681 UIZVYXXGWUUTJS-UHFFFAOYSA-N 312.369 3.402 50 40 DGGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)O 7155557 YARMSLTXAIXAEE-NTUHNPAUSA-N 315.760 3.193 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1c[nH]c2ccccc12 408748763 HFGCKHGALPIFLG-RGVLZGJSSA-N 307.353 3.249 50 40 DGGB N#C/C(=C\c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 72427576 RYTZDLJNEKAEIN-MDWZMJQESA-N 305.305 3.303 50 40 DGGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 82631 QAWRWNYZUXEITP-CQSZACIVSA-N 322.412 3.488 50 40 DGGB COc1ccccc1C(=O)C(Cl)C(=O)c1ccccc1OC 100784195 LGKSTNVXEBFBSL-UHFFFAOYSA-N 318.756 3.377 50 40 DGGB N#CC(C#N)=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1320735 JMWKIRJNJLJCSK-UHFFFAOYSA-N 303.296 3.173 50 40 DGGB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Cl)c1 32501420 LHPGJADLZICZAE-UHFFFAOYSA-N 323.801 3.483 50 40 DGGB O=C(Cc1ccccc1)N/N=C\c1cccc(Br)c1 33303458 ZZRVAZBPUBFYPN-BOPFTXTBSA-N 317.186 3.142 50 40 DGGB O=C(CCl)N(C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 79404027 UWCDSFGSXNFNPG-KRWDZBQOSA-N 320.864 3.271 50 40 DGGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(O)cc1 5338221 JTJKQZNJMVPRSU-MRXNPFEDSA-N 315.332 3.159 50 40 DGGB C/C(CCc1ccco1)=N/NC(=O)CNc1cccc(Cl)c1 5620626 ONYYQAJFZVYZJX-UNOMPAQXSA-N 319.792 3.470 50 40 DGGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccsc1 20149796 GEELKHQNUBNCBV-CYBMUJFWSA-N 318.423 3.103 50 40 DGGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1 59333761 PTKYHSQQINCXAY-WJDWOHSUSA-N 323.396 3.098 50 40 DGGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccnc3)cc2c1 366210 QZXAQKBCLSVYCJ-RGVLZGJSSA-N 304.353 3.011 50 40 DGGB O=C(N/N=C\c1ccccc1F)c1ccccc1-n1cccc1 12959007 SRPFLKCQPLRPOZ-MOSHPQCFSA-N 307.328 3.380 50 40 DGGB CCOC(=O)N(NCc1ccc(F)cc1)c1cccc(N)c1 78571049 XVDPCFIXLGSFQX-UHFFFAOYSA-N 303.337 3.076 50 40 DGGB C/C=C/C=C/C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8705666 QNKPXYXNDKFQSR-MQQKCMAXSA-N 315.251 3.189 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101158583 WKQINNLAGRDHIH-AYMJKNLGSA-N 301.346 3.137 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccccc1O 408961077 QWUMVLGQFWZMRO-ZHZULCJRSA-N 323.396 3.146 50 40 DGGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OC 215877519 AFOSLZQFEASSIP-SDQBBNPISA-N 322.792 3.179 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1cccs1 4689503 CCICDPRDLMVYLF-LFIBNONCSA-N 303.387 3.095 50 40 DGGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 5409119 CGVPYAPSKAWYEI-CYBMUJFWSA-N 308.385 3.234 50 40 DGGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1F 6209402 KMGLBICYAYWLSS-UKTHLTGXSA-N 310.284 3.070 50 40 DGGB O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCC1 8345454 HRJHPHZVJKNJNP-UHFFFAOYSA-N 319.361 3.190 50 40 DGGB COc1cc(/C=C(\C#N)C(=O)C(C)C)cc(Br)c1O 44027245 VYDZFJBLVVVLHG-ONNFQVAWSA-N 324.174 3.295 50 40 DGGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1cccc(F)c1 3165610 IULHKTGJBGAITE-UHFFFAOYSA-N 322.295 3.484 50 40 DGGB COc1ccccc1/C(C)=N\NC(=O)Cn1ccc2ccccc21 4676162 ODJNZANWWXFVML-ZHZULCJRSA-N 321.380 3.190 50 40 DGGB CC(C)N1c2ccc(/C=N/NC(N)=O)cc2[C@H](C)CC1(C)C 260572474 VXMLDINVINXPQC-AINDZBIGSA-N 302.422 3.189 50 40 DGGB C=CCn1cc(/C=N/NC(=O)c2ccc(C)o2)c2ccccc21 583085 WBFYSSICVLERJC-YBFXNURJSA-N 307.353 3.493 50 40 DGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1O 1083919 CUMBMROLBJOWPC-MHWRWJLKSA-N 322.364 3.014 50 40 DGGB O=C(Cl)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 6328494 UTBMMUYEGNGZMI-UHFFFAOYSA-N 309.753 3.096 50 40 DGGB Cc1ccc(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 6685014 WTWNSTPJRNLUIA-VXLYETTFSA-N 316.788 3.486 50 40 DGGB CNc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1[N+](=O)[O-] 44028150 ZTYZDMNTKPUXFN-WUXMJOGZSA-N 313.338 3.488 50 40 DGGB Cc1c(C(=O)C(C#N)=C2Nc3ccccc3N2)cccc1[N+](=O)[O-] 2653485 OOZLKANLAKLZOJ-UHFFFAOYSA-N 320.308 3.359 50 40 DGGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)NC3CC3)c2c1 409195970 LRIXFKVFVFTQER-UKTHLTGXSA-N 322.364 3.043 50 40 DGGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)c1ccccc1 6045490 NKPZVJOCIPPANX-XNTDXEJSSA-N 301.349 3.191 50 40 DGGB O=C(N/N=C\c1ccc(O)cc1O)c1cccc2ccccc12 17428395 BLLAVUBZWAGPGG-ODLFYWEKSA-N 306.321 3.015 50 40 DGGB COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 19774665 IJLNZTURFLPZHK-GOSISDBHSA-N 324.380 3.195 50 40 DGGB COc1ccc(C(=O)N/N=C/c2ccc(Cl)s2)cc1OC 2790750 ILUWFUMXXJDGLT-LZYBPNLTSA-N 324.789 3.183 50 40 DGGB COc1cccc(NC(=O)[C@@H](Cl)C(=O)c2ccccc2)c1 4207272 LJBNLRSPLBPLQG-AWEZNQCLSA-N 303.745 3.124 50 40 DGGB Cn1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc21 408873622 TZYRFICDCMLHLR-DWKWTICRSA-N 309.413 3.455 50 40 DGGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C)o2)cc1OC 408586031 AQJUJCOKHIWNQL-CAOOACKPSA-N 322.748 3.023 50 40 DGGB Cn1c(SCCCCl)nnc1-c1ccc(F)cc1F 228926504 PZERLPPMNGYYSV-UHFFFAOYSA-N 303.765 3.481 50 40 DGGB CCO[Si](Cc1cc(F)c(F)c(F)c1)(OCC)OCC 221630858 ULKPJTOYBSJPPW-UHFFFAOYSA-N 308.372 3.234 50 40 DGGB Cc1cc2c(cc1C)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260622348 SXTGUDHBZCKVPI-RHSMWYFYSA-N 317.477 3.410 50 40 DGGB COC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OC)c1 342761 SLVCCAZQSSSFAH-YBEGLDIGSA-N 323.348 3.354 50 40 DGGB CC[C@H](Nc1ccc(C)cc1C)C(=O)N/N=C/c1cccc(C)n1 370284 LTHLNXMCXUAVBU-RONKMWSCSA-N 324.428 3.348 50 40 DGGB Cc1cc(NNC(=O)c2ccccc2)nc(Cc2ccccc2)n1 2295858 GJNJDSLJXLKDCG-UHFFFAOYSA-N 318.380 3.133 50 40 DGGB O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1ccccc1Br 100053943 ULIQFSGKYRMOLZ-UJGKCGOISA-N 307.191 3.355 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1[N+](=O)[O-] 5942719 JXGGTUQBOMRYFB-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(O)cc1 9265467 PHJXDQFASRSELO-DEDYPNTBSA-N 323.396 3.065 50 40 DGGB CC(C)N(Cc1ccc(Br)cc1)C(=O)CCl 32199425 JDEWTGOKTLNARE-UHFFFAOYSA-N 304.615 3.425 50 40 DGGB Cc1cc2nc(CN(CCCl)CCCl)[nH]c2cc1C 50704611 GNMZAYZRXWNGOJ-UHFFFAOYSA-N 300.233 3.459 50 40 DGGB COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408970243 DHLXYNBKJWGYQC-GXDHUFHOSA-N 324.311 3.158 50 40 DGGB O=C(N/N=C/c1ccccn1)c1cc(C2CC2)nc2ccccc12 184621 YFIMWCPHGKKRFN-CIAFOILYSA-N 316.364 3.271 50 40 DGGB CC1CCN(c2ccccc2N2C[C@H](C(=O)Cl)CC2=O)CC1 57328207 PDDTUJAPPMZOCF-CYBMUJFWSA-N 320.820 3.041 50 40 DGGB Cc1nc2ccccn2c1C(=O)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 103313431 CFNGXQHOMFYIMU-ZHLFYBBGSA-N 322.412 3.351 50 40 DGGB CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCCC1=O 3270893 OWNJTNDBCTYHKG-HNNXBMFYSA-N 314.212 3.376 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cn1 4670357 XJYZRVNPNPOVON-RGVLZGJSSA-N 311.385 3.157 50 40 DGGB COCCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 5070156 KGJGXINEDRKKSN-DHZHZOJOSA-N 313.184 3.053 50 40 DGGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 5621108 GLJRVLCTWYBADK-OVCLIPMQSA-N 323.761 3.464 50 40 DGGB CCOC(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1 58403988 SMABCCRVXWNGPQ-XFFZJAGNSA-N 302.330 3.419 50 40 DGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1 107903139 VYPMNOXFJCTADC-LTGPJGNYSA-N 300.402 3.362 50 40 DGGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(C)c1O 12615153 GVHVSXUUUQHTBV-LICLKQGHSA-N 306.365 3.232 50 40 DGGB Cc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1N1CCCC1 408855171 CXMSEAVOSYXCQL-MOSHPQCFSA-N 323.396 3.065 50 40 DGGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1 409364892 WGUGCGYWDACQCG-XDHOZWIPSA-N 312.756 3.116 50 40 DGGB O=C(N/N=C/c1cccc(O)c1)c1ccc(Cl)c(Cl)c1 5749975 KNJFLRULJWDLJL-CAOOACKPSA-N 309.152 3.463 50 40 DGGB C[C@@H](Cl)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20132149 WXPGMLJPUUVAJC-SECBINFHSA-N 309.822 3.462 50 40 DGGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)COc1ccc(C#N)cc1 102417632 LPQQBKALBPADCE-DVJYIIGMSA-N 323.396 3.031 50 40 DGGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)C=C[C@@]2(c2ccccc2)C1 100494297 ZIRTUTAGQSEEAH-JYWFKMLOSA-N 316.356 3.152 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)c1 408793902 GOSKTYGGXCQECQ-GXDHUFHOSA-N 308.337 3.255 50 40 DGGB CCCCOc1ccc(C(=O)NNC(=O)c2cccs2)cc1 1952458 IKRVXZWLMLYQBE-UHFFFAOYSA-N 318.398 3.002 50 40 DGGB Cc1cc(C)cc(N/C=C(\C#N)C(=O)NCCc2ccccc2)c1 102599599 HGFBPVLUFUAWQR-NBVRZTHBSA-N 319.408 3.482 50 40 DGGB COc1cc(/C=C(\C#N)c2nc(C)cs2)cc2c1OCCO2 8207516 XHZHAPHSTNLNQU-LFYBBSHMSA-N 314.366 3.296 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCO2)c1nc2ccc(F)cc2[nH]1 408566036 DBPVLSWACFHDMK-WZUFQYTHSA-N 307.284 3.495 50 40 DGGB COc1ccc2c(c1)[C@@](C)(c1ccccc1)CC/C2=N\NC(N)=O 18062785 VIVJIWYZBZUTOD-OXMAITBSSA-N 323.396 3.167 50 40 DGGB CO[C@@H](C(=O)N/N=C/c1ccccc1Cl)c1ccccc1 5356559 ZVOUFQICQITYLP-CLXYIWAZSA-N 302.761 3.178 50 40 DGGB COc1cccc(C(=O)C(Cl)C(=O)c2cccc(OC)c2)c1 100802020 OTFWBAICUDBIPT-UHFFFAOYSA-N 318.756 3.377 50 40 DGGB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCl 2647831 XVJNUDNRQNJXHM-GFCCVEGCSA-N 310.825 3.108 50 40 DGGB CCCCCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 5792664 PEQWOAOAGKIDIR-UHFFFAOYSA-N 310.397 3.494 50 40 DGGB Cc1ccc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 8371654 VNZGSFNJEPHMKY-UFFVCSGVSA-N 321.424 3.078 50 40 DGGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C 59515759 JHHMZZQMQQNCQO-WQRHYEAKSA-N 309.797 3.269 50 40 DGGB N#C/C(=C\c1cccc(OC(F)(F)C(=O)O)c1)c1ccccn1 97315728 INZPQBPHBOVVQL-XYOKQWHBSA-N 316.263 3.202 50 40 DGGB COc1ccc(O)c(/C=N/NC(=O)c2cccc3ccccc23)c1 254069 KIUOYMOAYWINOB-UDWIEESQSA-N 320.348 3.318 50 40 DGGB O=C(CBr)NC1c2ccccc2Oc2ccccc21 1865388 BXHBHRHXRVMXAU-UHFFFAOYSA-N 318.170 3.393 50 40 DGGB Cc1nc(N/N=C/c2cccc([N+](=O)[O-])c2)sc1SC#N 4475432 XJXSFSPOFDABQZ-MKMNVTDBSA-N 319.371 3.379 50 40 DGGB N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2o1 5337148 OAHTVVNOLCXJKL-MDZDMXLPSA-N 322.280 3.418 50 40 DGGB Cc1cc(C(=O)NNC(=O)N[C@H](C)CCCC(C)C)c(C)o1 26181794 GHXVVQOORBLQEX-LLVKDONJSA-N 309.410 3.055 50 40 DGGB CC(C)O[C@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 63146122 VBCCRFGEAJEXLD-JONQDZQNSA-N 324.262 3.448 50 40 DGGB C=CCc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(OC)c1O 409200691 JUDTWDJSQMMACT-NDENLUEZSA-N 324.380 3.202 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 216316926 AQUQQGTUNFBYEI-CIAFOILYSA-N 319.364 3.072 50 40 DGGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccncc1 5322050 GYBYXUKMJZWDRW-GOSISDBHSA-N 320.396 3.146 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1 1083644 VAVSTHQAOACMHR-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB CCCCC(O)(CCCC)C(=O)N/N=C/c1ccc(OC)cc1 2301694 JQLSWDLMXMOUHL-XMHGGMMESA-N 320.433 3.257 50 40 DGGB O=C(N/N=C/C1=Cc2ccccc2OC1)[C@H]1C[C@@H]1c1ccccc1 5561234 PUFYOJDUKUZWEG-YAHSPCSVSA-N 318.376 3.368 50 40 DGGB CCN(CC)C(=O)Nc1ccc([C@@H](C)NC=C(C#N)C#N)cc1 55007282 OJIFIGXKTBFEIK-CYBMUJFWSA-N 311.389 3.142 50 40 DGGB N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@@H]1c1cccnc1 494350 WMTIHZAYFCKGMK-MRXNPFEDSA-N 315.332 3.159 50 40 DGGB Cc1cc(C)n(CCC(=O)N/N=C/c2cccc3ccccc23)n1 502447 FVCSEUIHABBYMQ-DEDYPNTBSA-N 320.396 3.194 50 40 DGGB COC(=O)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 16194131 CXQOGHRQGZANHI-GDNBJRDFSA-N 308.293 3.446 50 40 DGGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1 408568747 WPDXACQKIKZYSA-YHYXMXQVSA-N 324.271 3.380 50 40 DGGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)F)[C@@H]1CC[C@@H]2O 4921414 BAQFZOVIPZMHIB-JLZSVDHQSA-N 320.404 3.355 50 40 DGGB CCn1c(C)c(/C=N/NC(=O)c2ccccc2N)c2ccccc21 6946999 BBSBLYQTYWKSOM-CIAFOILYSA-N 320.396 3.316 50 40 DGGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)Cn1cnc2ccccc21 102404586 XJEUMGMDWPDCAG-BTKDNQOKSA-N 322.412 3.131 50 40 DGGB CC[C@H](C(=O)NN)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223201803 VTZGYDAWLCSNRM-CYBMUJFWSA-N 307.825 3.110 50 40 DGGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1cccc(Cl)c1 408905073 SRXDRQUGXYQKMV-ZSOIEALJSA-N 312.756 3.268 50 40 DGGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccn1 1803168 WQWHDHZORDLXPY-NTCAYCPXSA-N 305.337 3.192 50 40 DGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1O 409049447 WXHQHUFUIBOQMC-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(C)o1 408884876 VVHHLKHSQHUPSA-LZYBPNLTSA-N 321.174 3.423 50 40 DGGB O=C(Cl)c1cc(Cl)cc(I)c1O 228961991 NYWMALFHBDNVKZ-UHFFFAOYSA-N 316.909 3.029 50 40 DGGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(O)cc1 14003093 JLXMIOQKDMYGKY-WOJGMQOQSA-N 302.761 3.129 50 40 DGGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NCc1ccco1 12372338 DFAUUTSGBOBKEJ-LCYFTJDESA-N 305.337 3.293 50 40 DGGB COc1ccccc1/C=N/NC(=O)Cc1ccc(Cl)cc1 14003053 VYFLECHSGDTACF-WOJGMQOQSA-N 302.761 3.041 50 40 DGGB O=C(CCl)N(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 79404038 ACJZSRYZQPLIKF-MRXNPFEDSA-N 320.864 3.128 50 40 DGGB O=C1[C@@H](Br)CCN1c1ccc(Cl)cc1Cl 82606635 XJBYHOVONSVERO-ZETCQYMHSA-N 308.990 3.494 50 40 DGGB in-vitro CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2cc(C)c(C)cc21 223207651 MDMPZZRMURUCOB-UHFFFAOYSA-N 301.434 3.074 50 40 DGGB CCC[C@H](C(=O)NN)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260622101 RBEXLKORXYNMFL-CZUORRHYSA-N 303.450 3.246 50 40 DGGB Nc1ccccc1C(=O)N/N=C/c1ccccc1C(F)(F)F 409052137 GESSNBYVKPLCDQ-AWQFTUOYSA-N 307.275 3.052 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 66657 PBCZCUMDRXTOLZ-WOJGMQOQSA-N 311.341 3.482 50 40 DGGB O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 252846 NKNRZYCJVKZLAI-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB O=C(CCl)Nc1nc2c(Br)cc(F)cc2s1 20131785 PIWDCQFTSGLXNQ-UHFFFAOYSA-N 323.574 3.375 50 40 DGGB O=C(COc1cccc2ccccc12)N/N=C\c1ccsc1 33328172 SUMYXENYKCHTTO-ZDLGFXPLSA-N 310.378 3.430 50 40 DGGB C=CCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC 38164501 KNXGQVXHVWRTKM-UYRXBGFRSA-N 310.353 3.024 50 40 DGGB N#C/C(C(=O)Nc1ccccc1)=C1/C(=O)Nc2ccc(Cl)cc21 39556008 HSNRGSCSLHHBTO-SQFISAMPSA-N 323.739 3.208 50 40 DGGB COc1ccc(C(=O)N/N=C(/C)c2c[nH]c3ccccc23)cc1 72337897 ZXDRHMGCGAPRDA-NDENLUEZSA-N 307.353 3.331 50 40 DGGB CC#C[P@@](=O)(OC)[C@@](O)(CBr)c1ccccc1 547395 JHIVYXJFSCQGNP-YVEFUNNKSA-N 317.119 3.132 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 36476335 LLOXTGIRPVBAKX-JYRVWZFOSA-N 323.308 3.155 50 40 DGGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(C)[C@@H]2Br 100011767 GAYCFDDDUIMMOM-QUNWWBBNSA-N 310.029 3.293 50 40 DGGB CCN(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1 100178613 ZWUKEVFSFIVNSI-IYBDPMFKSA-N 308.853 3.175 50 40 DGGB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CCl 216858107 STDSRQRGPOITAO-UHFFFAOYSA-N 317.732 3.076 50 40 DGGB CCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl 1576980 PXDROCOEYXYTLB-WPRPVWTQSA-N 304.645 3.193 50 40 DGGB CCCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC 2768800 GSSDLQZAEBEXRU-GXDHUFHOSA-N 303.358 3.344 50 40 DGGB O=C(CC1CCCC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5578967 KAYWQHICKIULDT-UHFFFAOYSA-N 318.461 3.321 50 40 DGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccccc1 409098424 OUKXJMUZHNZYEA-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB CC(C)[C@@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1 72220094 HWBWLWYZALBWQW-SECBINFHSA-N 303.200 3.330 50 40 DGGB CC(=O)N(/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)C(C)=O 4348874 UNGWSRDLOLQJGX-WENBPLFZSA-N 322.364 3.310 50 40 DGGB Cc1ccc2[nH]c(C(=O)N/N=C/c3cccc(O)c3)c(C)c2c1 254553 VEEVRSRVOJJHPF-VXLYETTFSA-N 307.353 3.254 50 40 DGGB C/C(=N/NC(=O)COc1cccc(C)c1C)c1cccs1 14010363 NNQZGSMMANRKEY-LGMDPLHJSA-N 302.399 3.284 50 40 DGGB CC/C(C)=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1C 5414483 KFAFVBHHWKHWKH-WQRHYEAKSA-N 309.797 3.269 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Cl 98056051 JQMCZQLBICJDFG-KPKJPENVSA-N 316.744 3.165 50 40 DGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)cc2)cc1 408837278 BNRHTNFMRFRCHV-DEDYPNTBSA-N 309.369 3.107 50 40 DGGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)O 71793187 ROEUUUNILYMMMB-WDZFZDKYSA-N 319.723 3.024 50 40 DGGB CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2cc(C)c(C)cc21 260624810 UYXNWHXKBMEHLN-KRWDZBQOSA-N 315.461 3.320 50 40 DGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O 12411437 IFWXBDIMKQHJBB-UVTDQMKNSA-N 308.337 3.337 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1C 7386286 HGKLXCOORZLPMT-DEDYPNTBSA-N 324.428 3.006 50 40 DGGB C=CCNC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1 5480588 WQNMMQGWZTXVTR-LDADJPATSA-N 318.376 3.475 50 40 DGGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 82641 QAWRWNYZUXEITP-AWEZNQCLSA-N 322.412 3.488 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 71566 ZTLPXHNKYVHMAQ-RIYZIHGNSA-N 306.321 3.269 50 40 DGGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F 3475313 LNQNJKXMFQTSLV-CAOOACKPSA-N 321.695 3.151 50 40 DGGB C/C(=N\NC(=O)c1cncc(Br)c1)c1cccs1 4616906 OCYPOLFXYHMEEH-OVCLIPMQSA-N 324.203 3.060 50 40 DGGB N#CSc1ncc2c(n1)/C(=C/c1cccc([N+](=O)[O-])c1)CC2 5258299 UBOTUURACHZHIR-IZZDOVSWSA-N 310.338 3.445 50 40 DGGB Cc1ccc2cc(/C=N/NC(=O)c3ccncc3)c(Cl)nc2c1 5576415 CRUKAOMHHSZMLJ-KEBDBYFISA-N 324.771 3.356 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccncc1 6050491 QWZNPXXZKFNQEG-QMDUKARKSA-N 313.426 3.422 50 40 DGGB O=C(CCc1nc(CCl)no1)Nc1ccc(Cl)cc1 19816460 KUJSVWYLYYNQRB-UHFFFAOYSA-N 300.145 3.033 50 40 DGGB CCCCCC(/C=N\NC(=O)C[N+](C)(C)C)=C\c1ccccc1 31937803 JZTBNRMHHZUUBL-NAAIVWGJSA-O 316.469 3.459 50 40 DGGB CCCOc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1 33929392 WVZHMZUCFMVVOL-MOSHPQCFSA-N 314.360 3.307 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100064529 WJZYVSLLOSZEAC-LZBXCAORSA-N 315.373 3.066 50 40 DGGB Cc1ccc(I)c(C(=O)CCl)c1F 199753735 MEGSWAHNDIGOAT-UHFFFAOYSA-N 312.509 3.160 50 40 DGGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cccs1 4719789 GMGMYJIETWLNHE-MLVDXBBYSA-N 301.327 3.085 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1 100176997 FVRXWYSPGILYJJ-ZFRQOODKSA-N 300.402 3.362 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=C(\C#N)C(=O)N1CCCC1 409369162 GBBGGFVCSCORMP-GHRIWEEISA-N 309.413 3.125 50 40 DGGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(F)c2)cc1 96021853 MVNADJYBVVVYGU-YBEGLDIGSA-N 301.342 3.473 50 40 DGGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)cc1 408718834 NHHJIYCYBVQEMQ-VCHYOVAHSA-N 324.292 3.002 50 40 DGGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1 4964441 DBLIZLYIRDWQIN-CPNJWEJPSA-N 310.353 3.154 50 40 DGGB C[C@H]1Cc2cc(/C=N\NC(=O)c3ccc(Cl)cc3)ccc2O1 408710822 NCMDVIZXZGKPCW-ORPVNXHJSA-N 314.772 3.427 50 40 DGGB C=C[Si](C)(O[Si](C)(C=C)c1ccccc1)c1ccccc1 169747827 KPWVUBSQUODFPP-UHFFFAOYSA-N 310.545 3.418 50 40 DGGB CCOc1cccc2sc(NNC(=O)c3ccccc3)nc12 429759 HUJBHXBTLYXYRJ-UHFFFAOYSA-N 313.382 3.452 50 40 DGGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccc(O)c1 31111 MYZFYOYHNSDRBQ-CIAFOILYSA-N 319.364 3.108 50 40 DGGB CCc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 93881 LYTKBKKQPXWFQR-NPRIEWAGSA-N 310.397 3.475 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 255832 GJPFVKUCWVXSPW-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB Cc1cc(SC#N)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 12809731 GOPJCJHODQYDCJ-CHWSQXEVSA-N 316.382 3.174 50 40 DGGB O=C1[C@H](Br)CCN1c1cccc(OC(F)(F)F)c1 68591471 ZRFKSOGBVODLEW-SECBINFHSA-N 324.096 3.085 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)c2cccc3ccccc23)o1 408994922 HXWXLQMPWVYLPR-XDHOZWIPSA-N 307.353 3.263 50 40 DGGB COc1ccc([C@@H]2CC(=O)C(C#N)=C3Nc4ccccc4N32)cc1 3245132 DCYCTUYAMIUEDS-KRWDZBQOSA-N 317.348 3.376 50 40 DGGB NNC(=O)c1cc(Cl)ccc1OCc1ccccc1Cl 226319359 PQWSCSJURJJNDM-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB CN(C)c1cccc(-c2nnc(SCCCCl)n2C)c1 228975707 YMTRGSSKQXBZTH-UHFFFAOYSA-N 310.854 3.269 50 40 DGGB O=C(NN=C1CCCCCCC1)c1ccc2c(c1)OCCO2 17697076 GACZXHWBAZTAJA-UHFFFAOYSA-N 302.374 3.288 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC)c1 20787006 PJACVIAOCVNFCO-GXDHUFHOSA-N 308.337 3.249 50 40 DGGB CCn1c(C)c(/C=N/NC(=O)c2ccncc2)c2ccccc21 409369465 OJHSEKLUHATJLK-UDWIEESQSA-N 306.369 3.129 50 40 DGGB O=S(=O)(c1ccccc1)C1[C@@H]2CCC[C@H]1C2Br 13764566 LQMIJFBUGYDFGM-MPEURRAXSA-N 315.232 3.022 50 40 DGGB COC(=O)/C(C#N)=C1\C[C@@H](C)CC[C@H]1C(SC)=C(C#N)C#N 59662385 XCNYYZNYQTZDOL-PWIUWRDOSA-N 315.398 3.080 50 40 DGGB COc1ccc(C(=O)NN)cc1COc1cccc2ccccc12 224297565 KIRAAUNXRQPJMN-UHFFFAOYSA-N 322.364 3.031 50 40 DGGB Cc1cc(-c2ccc(/C=C/C(=O)NN)o2)ccc1Br 226256542 SGKDZPIERDCMBE-QPJJXVBHSA-N 321.174 3.021 50 40 DGGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 409075712 ZHZWPRQYPLHURY-IKVNRTJKSA-N 307.397 3.225 50 40 DGGB Cc1cc(NC(=O)CCCl)ccc1NC(=O)c1ccco1 4503081 LRTXXHMOJDWRFV-UHFFFAOYSA-N 306.749 3.408 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2ccccc2)C1(C#N)C#N 4728998 PLHRKJLUDYEQLW-PBHICJAKSA-N 300.365 3.280 50 40 DGGB CC(C)(C)c1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 5685936 DJBXYVHZAZGMNV-UHFFFAOYSA-N 321.380 3.070 50 40 DGGB CC(C)=C[C@H]1[C@@H](C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 5785857 MQNYUOGAJXCNIN-CXJPLEHTSA-N 315.373 3.283 50 40 DGGB O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)OC2=O 8445490 XKEGDZUAMUNTSN-UHFFFAOYSA-N 302.285 3.381 50 40 DGGB CSc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1C 12941373 LMOQUKNXMOEUAJ-UHFFFAOYSA-N 314.410 3.100 50 40 DGGB COc1cc(C(=O)N/N=C\c2cccc3ccccc23)ccc1O 31769003 DFVFXMJTCAPQTN-NDENLUEZSA-N 320.348 3.318 50 40 DGGB CC1(CC(=O)N/N=C/c2cccc(Cl)c2)SCCS1 38534940 AIKJUDSMQVSGIG-OQLLNIDSSA-N 314.863 3.376 50 40 DGGB CC(C)(C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 42011538 LQPVOAQXPCTPMD-UHFFFAOYSA-N 308.447 3.214 50 40 DGGB COc1cc2c(cc1/C=C(/C#N)c1ccc(C(=O)O)cc1)OCO2 408541676 HCGZODMCDGMBQA-NSIKDUERSA-N 323.304 3.186 50 40 DGGB C/C(=N\NC(=O)c1ccncc1)c1ccc(Br)s1 5282577 MCSUAUKOAVFGIE-OVCLIPMQSA-N 324.203 3.060 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccco2)c(C)n1-c1ccccc1 7244593 IYHAAXIKRWOTLS-XDHOZWIPSA-N 307.353 3.451 50 40 DGGB COc1cccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c1 44028916 GQXZRXDTGGYCOI-AUWJEWJLSA-N 307.305 3.214 50 40 DGGB COC(=O)c1cc(CBr)ccc1Br 77031783 LRHPDLMVLCHAEP-UHFFFAOYSA-N 307.969 3.131 50 40 DGGB Cc1cc(C(=O)N(NC(=O)C(C)C)c2ccccc2)cs1 241000 YUDZQYAZAWXVKP-UHFFFAOYSA-N 302.399 3.391 50 40 DGGB NN(Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3124789 LYWQDTYDHRQNPF-UHFFFAOYSA-N 322.348 3.291 50 40 DGGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc2c(c1)OCO2 4577656 OTWHLTLXOCUIGA-LDTXJDIMSA-N 308.337 3.234 50 40 DGGB O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1 13126923 IBBFFYQBJRPFRH-DEDYPNTBSA-N 319.364 3.023 50 40 DGGB O=C(N/N=C/C=C/c1ccccc1)c1nnc(-c2ccccc2)o1 63423499 BUYZBOIYIRPODF-CIOYMBLNSA-N 318.336 3.166 50 40 DGGB O=CC1=CC=C[C@@H]1c1nc(Cl)c(Br)c(Cl)n1 78582633 RGSBOPYWQSEDFU-LURJTMIESA-N 319.973 3.325 50 40 DGGB CCC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260625047 YKFIUKZQRJQPMP-UKRRQHHQSA-N 303.450 3.246 50 40 DGGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3ccccc3F)ccc21 615233 JVNWNXCBLKEJCZ-UKTHLTGXSA-N 307.328 3.080 50 40 DGGB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cl)c1ccccc1 5901535 OJNQJEDIWINDEN-HNNXBMFYSA-N 303.745 3.012 50 40 DGGB in-vitro C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cc(C)ccc1C 8103110 MEIRZLOMNMVAGJ-CPNJWEJPSA-N 310.353 3.186 50 40 DGGB CCOc1ccc(C(=O)N[C@@H](Cl)C(=O)c2ccccc2)cc1 53944047 SDVRZNIMSFUEQG-MRXNPFEDSA-N 317.772 3.263 50 40 DGGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O)cc1 100195341 YYBUWPWCJWFASO-AUWJEWJLSA-N 314.348 3.401 50 40 DGGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3ccc(Cl)cc3)ccc2O1 408710823 NCMDVIZXZGKPCW-XEQXHXIFSA-N 314.772 3.427 50 40 DGGB O=C(N/N=C/c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1 409195833 WFYQAIWGYLQPGF-CAOOACKPSA-N 309.152 3.463 50 40 DGGB C/C(=N/NC(=O)c1c(O)ccc2ccccc12)c1cccc(N)c1 349618 KFDUJFMTBNISTM-MTJSOVHGSA-N 319.364 3.282 50 40 DGGB N#C/C=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1 25264959 UGIYNIOWVOJVJC-NTUHNPAUSA-N 303.409 3.431 50 40 DGGB COc1ccc(-c2nnc(SCCCCl)n2C)cc1F 228975770 YGXPCTZTFTXWMJ-UHFFFAOYSA-N 315.801 3.351 50 40 DGGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(Cl)s1 8783605 RJIGNGBETLTLMT-ZDUSSCGKSA-N 303.774 3.202 50 40 DGGB O=C(Cl)C[C@@H](C(=O)Cl)c1ccc(Br)cc1 100687947 NGKYLSCZNMTJBS-MRVPVSSYSA-N 309.974 3.454 50 40 DGGB COc1ccc(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)cc1 40967761 UJSLWSZGRGKWCU-UHFFFAOYSA-N 304.305 3.345 50 40 DGGB CCC(/C=N/NC(=O)CCCC(=O)N/N=C/C(CC)CC)CC 5498107 MEMKKCBZXAGORC-KLCVKJMQSA-N 324.469 3.233 50 40 DGGB COC(=O)[C@H](Br)Cc1cc(Cl)ccc1Cl 107358 YUZHVGDICOAIDZ-MRVPVSSYSA-N 311.990 3.472 50 40 DGGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccccc1 44059781 ZEQXLMQWBALQNY-XDHOZWIPSA-N 312.369 3.134 50 40 DGGB COc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)CCO2 54802925 RUUCCAUUFCDPBG-PTNGSMBKSA-N 305.333 3.420 50 40 DGGB CCOC(=O)/C(C#N)=C/Nc1nc2ccccc2n1C(C)(C)C 95377608 ABRZIJMKUJKBAZ-VAWYXSNFSA-N 312.373 3.174 50 40 DGGB CNC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(F)(F)F)c1 408930856 CXPHSHUTENYQGV-FLIBITNWSA-N 319.286 3.149 50 40 DGGB CCSC1=C(C#N)[C@@H](c2ccccc2OC)[C@@H](C#N)C(O)=N1 189245 ANVIXFGZZSXJBN-RISCZKNCSA-N 313.382 3.377 50 40 DGGB COc1ccc(OCC(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1 8240519 TYABMQQCLHEKTB-ZDKYXOAUSA-N 318.417 3.392 50 40 DGGB COC(=O)/C(C#N)=C1\C[C@@H](C)CC[C@@H]1C(SC)=C(C#N)C#N 59662376 XCNYYZNYQTZDOL-JYOSQDBOSA-N 315.398 3.080 50 40 DGGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1 43596 FLMLVDNOIPQSOO-QGZVFWFLSA-N 308.381 3.427 50 40 DGGB N#C/C(=C\c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 148349 SZSPJQGEGCOQBW-RIYZIHGNSA-N 304.758 3.073 50 40 DGGB Fc1nc(F)c(F)c(O[C@@H](CCl)CBr)c1F 551712 CEPWPVUPVZPQFD-GSVOUGTGSA-N 322.483 3.019 50 40 DGGB O=[P@@](CCl)(OCCCl)N(CCCl)CCCl 1687439 AVEVMGSJZDLSID-HNNXBMFYSA-N 316.980 3.411 50 40 DGGB O=C(N/N=C/C=C/c1ccccc1)c1cc(Cl)ccc1O 2748177 INMJRMBKJZXMFI-UOMISXDJSA-N 300.745 3.475 50 40 DGGB Cn1c(/C(C#N)=C/c2ccc(C(=O)O)cc2)nc2ccccc21 4137306 CUURSKHDUICBSD-GXDHUFHOSA-N 303.321 3.336 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(N(C)C)cc1 5282513 KMWAHLOZZBVMDN-NYJBXQQLSA-N 321.424 3.397 50 40 DGGB BrCC=C(CBr)CBr 68562471 BBPZYZNVMKGQRL-UHFFFAOYSA-N 306.823 3.098 50 40 DGGB COc1ccc(/C(C#N)=C/c2ccccc2OCC(=O)O)cc1 408580586 CRRJTJIIPASXQI-XNTDXEJSSA-N 309.321 3.223 50 40 DGGB CC(C)COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 409205480 NQFDSKKUWLWSNJ-WOJGMQOQSA-N 316.426 3.476 50 40 DGGB N#C/C(=C\c1ccsc1)C(=O)NCCc1c[nH]c2ccccc12 348619 ZOUFPUUPQVCYCF-OQLLNIDSSA-N 321.405 3.495 50 40 DGGB CC[C@H](Nc1ccc(C)cc1C)C(=O)N/N=C/c1ccncc1 370272 YAKDEUKFQRYLBU-DORSJAEJSA-N 310.401 3.039 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C[C@H]2C=CC[C@@H]12 5925665 NYYJTAPCIPUCPP-YYDSBSOSSA-N 304.777 3.095 50 40 DGGB Cc1[nH]nc2c1[C@H](c1ccc(-c3ccccc3)o1)C(C#N)=C(N)O2 9110666 LRKQBNPFDGXOQD-INIZCTEOSA-N 318.336 3.196 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@H]2CCC=CCC[C@H]12 18069122 RMHIIYCWEGTONP-JWCSZMTBSA-N 313.357 3.037 50 40 DGGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OC 83292701 ULIKAQRLMRCISR-UNOMPAQXSA-N 312.369 3.166 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1cccn1-c1ccccc1 566271 YEVDUJSVADPXFI-HMMYKYKNSA-N 303.365 3.170 50 40 DGGB N#CC1=C(N)OC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 5604360 VMBHHRBMOGGJCL-HNNXBMFYSA-N 300.317 3.102 50 40 DGGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccccc1Cl 59434390 SYIJVDYAYOXYQJ-UHFFFAOYSA-N 321.808 3.495 50 40 DGGB COc1ccc(C(=O)N/N=C2/C=C(O)CC(C)(C)C2)cc1OC 100672647 WIXVDAHDEXOAIA-PDGQHHTCSA-N 318.373 3.052 50 40 DGGB CCN1c2ccc(/C=N/NC(=O)CC#N)cc2C(C)=CC1(C)C 208506627 LNDZEABRMUQFSC-UDWIEESQSA-N 310.401 3.072 50 40 DGGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1 408940876 VLDLELDGECRBAV-VBKFSLOCSA-N 302.333 3.244 50 40 DGGB O=C(N/N=C/c1ccccc1F)C12CC3CC(CC(C3)C1)C2 3909361 IEHJFNXYEWZSSB-RGVLZGJSSA-N 300.377 3.492 50 40 DGGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1nccs1 6051680 JATYJEMXVVMTCN-JXMROGBWSA-N 321.308 3.290 50 40 DGGB CC(C)CC(=O)NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 10160667 JEUGKHZVYCVZTI-UHFFFAOYSA-N 320.776 3.407 50 40 DGGB N[P@@](=O)(OCc1ccccc1)N(CCCl)CCCl 100955838 JSZWFLWJWIMZLD-GOSISDBHSA-N 311.149 3.050 50 40 DGGB N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 49859 ZHQGVQNRKHDCLP-WBVHZDCISA-N 306.390 3.462 50 40 DGGB COc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(C)cc2)cc1O 482128 GWKXZOVZVZIXMO-JKSUJKDBSA-N 317.772 3.405 50 40 DGGB O=C(N/N=C/c1ccc(O)cc1)c1cccc(C(F)(F)F)c1 921060 PIAIJBOIFKKOCD-DJKKODMXSA-N 308.259 3.175 50 40 DGGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccs1 32189134 NPZQOZDNHFDZSM-FRKPEAEDSA-N 318.789 3.122 50 40 DGGB CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB(CCCBr)O[C@@]21C 196284921 IFWLNKNUIWTYGB-XZUYRWCXSA-N 301.033 3.500 50 40 DGGB O=C(NN=Cc1ccc(Br)cc1)c1ccccc1 16701365 NWTGPWLADWVGMZ-UHFFFAOYSA-N 303.159 3.213 50 40 DGGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccc(O)c1 100194980 TVIFANCZCUKXIR-AUWJEWJLSA-N 314.348 3.401 50 40 DGGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccs1 528558 OLMQCGYMIUOJEE-OVCLIPMQSA-N 317.395 3.132 50 40 DGGB CCN(C(C)=O)c1nc(/C=C(\C#N)c2nc(C)cs2)cs1 9050342 VWGWEILPAQWUSK-VZUCSPMQSA-N 318.427 3.345 50 40 DGGB Cc1nnc(-c2ccc(N(CCCl)CCCl)cc2)o1 1686225 JIQQCPVKHRVHIY-UHFFFAOYSA-N 300.189 3.329 50 40 DGGB O=C(N/N=C/C=C/c1c[nH]c2ccccc12)c1cccc(O)c1 1881735 BXDWZMHBFNEIJW-PHNSAVJNSA-N 305.337 3.303 50 40 DGGB O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 44980211 HMFMBTYXLAAVQV-ZDUSSCGKSA-N 320.801 3.370 50 40 DGGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 85409011 ZRFQKUKXEPVFQJ-QGZVFWFLSA-N 308.337 3.009 50 40 DGGB Cc1c(/C=N\NC(=O)Cc2ccccc2)c2ccccc2n1C 33903143 JYOGHMREOYACBL-MOSHPQCFSA-N 305.381 3.180 50 40 DGGB CN(C)C(/C=C/Nc1ccc(OC(F)(F)F)cc1)=C(C#N)C#N 100913218 JRVSZQRGFQLQSB-BQYQJAHWSA-N 322.290 3.374 50 40 DGGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccco1 535396 PWOXFVBSMQPOKS-YVLHZVERSA-N 315.354 3.053 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 5381862 WKQINNLAGRDHIH-VIKFZNAYSA-N 301.346 3.137 50 40 DGGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1cccs1 5897014 OJGHHPNXOXJIMJ-AWEZNQCLSA-N 322.345 3.073 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1 12844027 HJJQJHGIMUTJQV-RGVLZGJSSA-N 310.397 3.449 50 40 DGGB CCOc1ccccc1/C=N\NC(=O)Cc1ccc(CC)cc1 409366873 ZTXVHFWCQXCQHO-ZHZULCJRSA-N 310.397 3.341 50 40 DGGB ClCCN(CCCl)c1ccc(C2OCCCO2)cc1 1662306 ZDLSLAQPFGCCKH-UHFFFAOYSA-N 304.217 3.406 50 40 DGGB COc1cccc2c(/C=C(\C#N)C(=O)Nc3cc(C)on3)c[nH]c12 44921224 OCJUOQOIKYQOGU-YRNVUSSQSA-N 322.324 3.019 50 40 DGGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC 83318655 OWPNNMHDNNYQLO-MOSHPQCFSA-N 324.380 3.332 50 40 DGGB CCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CCl 242554624 MPPPTDORYNZRSE-HZPDHXFCSA-N 308.853 3.175 50 40 DGGB Cc1cc(C(=O)N/N=C2/CCCC(=O)C2)c(C)n1-c1ccccc1 101750642 NIGKMGJVIHTGCR-HKWRFOASSA-N 323.396 3.323 50 40 DGGB Cc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1 5794091 DVPNGMLDHWMEDG-UHFFFAOYSA-N 318.376 3.152 50 40 DGGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)NCc1ccccc1 16479937 TUCCISNHLIWTLG-VBKFSLOCSA-N 321.380 3.103 50 40 DGGB COc1ccc(CC(=O)N/N=C(/C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107547595 QHCWNDHTNWAHPQ-IAMAGCTQSA-N 300.402 3.166 50 40 DGGB O=C(N/N=C/c1ccccc1OC(F)F)NC1CCCCC1 3283752 MGUYADTYPSJMHK-VCHYOVAHSA-N 311.332 3.254 50 40 DGGB N#CCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 4513364 PTKMZAAJGSYHCP-MNTWHLJPSA-N 307.313 3.171 50 40 DGGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 5013385 MPZDHPQNNKSQEM-MRXNPFEDSA-N 324.384 3.115 50 40 DGGB COc1ccc(/C=N/NC(=O)CCc2ccccc2)c(C)c1C 12137500 VCJNLTPDUDUNRF-DEDYPNTBSA-N 310.397 3.395 50 40 DGGB COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1ccccc1 20247882 RODWZGAFDDEZTF-RNEAKCBISA-N 314.410 3.326 50 40 DGGB COc1ccc(CSCC(=O)NN=C2CCCCC2)cc1 59503549 AFPFMZABEHEAHH-UHFFFAOYSA-N 306.431 3.365 50 40 DGGB O=C(N/N=C/c1ccc(F)s1)c1cc(-c2cccs2)on1 252492372 MKEIGSRQVSLQAL-VIZOYTHASA-N 321.358 3.368 50 40 DGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccnc2)cc1 1319921 LURKTBAPHXNRCZ-MQMKENTISA-N 311.385 3.124 50 40 DGGB CCOc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 2737344 LWUCFHISUIVCJW-UDWIEESQSA-N 307.353 3.331 50 40 DGGB CCOC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccco2)cc1 6046860 CQQDUXBCKHMDEB-WOJGMQOQSA-N 315.329 3.002 50 40 DGGB C/C(=N\NC(=O)c1ccccc1Cl)c1cnc2ccccc2n1 16137132 NMNIEVLDRPIYKG-SRZZPIQSSA-N 324.771 3.437 50 40 DGGB C/C(=N\NC(=O)[C@@H]1CCCO1)c1ccc2c(c1)Cc1ccccc1-2 585145716 KZUCKTKGGDIDQX-IOVUBPJKSA-N 320.392 3.277 50 40 DGGB CCn1ccnc1[P@](=O)(c1ccccc1)N1CCCCCC1 3172239 IYXNXDJXSWHVDN-JOCHJYFZSA-N 317.373 3.008 50 40 DGGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)c1 59502771 WJXCVAOYDBYZDX-VCHYOVAHSA-N 324.292 3.002 50 40 DGGB O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccco1 12765618 VPVFEBHMYZWGPZ-UHFFFAOYSA-N 322.320 3.147 50 40 DGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1 3343303 DBRJSKBWLYXOBS-DJKKODMXSA-N 308.259 3.175 50 40 DGGB CCOC(=O)C(=O)N(Nc1ccccc1C)c1ccccc1C 2305265 MVKIKXJENZGNHI-UHFFFAOYSA-N 312.369 3.227 50 40 DGGB CC(C)CCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1 226025436 TUQADHJRGHEHHM-UHFFFAOYSA-N 319.836 3.382 50 40 DGGB Cc1ccsc1/C=N/NC(=O)c1ccc(Br)o1 525165 NLYAGPMHPLARJX-AWNIVKPZSA-N 313.176 3.176 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2)c1ccccc1 2758988 SXUIDEQLLLQOEF-BPKVKKHESA-N 320.348 3.200 50 40 DGGB CCOc1ccc(C2=NC[C@@H](CBr)S2)cc1 4204605 LKQBOPKVKAANHO-LLVKDONJSA-N 300.221 3.342 50 40 DGGB O=C(NNC(=O)c1ccccc1Nc1ccccc1)c1ccco1 12633492 GRJYDAXUHCTKCI-UHFFFAOYSA-N 321.336 3.098 50 40 DGGB O=C(CBr)CCc1ccc(Br)cc1 84220748 WLUCXHIKPYCWPV-UHFFFAOYSA-N 305.997 3.346 50 40 DGGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1O 361453 XOEQKAJRBLGDSL-YBFXNURJSA-N 324.336 3.301 50 40 DGGB COc1cc2c3c(c1)C(=C(C#N)C#N)C(=O)N3C(C)(C)C=C2C 536878 RAAHBNTXLJFSGG-UHFFFAOYSA-N 305.337 3.038 50 40 DGGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/C[C@@H]2CC=C[C@H]12 34857688 IGSNLPZYAFWPCG-ZWSDHURGSA-N 323.318 3.186 50 40 DGGB N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCCc1ccccc1 44893917 SXKMVGRPBKJMPQ-GHRIWEEISA-N 315.376 3.434 50 40 DGGB CC(C)C(=O)N/N=C(\CC(=O)c1cccs1)C(F)(F)F 100079907 ZNVDTWGUWMCFOM-MHWRWJLKSA-N 306.309 3.011 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(C)c2C)c(Cl)c1 409051302 BUCQATCWMMQWRV-GIJQJNRQSA-N 303.793 3.368 50 40 DGGB CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1 12406870 ZWQJSDDYLGPAJF-ZDLGFXPLSA-N 318.760 3.208 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1 20194709 SWMVRWYAESYQTI-HMMYKYKNSA-N 310.397 3.395 50 40 DGGB COc1ccc(CC(=O)NNc2cccc(C(F)(F)F)c2)cc1 14907538 RLCKJGULAXQMHF-UHFFFAOYSA-N 324.302 3.400 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 5714136 WYMFOEBJWQYZRB-XDHOZWIPSA-N 300.333 3.378 50 40 DGGB C/C(=N/NC(=O)c1ccncc1)c1ccc2ccccc2c1O 12671820 WTXWEZCDRDKRNU-NDENLUEZSA-N 305.337 3.094 50 40 DGGB in-vitro CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2O)cc1 5953641 NFGITNJHFXDSID-LCYFTJDESA-N 324.336 3.042 50 40 DGGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 59117678 IMSMRWHULVJJTF-WJDWOHSUSA-N 320.348 3.466 50 40 DGGB CCN1c2ccc(/C=C(/C#N)C(=O)NC)cc2[C@@H](C)CC1(C)C 223535951 NVFGKVROPMXYBE-GRRFOWRYSA-N 311.429 3.452 50 40 DGGB Cc1n[nH]c2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 38827 AYCZAKJQRAVLNQ-INIZCTEOSA-N 302.337 3.090 50 40 DGGB CC(C)(C)[C@H]1CN[P@@](=O)(N(CCCl)CCCl)OC1 1571355 KWAPQEGATJPOMF-YPMLDQLKSA-N 317.197 3.156 50 40 DGGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccs2)C(C#N)=C(O)N1 2729080 NTEXFAZGKRERCU-CYBMUJFWSA-N 318.398 3.344 50 40 DGGB N#C/C(=C/c1ccc(Br)cc1)C(=O)N1CCCCC1 16733958 SJVVHRMFQJJUJM-RAXLEYEMSA-N 319.202 3.369 50 40 DGGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 33319327 PFJGADJCGNAINY-SXGWCWSVSA-N 318.720 3.404 50 40 DGGB CCCCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1 226027180 HVGKJMMAVLYAGP-UHFFFAOYSA-N 305.809 3.136 50 40 DGGB Cc1ccccc1/C=N/NC(=O)COc1ccccc1Cl 566413 IUMXJEAIIQSBGG-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB CC(C)/C(=N\NC(=O)CN(C)c1ccccc1)c1ccccc1 5230149 ZLBOLXFYQCNUPD-XUTLUUPISA-N 309.413 3.299 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 2330489 IXUZFKWBNFRYNK-XDHOZWIPSA-N 300.333 3.378 50 40 DGGB Cc1ccc(C(=O)CN(C(=O)CCl)c2ccccc2)cc1 3455743 DRAJFGZFBPECAX-UHFFFAOYSA-N 301.773 3.450 50 40 DGGB Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1F 44842284 POKSVHSPVMKMPH-RVDMUPIBSA-N 316.357 3.385 50 40 DGGB CCOc1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1 13537006 XBNNJEGXCGHGEE-KAMYIIQDSA-N 317.348 3.386 50 40 DGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 5618013 VYPKDZAZQLHXMJ-CPNJWEJPSA-N 310.353 3.186 50 40 DGGB COc1ccc(C(=O)N[C@H](Cl)C(Cl)(Cl)Cl)cc1 19958646 WPQYXDICFPONOB-VIFPVBQESA-N 316.999 3.360 50 40 DGGB CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 206242718 DXADUCWIFRVKFV-UVTDQMKNSA-N 314.385 3.060 50 40 DGGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(N)=O)cc1C 408872015 JCBWUDMTLZADAJ-LICLKQGHSA-N 306.365 3.275 50 40 DGGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)CC#N 409011524 NSFMNGIUJKBSDY-DEDYPNTBSA-N 309.369 3.382 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1C[C@H]2CC[C@@H]1C2 4646744 ANRXFLOWYGRAPO-UYVJIDMWSA-N 315.373 3.445 50 40 DGGB C=CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1 7157107 WFMNBMNSABQNIX-RVDMUPIBSA-N 308.337 3.068 50 40 DGGB N#CSc1ccc(NC(=O)CC2(C(=O)O)CCCC2)c(F)c1 8708870 MITVQSMTBDGEQF-UHFFFAOYSA-N 322.361 3.372 50 40 DGGB Cc1ccccc1/C=N/NC(=O)CNc1ccc(Cl)cc1 59514220 KYVKNRZHEQFBQW-VXLYETTFSA-N 301.777 3.211 50 40 DGGB FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@H](Cl)C[C@@H]1[C@H]2Cl 100114806 GNKANBMIUWGNED-TXICZTDVSA-N 302.045 3.056 50 40 DGGB COc1ccc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1 409372961 RFGVBEVFUNOAGF-ZDUSSCGKSA-N 301.415 3.038 50 40 DGGB CCOc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(Cl)c1O 7208373 XBKNYZHJBGMPNO-VZUCSPMQSA-N 309.749 3.303 50 40 DGGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846177 PYSQTTIXDALLSF-GOSISDBHSA-N 319.364 3.052 50 40 DGGB O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 44980199 UFMWXIFXLMPSGA-LBPRGKRZSA-N 320.801 3.370 50 40 DGGB Cc1cccn2c(/C=C(\C#N)c3nnc4n3CCCCC4)cnc12 98013157 CFEPCOGUGLKVAZ-GXDHUFHOSA-N 318.384 3.025 50 40 DGGB C=CCCCCCCCCC(=O)NNC(=O)c1ccncc1 5600931 NBNGSSAZPAJLPL-UHFFFAOYSA-N 303.406 3.149 50 40 DGGB O=C(N/N=C1/C[C@@H]2CC=C[C@@H]12)c1ccc(Br)cc1 38391306 JNQAKOOKMZFIKF-ZUZJPYFPSA-N 305.175 3.131 50 40 DGGB CCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 100500791 HQPIOKYETOHZRO-GXTWGEPZSA-O 306.854 3.278 50 40 DGGB CCCC[C@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C 260619393 KTRFOFVJPHDKSI-CZUORRHYSA-N 303.450 3.328 50 40 DGGB COc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3o2)c1 369653 RPVWPKHLSLAYKR-YBFXNURJSA-N 324.336 3.214 50 40 DGGB CCOC(=O)/C(=C\c1cccs1)N1C=CC=CC1=C(C#N)C#N 257173627 SRQSKRJVBZMCMA-MHWRWJLKSA-N 323.377 3.339 50 40 DGGB COC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 342759 SLVCCAZQSSSFAH-MHWRWJLKSA-N 323.348 3.354 50 40 DGGB O=C(COc1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 14017292 HVZJPZTYTLCNKJ-KEBDBYFISA-N 322.286 3.235 50 40 DGGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)cc2)cc1 493317 YYNKINYTXHCMFQ-XDHOZWIPSA-N 309.369 3.107 50 40 DGGB Cc1cc2occ(CC(=O)NNC(=O)c3ccccc3)c2cc1C 12510470 CFZSUXAXNFTGPO-UHFFFAOYSA-N 322.364 3.053 50 40 DGGB CC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223202988 KFRXBHUQQGKMHS-GWCFXTLKSA-N 309.841 3.201 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc3c(c2)CC(C)(C)O3)cc1 408710905 VURPUDHLTFLZHI-NDENLUEZSA-N 308.381 3.472 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2C)cc1 408791583 ZAJBJWIHFDQISX-LFIBNONCSA-N 320.348 3.327 50 40 DGGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1cccnc1 409150701 DBUVUHISDINRIB-XYOKQWHBSA-N 315.279 3.229 50 40 DGGB Cc1c(C#N)c(NC(=O)CCl)n(Cc2ccccc2)c1C 3440492 USHZIIAOSVZCEC-UHFFFAOYSA-N 301.777 3.202 50 40 DGGB Cc1cccc(OCC(=O)N/N=C\c2ccc(Cl)cc2)c1C 30838723 ASRJTTLWFVDZJB-GRSHGNNSSA-N 316.788 3.486 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1C 409242159 NBPDOEPLXNFSMM-DZBQEORWSA-N 307.397 3.426 50 40 DGGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1cccc2ccccc12 31672181 ZFKDUSKLWBMYRP-JAIQZWGSSA-N 318.332 3.332 50 40 DGGB COC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 178253 YSHKPHRUPVQOII-OVCLIPMQSA-N 323.146 3.399 50 40 DGGB COc1ccc(CC(=O)N/N=C/C(C)=C/c2ccccc2)cc1 4499122 LMHXCSPIEKAVTJ-FGKLCKCLSA-N 308.381 3.443 50 40 DGGB COc1ccc(C(=O)N/N=C/CCc2ccccc2)cc1OC 5361106 VHTKSZGEENCZMK-XDHOZWIPSA-N 312.369 3.052 50 40 DGGB C/C(=N\NC(=O)COc1c(C)cc(C)cc1C)c1ccco1 408949457 FLWKSGDQAAKDCM-NBVRZTHBSA-N 300.358 3.124 50 40 DGGB N#C/C(=C\c1csc(COc2ccc(Cl)cc2)n1)C(=O)O 60452693 NYMVDWPVQBQSAU-WEVVVXLNSA-N 320.757 3.367 50 40 DGGB N#C/C(=C/[C@H]1CCC[C@@H]([N+](=O)[O-])C1)C1CCC([N+](=O)[O-])CC1 5600236 SKMLWKVLVSMLDJ-ZRTXLHCZSA-N 307.350 3.107 50 40 DGGB Cc1cc(OC(=O)CCl)ccc1-n1c(C)cc(C=O)c1C 8702871 ITBDEHSMFBWDIY-UHFFFAOYSA-N 305.761 3.359 50 40 DGGB CCc1ccc(OCC(=O)N/N=C2/CCc3ccccc32)cc1 34107875 IVWZUKKXLSNVEQ-ZZEZOPTASA-N 308.381 3.095 50 40 DGGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 408939515 STSWNLSMYVMVSF-PTNGSMBKSA-N 320.323 3.383 50 40 DGGB Cc1csc([C@H]2C(=N)NC(S)=C(C#N)C23CCCC3)n1 36048049 LCGGOWPFINJVAZ-SNVBAGLBSA-N 304.444 3.341 50 40 DGGB N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1 13135307 WKPCXTXAMHGAFK-NBVRZTHBSA-N 318.376 3.313 50 40 DGGB COc1ccc(CC(=O)N/N=C/c2c(C)cc(C)cc2C)cc1 588216 UREVLERXSIVVFK-UDWIEESQSA-N 310.397 3.313 50 40 DGGB CC1(C)CC(=O)C2=C(C1)S[C@H](c1ccco1)C(C#N)=C2N 125394 CIERSCDCUDKVGC-HNNXBMFYSA-N 300.383 3.447 50 40 DGGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(N)=O 3242715 LNUABETXKBEUKV-RIYZIHGNSA-N 312.756 3.311 50 40 DGGB O=[N+]([O-])c1ccc([C@H](Cl)S(=O)(=O)c2ccccc2)cc1 6575505 BVTJVRXMCWRZKE-CYBMUJFWSA-N 311.746 3.306 50 40 DGGB CCOC(=O)NNC(=O)c1oc2c(ccc3ccccc32)c1C 15425157 WKCAFDLTKMAKLU-UHFFFAOYSA-N 312.325 3.285 50 40 DGGB Br[C@@H]1COC2(CCN(CCc3ccccc3)CC2)C1 45221384 LUCVTUNPBMKWBJ-HNNXBMFYSA-N 324.262 3.248 50 40 DGGB COC(/C=C/Nc1ccc(Br)cc1)=C(C#N)C#N 100332050 KTFFWACZUBIJBT-VOTSOKGWSA-N 304.147 3.322 50 40 DGGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 493435 ZSQGVNSLKUHWQX-VGOFMYFVSA-N 309.734 3.074 50 40 DGGB Cc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cn1 4724688 BWJYJHWZILXDGJ-LSCVHKIXSA-N 308.168 3.461 50 40 DGGB O=C(NNc1ncnc2cc(F)ccc12)c1cc2ccccc2o1 97105447 YCSSNFCCBBUJRB-UHFFFAOYSA-N 322.299 3.272 50 40 DGGB CCn1c(C)cc(/C=N\NC(=O)Nc2ccccc2OC)c1C 409106185 MTLWPIRHEKRSCF-WQRHYEAKSA-N 314.389 3.289 50 40 DGGB N#C/C(=C/c1cccs1)C(=O)NCCc1c[nH]c2ccccc12 33381547 UUMKFWNWTWLXPQ-UVTDQMKNSA-N 321.405 3.495 50 40 DGGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(Cl)cc1 13954020 RNJOEZWYPOWNNX-LDADJPATSA-N 302.761 3.259 50 40 DGGB C/C=N\NC(=O)COc1ccc2cc(Br)ccc2c1 15920520 QKXJNJREYBLYMA-CFZMTHNTSA-N 321.174 3.103 50 40 DGGB O=C(Nc1nnc(CCc2ccccc2)s1)C(Cl)Cl 105622207 YAWHCTIJNKRQTE-UHFFFAOYSA-N 316.213 3.066 50 40 DGGB C/C(=N\NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 101580772 VXLYUPURGLVKQW-KEBDBYFISA-N 312.760 3.370 50 40 DGGB CC1(C)CC(=O)C2=C(C1)O[C@@H](c1cccs1)C(C#N)=C2N 4004766 OTTINCBGVMEZMP-OAHLLOKOSA-N 300.383 3.199 50 40 DGGB CCOCCCNC(=O)/C(C#N)=C/c1cc(C)c(C)cc1C 7159430 ZZKYWYNDVMNBSD-GZTJUZNOSA-N 300.402 3.062 50 40 DGGB O=C(N=C=S)c1ccc(Br)cc1Br 73638359 KOBOABPXOJALML-UHFFFAOYSA-N 320.993 3.455 50 40 DGGB CCOc1ccc(/C(C)=N/NC(=O)c2cccc(OC)c2)cc1 13966937 MKLULYMQAMWJQZ-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)c1 8336193 QFPIOYCQNXFPDE-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 27822 XREUEUBNVNKHHU-UHPUNMKFSA-N 323.179 3.177 50 40 DGGB COc1ccc(CC(=O)N/N=C(\C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105395084 QHCWNDHTNWAHPQ-LUCAVWLZSA-N 300.402 3.166 50 40 DGGB Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccccc2)c1C 2147631 LCAYVOSQRXTDOM-DEDYPNTBSA-N 323.396 3.172 50 40 DGGB O=c1nc2c3ccccc3nc(CCl)n2nc1-c1ccccc1 24841860 IFOFQROVIIIIFZ-UHFFFAOYSA-N 322.755 3.044 50 40 DGGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OC 408801198 SEIRMLFRWPQYBP-LERPTODRSA-N 314.385 3.082 50 40 DGGB Cc1ccccc1NCC(=O)N/N=C\c1c(F)cccc1Cl 4562403 OECDCHXSXQJKQK-UKWGHVSLSA-N 319.767 3.350 50 40 DGGB O=C(N/N=C/c1ccccc1O)c1ccc(-c2ccccc2)o1 4603135 KBOGBTDZZQXZQW-XDHOZWIPSA-N 306.321 3.416 50 40 DGGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 4710501 YEJZZZKKFYERHH-RIYZIHGNSA-N 313.788 3.401 50 40 DGGB CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(-c2ccccc2)cc1 96518922 VWBXZWSQPICEMC-HOTGVXAUSA-N 324.829 3.387 50 40 DGGB CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C(F)(F)F 575440735 WCGXDMBPSBDJBB-UHFFFAOYSA-N 300.277 3.183 50 40 DGGB in-vitro C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccco1 5638650 FBEZMRCEYWGIGC-MHWRWJLKSA-N 321.174 3.125 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 5431637 CAOJLIMSGFLYBW-CPNJWEJPSA-N 312.369 3.005 50 40 DGGB C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccnc1 59464 NGQHFFROJROKFO-HADWXUJASA-N 319.364 3.152 50 40 DGGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(N)=S)cc1OCC 408544313 VIJJQJFHGMNZIT-IZZDOVSWSA-N 322.817 3.497 50 40 DGGB CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(-c2ccccc2)cc1 96518923 VWBXZWSQPICEMC-JKSUJKDBSA-N 324.829 3.387 50 40 DGGB CC(C)/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 13957363 OULJSZQWNXUEJH-HTXNQAPBSA-N 310.353 3.205 50 40 DGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1Cl 225846 NXSJMUCYJRJQRR-CXUHLZMHSA-N 303.705 3.012 50 40 DGGB CCC1CCC(=NNC(=O)COc2ccccc2OC)CC1 5444731 FDXVATSABDWXDI-UHFFFAOYSA-N 304.390 3.146 50 40 DGGB N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)NC1CCCCC1 5729079 QPUVIQUDOLLWHA-PTNGSMBKSA-N 320.396 3.433 50 40 DGGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccccc1Cl 83324988 IFMXDCRVEJLVOY-PUMYGXPMSA-N 316.788 3.304 50 40 DGGB O=C(CCc1ccccc1)NNc1c(F)c(F)cc(F)c1F 3397851 DIVFPVXNQGTASC-UHFFFAOYSA-N 312.266 3.319 50 40 DGGB COc1ccccc1NC(=O)c1ccccc1NC(=O)CCl 4601614 RXQUBRHOXOQQPT-UHFFFAOYSA-N 318.760 3.125 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] 100182295 WTGZNJVIGDBNMS-ORNDDERHSA-N 315.373 3.180 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccco1)Sc1ccccc12 495679 FSBJZAMEDDARSA-HNNXBMFYSA-N 318.361 3.418 50 40 DGGB N#C/C(C(N)=O)=C1/SC=C(c2ccccc2)N1c1ccccc1 520244 IBTXEYYJLWRZOL-SDXDJHTJSA-N 319.389 3.459 50 40 DGGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1 445972 GUUUYNAWKRRMGI-GXDHUFHOSA-N 308.337 3.337 50 40 DGGB C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)C(=O)N1CCCCC1 574663 TWCKOLIAVDJCPL-RFRKOGIWSA-N 308.381 3.313 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1 3257993 NUIHVSMPKLBMCN-NTEUORMPSA-N 307.309 3.449 50 40 DGGB Cc1ccsc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7384871 RJIJNCIQUKXNAV-LDADJPATSA-N 313.426 3.421 50 40 DGGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccccc1Cl 28216557 GTVUHMIJGWCVDS-VXLYETTFSA-N 314.776 3.111 50 40 DGGB N#C/C(=C/c1ccc(Br)cc1)C(=O)NC1CCCC1 54841847 IEXDNWRLNUPDMI-XFXZXTDPSA-N 319.202 3.415 50 40 DGGB O=C(NP1(=O)NCc2ccccc2CN1)OC1CCCCC1 104225636 DIJRRIQABGYPIT-UHFFFAOYSA-N 323.333 3.046 50 40 DGGB O=C(N/N=C/C=C/c1ccco1)c1ccc(Br)cc1 2896553 UCRIWYPMZDZCQJ-VWIMEHRESA-N 319.158 3.471 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 408962778 UWRCDUCINVTHBH-LZYBPNLTSA-N 313.269 3.006 50 40 DGGB Cc1cc(C)c(OCC(=O)N=C=S)c(Br)c1 70461491 NBHVDLXOJXSBOI-UHFFFAOYSA-N 300.177 3.074 50 40 DGGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)cc1 33368770 HGBJOOGGHCBWTI-NDENLUEZSA-N 305.337 3.414 50 40 DGGB O=P(COC[C@@H]1CCCO1)(c1ccccc1)c1ccccc1 1229898 DRSNNRBHMIRWRS-INIZCTEOSA-N 316.337 3.154 50 40 DGGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(SC#N)cc3)C(=O)[C@@H]2C1 4162305 ZZEHRNOHYOWJJX-LERXQTSPSA-N 300.383 3.185 50 40 DGGB CC1(C)[C@]2(C)CC[C@@]1(Br)[C@@H](Br)C2=O 11024211 YEXZCNXNSPYHTN-WQGWLQIFSA-N 310.029 3.293 50 40 DGGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OC)cc1 20197233 FZNJFUXZTWBDDR-CPNJWEJPSA-N 312.369 3.248 50 40 DGGB CC(=O)Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1 408757354 YUHVFODYEPKKOY-VCHYOVAHSA-N 316.744 3.029 50 40 DGGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 34746694 YRPSQDHUNUMSHI-XFXZXTDPSA-N 311.272 3.280 50 40 DGGB O=C=NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98050257 VLDIUJSIYGNGJT-UHFFFAOYSA-N 318.336 3.274 50 40 DGGB COc1ccc([N+](=O)[O-])c(C[N+](C)(CCCl)CCCl)c1 1638770 CPFIDHYQXYXFGJ-UHFFFAOYSA-N 322.212 3.028 50 40 DGGB O=C(O)c1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 1705494 NEVLHSSRRDCGKU-UDWIEESQSA-N 318.332 3.302 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)c(F)c1 4524070 KZRZIGMMYGBXCP-DJKKODMXSA-N 301.708 3.115 50 40 DGGB CCOC(=O)/C(C#N)=C\c1c(-c2ccccc2)nn2ccccc12 5574793 BSMUJWKDWACCHV-QINSGFPZSA-N 317.348 3.471 50 40 DGGB O=C([C@@H](Cl)c1ccccc1)N1CCN(c2ccccc2)CC1 5672736 QJKGLVDCFOSXEJ-KRWDZBQOSA-N 314.816 3.315 50 40 DGGB CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1 19802783 MWAFUYZPEXGPIM-OAHLLOKOSA-N 314.410 3.309 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C\c2occc2C)cc1OC 98013721 FAGXTUGFVXHWAY-WQLSENKSSA-N 312.325 3.151 50 40 DGGB COc1cccc(F)c1[C@@H](C)NC(=O)/C(C#N)=C\c1ccco1 98056023 BRNSHPVDVBAXIS-ZGSOTFDTSA-N 314.316 3.212 50 40 DGGB CCc1cc(C(=O)N/N=C/c2ccccc2O)c2ccccc2n1 249354 MUJSUXGPKIKCTO-UDWIEESQSA-N 319.364 3.267 50 40 DGGB O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Br)o1 482741 PUEFWQHWNZYJCA-JUCGOJAOSA-N 311.179 3.194 50 40 DGGB FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@H](Cl)C[C@H]1[C@H]2Cl 3141199 GNKANBMIUWGNED-NRXMZTRTSA-N 302.045 3.056 50 40 DGGB N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 4708334 GMMUCOITMAKCNB-QGZVFWFLSA-N 317.348 3.396 50 40 DGGB O=C(CCl)N1N=C(/C=C/c2ccco2)C[C@H]1c1ccco1 7986276 UNTPLLJVRWOSIV-GFUIURDCSA-N 304.733 3.454 50 40 DGGB CC(C)(C)OC(=O)N1[C@@H](/C=C/CBr)COC1(C)C 38243364 LRQFEHKKEOQOPY-FGEFZZPRSA-N 320.227 3.310 50 40 DGGB O=C(CCl)Nc1cccc2c(NC(=O)CCl)cccc12 59663369 PINVVSVJQXPXAA-UHFFFAOYSA-N 311.168 3.194 50 40 DGGB COc1ccc(/C=C(\C#N)c2cc(OC)c3c(c2)OCO3)cc1 66091379 FWOIUSGFCCEQFD-VGOFMYFVSA-N 309.321 3.497 50 40 DGGB CN(C)c1ccc2c(c1)NC(N)=C(C#N)[C@@H]2c1cccc(F)c1 72408182 KOKRCJRZZPRTME-QGZVFWFLSA-N 308.360 3.143 50 40 DGGB O=C(CBr)c1cc(F)cc(F)c1Br 258833873 MZDHFSGLDLASEI-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB CCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O 12406826 CLGOFODPOCRHEY-ZDLGFXPLSA-N 318.760 3.208 50 40 DGGB O=S(=O)(Nc1cccc(F)c1)c1ccc(CCCl)cc1 20190898 OUTMDXJBLYOHBK-UHFFFAOYSA-N 313.781 3.408 50 40 DGGB O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 58627204 VGQPSRFVQSOMCO-CAOOACKPSA-N 309.152 3.463 50 40 DGGB Cc1ccc(-n2c(=O)c3ccccc3n3c(CCl)nnc23)cc1 15424610 GCMKBJOFSHRAFS-UHFFFAOYSA-N 324.771 3.081 50 40 DGGB CC(=O)Oc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1 19805764 QITXAKAWYPRVAQ-SFHVURJKSA-N 322.364 3.103 50 40 DGGB COc1ccc(CCCC(=O)N/N=C/c2ccc(C)o2)cc1 32116549 NAFFOKVHPUNDSY-LDADJPATSA-N 300.358 3.070 50 40 DGGB O=[N+]([O-])c1ccc(OC[C@@H](Br)C(F)(F)F)cc1 85134510 ZVIZPMYXWLNILE-MRVPVSSYSA-N 314.057 3.299 50 40 DGGB CC(C)(C)OC(=O)N1C(=O)[C@H](CCCCl)C[C@H]1CN=[N+]=[N-] 88365626 SAIHGVGLDAKYHF-ZJUUUORDSA-N 316.789 3.468 50 40 DGGB CCC[C@@H](C(=O)NN)N1c2c(C)cccc2[C@H](C)CC1(C)C 260612721 ANXNZWZENJNDDU-HIFRSBDPSA-N 303.450 3.246 50 40 DGGB CCc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc1 5477271 WRVSQDNJANUVEI-VCHYOVAHSA-N 302.761 3.372 50 40 DGGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1cc(C)oc1C)C(O)=N2 8156287 BKCGDAQDYKENBI-UHFFFAOYSA-N 311.341 3.249 50 40 DGGB Cc1ccc(C)c(NC(=S)NNC(=O)c2sccc2C)c1 13858338 PHTIYPUEBCVOHZ-UHFFFAOYSA-N 319.455 3.305 50 40 DGGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(O)cc1 18192288 RIIMYDKFHVFDKU-QGOAFFKASA-N 314.410 3.166 50 40 DGGB Cc1ccc(C(=O)N(N)c2oc(-c3ccccc3)nc2C#N)cc1 27061852 RHQBRWNIHDQWPT-UHFFFAOYSA-N 318.336 3.042 50 40 DGGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 45958363 SNKQZBVLCRIERG-CYBMUJFWSA-N 311.768 3.376 50 40 DGGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1c[nH]c2ccccc12 58887222 BICAEJHTKMCLLI-LANLRWRYSA-N 321.380 3.132 50 40 DGGB O=C(CBr)c1c(F)ccc(Br)c1F 238616052 UTJRWTCQXAVXON-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1C 408775029 FGGDKLGFZOTBLK-FYJGNVAPSA-N 319.408 3.488 50 40 DGGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccncc1 408864289 VCIZKIPVULTHKI-CIAFOILYSA-N 301.349 3.097 50 40 DGGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1 408940825 VGIVGPAYQWUXPS-PTNGSMBKSA-N 320.323 3.383 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)o1 220325 RTUYCGWRLHUPIH-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB COC(=O)CSC1=C(C#N)C(O)=N[C@H](c2ccccc2)S1 552042 BMVMKTNMDRHJOF-ZDUSSCGKSA-N 320.395 3.030 50 40 DGGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccccn1 3181806 SSHQDPZEVAXFBK-FMIVXFBMSA-N 315.279 3.229 50 40 DGGB CCC/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccccc1 5560520 ORJMNXJWQKMGEV-DYTRJAOYSA-N 321.380 3.258 50 40 DGGB CCOc1ccc(NCC(=O)N/N=C2\CCC[C@H]2CC)cc1 12404040 QGTLGZSTYJGYGQ-OOESYIKTSA-N 303.406 3.180 50 40 DGGB O=C(CCl)N(Cc1cccc(Br)c1)C1CC1 32187383 HXGRVSRFKPNUKT-UHFFFAOYSA-N 302.599 3.179 50 40 DGGB COc1ccccc1[C@@H](CBr)OC1CCOCC1 50480196 URENTZAFECEONT-CQSZACIVSA-N 315.207 3.327 50 40 DGGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408760728 FATVVECBHIPCIZ-MHWRWJLKSA-N 320.348 3.466 50 40 DGGB COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(F)cc1 2795967 RRTBDIUARQCWRT-GIJQJNRQSA-N 306.724 3.252 50 40 DGGB COC(=O)N/N=C/c1cccc(Cc2ccccc2Cl)c1O 4662647 XJSRZLAHUONCLK-VCHYOVAHSA-N 318.760 3.326 50 40 DGGB COC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1 32578350 RJQNIYSEVQWMRH-DOOFWDELSA-N 310.353 3.469 50 40 DGGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1 216067716 ZPGYIOPVUPOKSI-CPNJWEJPSA-N 312.369 3.335 50 40 DGGB COC(=O)c1ccsc1C(Br)Br 536949389 KDQVHEWEPIPZFY-UHFFFAOYSA-N 313.998 3.323 50 40 DGGB COc1ccccc1NC(=O)c1ccc(NC(=O)CCl)cc1 3316811 ZULCPMHPXUEANI-UHFFFAOYSA-N 318.760 3.125 50 40 DGGB O[C@@H](CCl)C/N=c1\sc2ccccc2n1-c1ccccc1 13161839 PLGRTBDJHAODOQ-VDMFXUGISA-N 318.829 3.192 50 40 DGGB CN(NC(=O)Cc1ccccc1)c1ccc(Br)cc1 248461 KREMTWXZDQQTNI-UHFFFAOYSA-N 319.202 3.159 50 40 DGGB biogenic CCC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223221101 LMNRJPMXAXCEFF-MRXNPFEDSA-N 315.461 3.464 50 40 DGGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccncc1 222231 MVUJDTYXCXVPOV-HADWXUJASA-N 319.364 3.152 50 40 DGGB CN(CCC#N)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 7914673 PWTDDWIWJBLLJG-XSFVSMFZSA-N 321.384 3.192 50 40 DGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(F)(F)F)c1C 44196854 ZVMVTMSYHIAKFY-NTUHNPAUSA-N 313.323 3.100 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[C@]12C=C[C@@H](CC1)C2 104941177 YFOKAEBVDIPRDR-YARKZXGKSA-N 310.397 3.326 50 40 DGGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1 58885706 CPDHLEURDVNSCP-UHFFFAOYSA-N 303.406 3.314 50 40 DGGB Br[C@H]1COC2(CCN(CCc3ccccc3)CC2)C1 45221387 LUCVTUNPBMKWBJ-OAHLLOKOSA-N 324.262 3.248 50 40 DGGB Cc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1 585276 GKINOXGGMUVSRQ-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 7157987 IXJQORVZLFBIAB-QBDRBRNDSA-N 311.429 3.354 50 40 DGGB CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc(C)c1C 118521 ZLCJGIAOOWTERW-UHFFFAOYSA-N 310.202 3.284 50 40 DGGB COc1ccc(OC)c(/C=N/NC(=O)c2cccc(Cl)c2)c1 59932 GAGGKAPJDYMNAH-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB Cc1cccc(C)c1OCC(=O)Oc1ccc([N+](=O)[O-])cc1 75668 LWOJREQOZKUEGL-UHFFFAOYSA-N 301.298 3.196 50 40 DGGB C[C@](Br)(C(=O)O)[C@@H](Br)c1ccccc1 1755194 TWPSWLFBYHEOGG-WCBMZHEXSA-N 321.996 3.361 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 4465921 CDUBBQXLRFAUGV-LCYFTJDESA-N 324.311 3.143 50 40 DGGB C/C(N)=C(\C#N)C(=O)CSc1cc(Cl)ccc1Cl 104865959 UXWWIMORCCTJCT-CLFYSBASSA-N 301.198 3.411 50 40 DGGB O=C(CBr)c1ccc(Br)c(F)c1F 238553553 QUYBDMZOMQSNTM-UHFFFAOYSA-N 313.923 3.305 50 40 DGGB COc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409231257 JCGZPTNZIMDVPU-GRSHGNNSSA-N 320.751 3.181 50 40 DGGB C/C(=N\NC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 5370439 GANJQGYMDGBXMF-LICLKQGHSA-N 317.732 3.402 50 40 DGGB Cc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1 5684577 IYYDRZNLDONEQI-LZYBPNLTSA-N 308.790 3.484 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(C)s2)c(C)c1 6189776 LQAFCIHVSFPLCC-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB COc1cc(CNC(=O)CCl)ccc1OCc1ccccc1 8428172 JLPCKUCIMAMDHJ-UHFFFAOYSA-N 319.788 3.129 50 40 DGGB CC(C)(C)C1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C(C#N)=C(N)O1 545689 VJJWXBKIMGKWRF-HNNXBMFYSA-N 323.352 3.047 50 40 DGGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@H]1c1cccs1 1613406 ROOOJCXTFPVMSN-AWEZNQCLSA-N 309.394 3.133 50 40 DGGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 59133189 VPDWNNXRRGBCJD-LFIBNONCSA-N 320.348 3.466 50 40 DGGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1[N+](=O)[O-] 101358579 WTGZNJVIGDBNMS-PBJSLJLMSA-N 315.373 3.180 50 40 DGGB Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CCl)[C@H]3CCC1 4812003 FKJAKGFIQJNVFO-DYVFJYSZSA-N 318.848 3.242 50 40 DGGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2ccccc2n1 7988131 DBXPEXAYRFIUHY-CIAFOILYSA-N 314.348 3.480 50 40 DGGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cccs1 32558251 UDYRMLKFZJFITD-ZDUSSCGKSA-N 320.377 3.356 50 40 DGGB NNC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl 45923340 PTJHGUDVCCHLHD-UHFFFAOYSA-N 321.764 3.359 50 40 DGGB Cc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)o1 261732 UNOGLMROKFHZHW-RGVLZGJSSA-N 307.353 3.303 50 40 DGGB O=C(CCCCc1cccs1)N/N=C/c1ccc([N+](=O)[O-])o1 2727468 OIDZMIGQANUAQL-XNTDXEJSSA-N 321.358 3.112 50 40 DGGB Cc1ccc(C(=O)[C@H](Br)CBr)cc1F 306908872 GWNIFMXPNQLWAS-MRVPVSSYSA-N 323.987 3.475 50 40 DGGB CCO[Si](Cc1ccc(F)c(F)c1F)(OCC)OCC 575182231 LSWUDWOQAZSJKG-UHFFFAOYSA-N 308.372 3.234 50 40 DGGB CCN(CC)/C(=N\C(=O)Nc1cc(C)on1)C(Cl)Cl 95676895 HITZVYYUWCDZNG-GDNBJRDFSA-N 307.181 3.059 50 40 DGGB C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 12403722 HLWKLVLMAMXFRF-YVLHZVERSA-N 317.732 3.402 50 40 DGGB CC(C)c1ccc(/C=N/NC(=O)CSc2ccccn2)cc1 124457 UQSLNFHKRACWTJ-YBFXNURJSA-N 313.426 3.447 50 40 DGGB CC/C(Cc1ccccc1)=N/NC(=O)c1cccc([N+](=O)[O-])c1 222455 GRHZEHUFIXCKPP-SDXDJHTJSA-N 311.341 3.333 50 40 DGGB C=CCNc1nc(N)c(C(=C(C#N)C#N)c2ccccc2)s1 2070661 ILXFKXXSOOZDBU-UHFFFAOYSA-N 307.382 3.172 50 40 DGGB CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CSc1ccccn1)C2 21160987 YOILTBUDMYYJAQ-GOSARRMJSA-N 317.458 3.492 50 40 DGGB CC(C)(C)OC(=O)N[C@@H](CCBr)C1CCOCC1 35633028 PUZPQHGFWSMSNX-NSHDSACASA-N 322.243 3.091 50 40 DGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])c1 39486048 MYUALPKAKAQUKE-LCYFTJDESA-N 323.308 3.149 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C)c(C)c2)c(O)c1 409392706 RKFFYCFROHRHBJ-CPNJWEJPSA-N 312.369 3.172 50 40 DGGB COc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 59635 UPSDUCJJPJUNKO-UDWIEESQSA-N 320.348 3.318 50 40 DGGB Cc1cccc(C(=O)N/N=C/c2coc3ccc(C)cc3c2=O)c1 2754223 FZDYFEJHJXDRSO-KEBDBYFISA-N 320.348 3.174 50 40 DGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C[C@@H]2C=CC[C@H]12 5925671 NYYJTAPCIPUCPP-CSENDCNOSA-N 304.777 3.095 50 40 DGGB CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1 17053010 VUMJYPFGADOYQI-XYOKQWHBSA-N 314.776 3.411 50 40 DGGB Cc1ccsc1/C=N\NC(=O)COc1ccccc1Cl 33328571 NRONELHWZWRTNP-PXNMLYILSA-N 308.790 3.239 50 40 DGGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(C)cc2C)cc1 59472486 KKZLYNIYWSVWMD-UHFFFAOYSA-N 320.396 3.068 50 40 DGGB Cc1ccc(Cc2ccc(C(=O)NN)n2Cc2ccccc2)cc1 226029887 SHVVHAVIGAWLNU-UHFFFAOYSA-N 319.408 3.039 50 40 DGGB Cc1cccc(NC(=O)COc2ccc(C=C(C#N)C#N)cc2)c1 409005518 DYALXTQZFRNCOK-UHFFFAOYSA-N 317.348 3.443 50 40 DGGB C/C(=N\NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1 175103 WESYPQCPRHWCKH-DEDYPNTBSA-N 320.348 3.255 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)o1 482669 JUAORCQIAUQEEE-VCHYOVAHSA-N 300.358 3.241 50 40 DGGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccs1 2801400 BEDMPJUNZHWBFU-JSJZUPIVSA-N 308.790 3.319 50 40 DGGB CCOC(=O)c1sc(NC(=O)C2CC2)c(SC#N)c1C 7345626 LOFHAZZRXSCBLB-UHFFFAOYSA-N 310.400 3.155 50 40 DGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc1 79480643 QUQURZHXUIQECN-QGZVFWFLSA-N 317.348 3.395 50 40 DGGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(N)=S)o1 408542597 JWSOKKHTJSAYFK-WDZFZDKYSA-N 312.350 3.146 50 40 DGGB C=CCn1c(C)c(/C=N/NC(=O)c2ccco2)c2ccccc21 562611 TVGGEXKVZLXWRT-XDHOZWIPSA-N 307.353 3.493 50 40 DGGB CCOc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)cc2c1 2340251 WAEUCDXOMQXILX-YBFXNURJSA-N 323.352 3.036 50 40 DGGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 3616382 FOGKLWYGHQZNBU-JLHYYAGUSA-N 323.308 3.149 50 40 DGGB FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Cl)[C@@H]1C[C@H]2Cl 4577875 GNKANBMIUWGNED-SKNVOMKLSA-N 302.045 3.056 50 40 DGGB C/C(=N\NC(=O)CO/N=C(\C)c1cccs1)c1cccs1 5447130 ORECAZKKZJFIST-OMRAMHMRSA-N 321.427 3.091 50 40 DGGB N#CC(C#N)=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 34065236 ONQHEUFDNICPMX-UHFFFAOYSA-N 319.276 3.245 50 40 DGGB CCC[C@H](C(=O)NN)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223221819 ANXNZWZENJNDDU-DZGCQCFKSA-N 303.450 3.246 50 40 DGGB N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NC1CCCCC1 133024 FYSCKBVOFAXMTC-WJDWOHSUSA-N 308.381 3.361 50 40 DGGB C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccccc1Cl 233117 KAVPRRCGCXIXQM-LICLKQGHSA-N 304.781 3.341 50 40 DGGB COc1ccc(C(=O)CBr)c(Br)c1 37444571 GOOOJKFZIYIHDF-UHFFFAOYSA-N 307.969 3.035 50 40 DGGB COC(=O)/C(C#N)=C1\C[C@H](C)CC[C@H]1C(SC)=C(C#N)C#N 59662381 XCNYYZNYQTZDOL-QVPHRZRMSA-N 315.398 3.080 50 40 DGGB O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CCl 77286993 MSNQYFAIUPNYQK-OAHLLOKOSA-N 318.800 3.481 50 40 DGGB in-vitro O=C1OC(=O)[C@H]2[C@H]1[C@]1(c3ccccc3)C=C[C@]2(c2ccccc2)C1 100494294 ZIRTUTAGQSEEAH-DEPWHIHDSA-N 316.356 3.152 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(O)c1 4827398 DFDQLUVSOGSSEJ-GIJQJNRQSA-N 302.761 3.426 50 40 DGGB COc1ccc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1 409372955 RFGVBEVFUNOAGF-CYBMUJFWSA-N 301.415 3.038 50 40 DGGB N#CCn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 33714569 AMLLFMPITUKACB-SRZZPIQSSA-N 320.327 3.068 50 40 DGGB Cn1c(SCCCCl)nnc1-c1cc(F)ccc1F 228979934 JHWVDMSFOZZMQG-UHFFFAOYSA-N 303.765 3.481 50 40 DGGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 203562 YJWYVMUFWRYRSD-GOSISDBHSA-N 320.348 3.196 50 40 DGGB C[C@]12C(=O)C[C@H](C[C@@H]1Br)[C@@]2(C)CBr 4228152 SPFMPLHTTYXRFI-AKEJEFCPSA-N 310.029 3.150 50 40 DGGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1O 106068572 NYPPCHMWUJVNKD-XPYLLEAFSA-N 316.401 3.067 50 40 DGGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 211326344 RZAAIMDLCUQMIP-NTCAYCPXSA-N 320.323 3.383 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1 213902593 UTWNRWYDUNZRTA-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 267639 JWTOOTVXVKXCMK-CAOOACKPSA-N 321.695 3.151 50 40 DGGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 144279 IIKNYPIBQKQDIU-ZHACJKMWSA-N 305.297 3.448 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4814879 WLAPMKSBBSPJNW-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB N#C/C(=C\[C@H]1CCC[C@@H]([N+](=O)[O-])C1)C1CCC([N+](=O)[O-])CC1 1735564 SKMLWKVLVSMLDJ-GRPFQTHJSA-N 307.350 3.107 50 40 DGGB O=Cc1coc2c(CCl)cc(Br)cc2c1=O 3319049 XVSISUCIGCDZAT-UHFFFAOYSA-N 301.523 3.107 50 40 DGGB COc1ccc(C(=O)Nc2cccc(C=C(C#N)C#N)c2)cc1 3546975 PBHVVBIXYHDYIF-UHFFFAOYSA-N 303.321 3.378 50 40 DGGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C 4544297 VFCBWOFPXCXQLU-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB COC(OC)(c1ccccc1)C(Br)Br 1641923 WPOLJTXVJCRRKU-UHFFFAOYSA-N 324.012 3.248 50 40 DGGB Br[C@H]1CC[C@H]2N=C(N/N=C/c3ccccc3)S[C@@H]12 5600539 DFGPUHCURMBYPL-ZLHKQHFCSA-N 324.247 3.007 50 40 DGGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(OCC)cc1 8082095 PEIUBVNTSAJMDE-XSFVSMFZSA-N 324.380 3.414 50 40 DGGB CCCc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)o1 20765092 SLMJEQIFGAHQET-LDADJPATSA-N 300.358 3.395 50 40 DGGB CCCC[C@@H](CC)CNC(=O)NNC(=O)c1ccc(C)cc1 29327538 SYLHOIRPVGYVLZ-CQSZACIVSA-N 305.422 3.155 50 40 DGGB O=C(N/N=C/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 4702473 BDXYWUBWNCWWIT-OOBLOVEQSA-N 313.288 3.163 50 40 DGGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101155992 ANRXFLOWYGRAPO-NHLUXJBNSA-N 315.373 3.445 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2F)cc1 223173328 YFRHPSNGZKPQKA-UVTDQMKNSA-N 324.311 3.158 50 40 DGGB Cc1ccc(SCC(=O)N/N=C/c2ccc(F)s2)cc1 252497230 QBXRXSGEAUFZLG-LZYBPNLTSA-N 308.403 3.438 50 40 DGGB BrC[C@@H](Br)Cc1ccc2c(c1)OCO2 1602873 OUMIAFCYDYHQRL-QMMMGPOBSA-N 321.996 3.116 50 40 DGGB CC[N+](CC)(CC)C[C@@H](Br)CBr 3172209 ZGQJKROTWVHLFW-VIFPVBQESA-N 302.074 3.021 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 5381635 ZWJSQPFRFDKOFR-BXRKRMDBSA-N 322.364 3.059 50 40 DGGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1cccc2ccccc12 6626387 DBLOMIOUWPLBMW-RGVLZGJSSA-N 306.369 3.250 50 40 DGGB COc1cccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)c1 67189819 WKPHGZRYTBAMKJ-DHDCSXOGSA-N 321.332 3.256 50 40 DGGB F[C@H](Br)C(F)(Br)Br 71790165 WEOPEGKLXDOKLY-SFOWXEAESA-N 302.738 3.090 50 40 DGGB C#CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408542749 NSKUDVYSKSAAMH-ATVHPVEESA-N 303.317 3.461 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/c2ccccc2Cl)c1 60192 ZNFBOKLNCUFTDX-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1 566260 SYQBNDBITKOPHA-VXLYETTFSA-N 316.788 3.486 50 40 DGGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@@H](c2ccccc2)N1C 1608136 IAMSSWVYFLLESU-SFHVURJKSA-N 317.392 3.414 50 40 DGGB CCC[C@@H](C(=O)NNC(=O)c1cc(C)oc1C)c1ccccc1 3538467 FMTQVUIBSJGEBK-OAHLLOKOSA-N 314.385 3.241 50 40 DGGB COc1cccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)c1 5381637 ONZVLLJDILZDAB-XYLSPAALSA-N 308.381 3.339 50 40 DGGB O=C(Cl)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 45958366 SNKQZBVLCRIERG-ZDUSSCGKSA-N 311.768 3.376 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 57395656 FEBYJCLMPBZXQZ-ZROIWOOFSA-N 307.309 3.449 50 40 DGGB COc1ccc(O)c(/C=N/NC(=O)c2ccc3ccccc3c2)c1 253571879 PMPZPZLGHVXNED-UDWIEESQSA-N 320.348 3.318 50 40 DGGB Cc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)o1 4735301 AVNQTJNBNUUQOC-CXUHLZMHSA-N 321.174 3.043 50 40 DGGB C/C(Cc1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1 17032269 QHOUCLNJUXLWJN-QGOAFFKASA-N 311.341 3.252 50 40 DGGB CCOc1ccc(NC(=O)[C@@H](Br)C(C)C)cc1 4031979 YSNUIYSGRLFLTI-LBPRGKRZSA-N 300.196 3.443 50 40 DGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1 100216258 VYPMNOXFJCTADC-ZFRQOODKSA-N 300.402 3.362 50 40 DGGB Cc1ccc2c(c1)N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@H]2C 260624776 USWOXWSNUYUXOW-CJNGLKHVSA-N 303.450 3.102 50 40 DGGB O=C(N/N=C/c1cccc(O)c1)c1cc2ccccc2cc1O 95617 IUGKNIKTXVGTBT-YBFXNURJSA-N 306.321 3.015 50 40 DGGB CCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccco2)cc1 2748901 YWXYHILXZIKGCB-YAJBTMAUSA-N 315.373 3.019 50 40 DGGB N#C/C(=C\c1ccc(O)c(Cl)c1)c1nnc2n1CCCCC2 96313701 ZIQFDDHTROALCV-XYOKQWHBSA-N 314.776 3.428 50 40 DGGB C[C@@H]1CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(Cl)cc21 223208240 GXWXJKFDXPTGNX-SNVBAGLBSA-N 309.841 3.201 50 40 DGGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(N)=O 408876994 SISWPXDKTANNLP-RIYZIHGNSA-N 314.747 3.462 50 40 DGGB N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(O)cc1 6527960 WOQXIRGXZKGTOR-YRNVUSSQSA-N 314.728 3.297 50 40 DGGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(C)cc2)c1 6685688 VACMCPCAVJAQGB-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1 5130861 HULXBRBPFPRRLH-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB COc1ccc(/C=N/NC(=O)c2cccnc2)c2ccccc12 87863 MYWAONHAIAEBPN-UDWIEESQSA-N 305.337 3.007 50 40 DGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2Cl)c1 580203 XHEPNLXNYOENNT-VXLYETTFSA-N 316.788 3.486 50 40 DGGB Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc23)s1 214494 PKWUMZYNVLZQQR-CQSZACIVSA-N 320.373 3.472 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1[N+](=O)[O-] 5942716 OMKDBEJHYNRROK-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC=C(C#N)C#N)C1 32585154 XAMJXLNUCGHYDY-OKILXGFUSA-N 308.385 3.148 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc3[nH]ccc23)cn1 61721038 DJABORIZHYYGML-UKTHLTGXSA-N 318.336 3.117 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107905605 WKQINNLAGRDHIH-NEPIVZGDSA-N 301.346 3.137 50 40 DGGB Cc1cc(F)ccc1C(=O)[C@H](Br)CBr 306949096 VBSTUAABRUWWCU-SECBINFHSA-N 323.987 3.475 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)o2)c(OCC)c1 583053 ZSBJGCJJILJARY-WOJGMQOQSA-N 316.357 3.149 50 40 DGGB COc1cc(C)ccc1NC(=O)[C@@H](Br)C(C)C 4031989 ZSIMIPWJMVPMHT-LBPRGKRZSA-N 300.196 3.362 50 40 DGGB Br[C@@H]1CC[C@H]2N=C(N/N=C/c3ccccc3)S[C@@H]12 5600549 DFGPUHCURMBYPL-HMNRFTFCSA-N 324.247 3.007 50 40 DGGB COc1ccc(P(c2ccccc2)c2ccc(OC)cc2)cc1 95677108 BJPHLVZNHDIUNY-UHFFFAOYSA-N 322.344 3.462 50 40 DGGB Cn1c(SCCCCl)nnc1-c1ccccc1[N+](=O)[O-] 228917245 AWVILBOUYHCSSA-UHFFFAOYSA-N 312.782 3.111 50 40 DGGB COc1cc(C=O)ccc1OC(=O)/C(C#N)=C/c1ccccc1 408754650 WXEDCQUTXZHMCK-OQLLNIDSSA-N 307.305 3.020 50 40 DGGB Cc1ccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1 52345 MVBPYMJZWFZUSG-KRWDZBQOSA-N 320.392 3.260 50 40 DGGB CN(CCN(CCCl)c1ccc(N)cc1)c1ccc(N)cc1 4633116 URSNGACYQXKPAM-UHFFFAOYSA-N 318.852 3.033 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)cc1 15219459 VAVSTHQAOACMHR-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB O=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 30822100 VGQPSRFVQSOMCO-IUXPMGMMSA-N 309.152 3.463 50 40 DGGB CCn1cc(/C=N/NC(=O)c2csc3ccccc23)c(C)n1 372763 KJLSMMXBTBWAAA-CAOOACKPSA-N 312.398 3.190 50 40 DGGB O=C(/C=C/c1ccccc1Cl)NNC(=O)C1CCCCC1 577875 HAVJMJIHEQGWFC-ZHACJKMWSA-N 306.793 3.081 50 40 DGGB CC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1O 4646841 ZGJOUBATFGLNQQ-XLYJWPIUSA-N 308.381 3.426 50 40 DGGB Cc1cc(OCC(=O)N/N=C/C=C/c2ccco2)ccc1Cl 5540378 KZUMCQQFPNXAOA-ZBXLFGCISA-N 318.760 3.436 50 40 DGGB CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CCl 79414949 MPPPTDORYNZRSE-JKSUJKDBSA-N 308.853 3.175 50 40 DGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl 2749979 QHOSGKQLPZACDJ-UHFFFAOYSA-N 322.660 3.376 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1O 100175453 NYPPCHMWUJVNKD-POXTWVIISA-N 316.401 3.067 50 40 DGGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 65999206 QVWXLJOXWYNXCX-QINSGFPZSA-N 320.323 3.383 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccc(C)cc32)cc1 39556009 VNRHOWYLQNKZEK-ICFOKQHNSA-N 317.348 3.171 50 40 DGGB Cc1cccc2c1N([C@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 260622292 SORKIPYBARMIAV-ZFWWWQNUSA-N 303.450 3.102 50 40 DGGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(C)[C@H]2Br 5423826 GAYCFDDDUIMMOM-UASFKTIASA-N 310.029 3.293 50 40 DGGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccncc1 131993 QBQDXZKSXSOXEE-HADWXUJASA-N 318.380 3.186 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2ccc(Br)o2)cc1 512084 UXIKASYLISDBIM-CXUHLZMHSA-N 321.174 3.043 50 40 DGGB COc1cccc(OC)c1C(=O)C(C#N)=C1Nc2ccccc2N1 6493036 RKWSVFWLUQWXBG-UHFFFAOYSA-N 321.336 3.159 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 28266564 GNULGXCFTQQFRE-MDWZMJQESA-N 323.308 3.149 50 40 DGGB Fc1cccc(I)c1CBr 95917621 RFRFLWHSLPODFE-UHFFFAOYSA-N 314.923 3.325 50 40 DGGB in-vitro C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 100099522 DCDNKSJBRIJYEC-XFFJFQIUSA-N 310.029 3.150 50 40 DGGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408805734 LDLBTSBRVOTGOS-GXDHUFHOSA-N 324.311 3.297 50 40 DGGB O=[P@]1(N(CCCl)CCCl)NCc2ccccc2O1 2032165 HYMVDIYYLNVACY-GOSISDBHSA-N 309.133 3.056 50 40 DGGB C[C@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CBr 4806255 DCDNKSJBRIJYEC-GTDKDYCYSA-N 310.029 3.150 50 40 DGGB COC(=O)c1ccc(C(Br)Br)cc1 4142007 ZFNOTEGYJUCJML-UHFFFAOYSA-N 307.969 3.262 50 40 DGGB CCc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 11582427 HCGWWRLUJARSOV-HNNXBMFYSA-N 310.397 3.475 50 40 DGGB CCCC[C@@H](CC)CNC(=O)NNC(=O)c1cc(C)oc1C 26178889 ZPGOLGPPIMSTPZ-CYBMUJFWSA-N 309.410 3.057 50 40 DGGB O=C(N/N=C(/N=C/c1ccco1)c1ccccc1)c1ccccc1 33744582 HSMQVJWAYLKYIH-CMSFVGQCSA-N 317.348 3.490 50 40 DGGB CC(C)c1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1 59472503 RNWFRRLPYXSUPQ-UHFFFAOYSA-N 320.396 3.266 50 40 DGGB C=CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409234069 YOSVLCJSXXQKOS-MOSHPQCFSA-N 312.344 3.083 50 40 DGGB CCCSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 1877161 GBOISGZXZFGHFO-GFCCVEGCSA-N 317.370 3.077 50 40 DGGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc2ccccc2c1 4910025 NUMMINVRMVSPEQ-ZHZULCJRSA-N 305.381 3.261 50 40 DGGB N#C/C(=C\n1ccc(=O)[nH]c1=S)c1nc2ccccc2s1 16958466 XWODPPIUXWOHKW-CMDGGOBGSA-N 312.379 3.037 50 40 DGGB COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 32670004 VLWAOTXQVDPGDX-XNTDXEJSSA-N 310.353 3.183 50 40 DGGB N#C/C(=C/c1cc(Cl)ccc1O)C(=O)NCc1ccccc1 59145642 HTZQCOHSMFNUQJ-ZSOIEALJSA-N 312.756 3.269 50 40 DGGB N#C/C(=C\c1cccc2[nH]ccc12)C(=O)Nc1cccc(O)c1 61717880 PXSXVFZSECRBRS-UKTHLTGXSA-N 303.321 3.419 50 40 DGGB CN(C)c1ccc(-c2nnc(SCCCCl)n2C)cc1 228929590 WUABOCJWJAYKLK-UHFFFAOYSA-N 310.854 3.269 50 40 DGGB O=C(N/N=C/C=C/c1ccco1)c1ccccc1Br 4735476 SXNUFMKVKDRLEU-KLKIZMIFSA-N 319.158 3.471 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2Cl)c(O)c1 7893918 LXGZXCVYHFVPOZ-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O 59133155 LDHIGDDIKWYLLD-RIYZIHGNSA-N 312.756 3.311 50 40 DGGB C=C(I)[C@H](C)CI 95831050 VOZYPLHSNKQLQD-SCSAIBSYSA-N 321.927 3.006 50 40 DGGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1O 408746938 IEACFOIANOZBAJ-PDGQHHTCSA-N 318.376 3.344 50 40 DGGB Cc1ccc(NC(=O)COc2ccc(C=C(C#N)C#N)cc2)cc1 409004563 AMKRJMOGBCDGSC-UHFFFAOYSA-N 317.348 3.443 50 40 DGGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccncc1 159125 JFXLXFTYJYSKPA-SFHVURJKSA-N 309.305 3.087 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(C)c1O 1476932 GVHVSXUUUQHTBV-YVLHZVERSA-N 306.365 3.232 50 40 DGGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1Cl 4151136 WTFVEGDLXWRJIU-HWQJWEFDSA-N 302.761 3.258 50 40 DGGB N#CC(C#N)=C(C(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 4293642 LNGXJLAJCNQUAR-UHFFFAOYSA-N 317.304 3.207 50 40 DGGB biogenic C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccs1 19816255 ZCNUWAHXHFHFBQ-ZDUSSCGKSA-N 318.423 3.103 50 40 DGGB O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CCl 77286997 MSNQYFAIUPNYQK-HNNXBMFYSA-N 318.800 3.481 50 40 DGGB in-vitro CCCCCC/C=N\NC(=O)C(=O)N/N=C\CCCCCC 104376258 PEEXFVRREBODPI-JTFWXBGUSA-N 310.442 3.131 50 40 DGGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 408812638 NGVGYTITEPHETJ-MBFWDRTGSA-N 301.390 3.092 50 40 DGGB CC(/C=C/c1cccc([N+](=O)[O-])c1)=N/NC(=O)c1ccc(C)nc1 4694169 NDJNEINMORKNCU-OSWYIVKVSA-N 324.340 3.117 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 408750019 WGMJQMDDSHBVMO-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB NNC(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226236161 QNLHHODPYJGBGE-UHFFFAOYSA-N 321.167 3.140 50 40 DGGB O=C(N/N=C/c1ccccc1O)c1ccc(Cl)c(Cl)c1 5678711 BTJGLTMWTWOYNG-CAOOACKPSA-N 309.152 3.463 50 40 DGGB C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1Cl 4498994 WTFVEGDLXWRJIU-OTWJJXBCSA-N 302.761 3.258 50 40 DGGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1O 100175451 NYPPCHMWUJVNKD-PDDJDMFCSA-N 316.401 3.067 50 40 DGGB COc1ccc2nc(C)c3c(c2c1)O[C@@H](CBr)C3 274906 LDEGAENBICTXDR-SNVBAGLBSA-N 308.175 3.250 50 40 DGGB biogenic CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1641897 NLYNIRQVMRLPIQ-WMNMLXQYSA-N 312.406 3.231 50 40 DGGB biogenic C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F 6209419 OUYXPIFIGABEEL-NTCAYCPXSA-N 320.323 3.383 50 40 DGGB O=C(CCCSc1ccccc1)NNC(=O)c1cccs1 6652107 FOKSUKRWCLEWGZ-UHFFFAOYSA-N 320.439 3.082 50 40 DGGB CN1C(=O)C(C#N)=C(S)N(c2ccccc2)[C@H]1c1ccccc1 538954 GTFWJQMPYBZTDA-INIZCTEOSA-N 321.405 3.329 50 40 DGGB COc1ccc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1 545974 JJSUQWYWPGRAIO-OAHLLOKOSA-N 309.369 3.327 50 40 DGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C)cc2)c1 8043397 WYXWJDLJSICOGS-DEDYPNTBSA-N 309.369 3.107 50 40 DGGB CSc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 257091 QETMMMFPVFPVMM-MHWRWJLKSA-N 315.354 3.081 50 40 DGGB O=C(N/N=C/c1cccc2ccccc12)c1ccc2c(c1)OCO2 264010 NTEXZEXQTZTLAD-RGVLZGJSSA-N 318.332 3.332 50 40 DGGB O=C(NNc1ccccc1OCc1ccccc1)C(F)(F)F 1726683 UXKPFOKQLAOMLE-UHFFFAOYSA-N 310.275 3.271 50 40 DGGB CN(C)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 35461204 GKQJNNSODNFXKR-UNOMPAQXSA-N 307.353 3.263 50 40 DGGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(F)cc1 53347288 PNPUDRAFDROQPI-GDNBJRDFSA-N 311.360 3.228 50 40 DGGB CCOc1cc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)ccc1O 1098689 CTTWBGWMEQRFHD-ZEQSIELKSA-N 324.380 3.263 50 40 DGGB O=C(CCCCl)Nc1cc([N+](=O)[O-])ccc1Br 1811414 FHMYLGGDWZPZBM-UHFFFAOYSA-N 321.558 3.315 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)c(OC)c1 17032430 NRZOJNBUWNJWQQ-XYOKQWHBSA-N 312.325 3.151 50 40 DGGB CC(C)[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223214368 CIPQTWMNABZRFJ-NHYWBVRUSA-N 323.868 3.447 50 40 DGGB O=C(N/N=C/c1ccc[nH]1)C(c1ccccc1)c1ccccc1 585581 OOYSEKODDAUWRV-KGENOOAVSA-N 303.365 3.297 50 40 DGGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1O 3073355 SJJZEXPPNDEEHF-UDWIEESQSA-N 320.348 3.318 50 40 DGGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)Cn3cnc4ccccc43)[C@H]1C2 24036307 XJEUMGMDWPDCAG-VIRAGPHVSA-N 322.412 3.131 50 40 DGGB C[C@@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CBr 100005466 DCDNKSJBRIJYEC-BKFJMODKSA-N 310.029 3.150 50 40 DGGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CC#N)c1C 408962205 XIDMBQGQMPJAGN-CIAFOILYSA-N 322.412 3.329 50 40 DGGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C)c2C)cc1 5571011 SFAAMUKPMFDGNW-GZTJUZNOSA-N 307.397 3.398 50 40 DGGB COc1ccccc1/C=C(\C#N)c1nc(O)c2ccccc2n1 3899760 LQFYNHSUEQNBTL-JLHYYAGUSA-N 303.321 3.408 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 6209974 FTBYMEJXJAINSJ-XNTDXEJSSA-N 306.321 3.239 50 40 DGGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 5071395 BSEVOARBROCQFZ-LDADJPATSA-N 300.362 3.121 50 40 DGGB CCOC(=O)c1ccc(C(=O)CCCCBr)o1 575361732 AQHGLSRFNYSBEZ-UHFFFAOYSA-N 303.152 3.204 50 40 DGGB CC1(C)CC(=O)C2=C(C1)O[C@H](c1cccs1)C(C#N)=C2N 4004767 OTTINCBGVMEZMP-HNNXBMFYSA-N 300.383 3.199 50 40 DGGB CCc1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)cc1 30843625 WYDOMBKIUBHWBP-NDENLUEZSA-N 310.397 3.395 50 40 DGGB CCOc1ccc(C(=O)N[C@H](Cl)C(=O)c2ccccc2)cc1 53944046 SDVRZNIMSFUEQG-INIZCTEOSA-N 317.772 3.263 50 40 DGGB O=C(NNc1ccc(F)c(F)c1F)c1nccc2ccccc12 58313787 OBLMGXHBSNMANE-UHFFFAOYSA-N 317.270 3.409 50 40 DGGB Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@H]3c1ccncc1 5337735 OIWVOWJYTDOMQT-INIZCTEOSA-N 314.348 3.156 50 40 DGGB COC/C(C#N)=C/c1cc(OC)c(Br)c(OC)c1 5997642 FZVLRBPIBXTWKY-ONNFQVAWSA-N 312.163 3.020 50 40 DGGB CCOC(=O)CSC1=C(C#N)[C@H](C)C2=C(O)CCCC2=N1 6138463 PWEJVTSMEIYSQL-VIFPVBQESA-N 306.387 3.105 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1C 7892323 VIWDRKAHQSPSLT-QGOAFFKASA-N 311.341 3.366 50 40 DGGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccn1 59473538 CHKSNZAYWQCJQT-HPAYWCODSA-N 319.817 3.366 50 40 DGGB BrCCOc1ccc(O[C@@H]2CCCCO2)cc1 952958952 HSNCOWSCMNYIQT-CYBMUJFWSA-N 301.180 3.366 50 40 DGGB CCN(CC)c1ccc(/C=N/NC(=O)C2CCCCC2)c(O)c1 369997 GWZNZPMLUCYKQH-CPNJWEJPSA-N 317.433 3.269 50 40 DGGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)O 566156 GFNQCEKHRMMXHX-FMIVXFBMSA-N 310.284 3.070 50 40 DGGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc2c1OCO2 6229848 LLQLMSWNSIBCPE-ACAGNQJTSA-N 324.292 3.396 50 40 DGGB Cc1ccc(C(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1 7141401 LDZYWJFLHQWOQO-UHFFFAOYSA-N 303.365 3.499 50 40 DGGB COc1ccc2[nH]c(C(=O)N/N=C(\C)c3ccccc3)cc2c1 9614561 CDACUJLAWNNVOC-UDWIEESQSA-N 307.353 3.331 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1C 11291772 BMNLEKRTDFQMQQ-QGOAFFKASA-N 320.392 3.270 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 13950239 NVUCZMWFJDFHNX-LICLKQGHSA-N 317.732 3.402 50 40 DGGB Cc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 59415526 VIVIGYFMUWQFBE-UHFFFAOYSA-N 321.424 3.377 50 40 DGGB COc1cccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 59433172 MWWAOGCOBOMQIG-YBFXNURJSA-N 307.353 3.249 50 40 DGGB BrC[C@H]1CC(c2ccc(Br)cc2)=NO1 217844871 XROJCYFOVGWWTL-SECBINFHSA-N 318.996 3.337 50 40 DGGB O=C(c1ccccc1F)[C@H](Br)CBr 306967243 PNXFXIRLEPHMAA-SSDOTTSWSA-N 309.960 3.167 50 40 DGGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 409143550 HCIBIPIQJGSICP-XSFVSMFZSA-N 324.380 3.115 50 40 DGGB COc1cccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c1 254404 CFLRIJNQUWVLOS-UDWIEESQSA-N 319.364 3.316 50 40 DGGB CCC(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 13631747 YQXPBESMHAEGBA-KEAYEENMSA-N 321.380 3.464 50 40 DGGB CCCCOc1ccc(C(=O)N/N=C(\C)c2ccccn2)cc1 17032303 PUDAODSJSXEQFR-XSFVSMFZSA-N 311.385 3.415 50 40 DGGB C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1 34779852 XLCAWNZOADMTEA-AQTBWJFISA-N 311.341 3.366 50 40 DGGB COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 59473076 WZTBOKZUJNJYKA-QGOAFFKASA-N 314.410 3.328 50 40 DGGB F[C@@H](Br)C(F)(Br)Br 71790164 WEOPEGKLXDOKLY-PVQJCKRUSA-N 302.738 3.090 50 40 DGGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1O 408570466 VMCMILKWROXCOA-WDZFZDKYSA-N 309.300 3.480 50 40 DGGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl 408800813 REOWFPVUBWENEZ-HAAVITCDSA-N 322.792 3.179 50 40 DGGB O=C(Cc1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 39197 NUHLXXMLTZAJIC-RGVLZGJSSA-N 306.287 3.398 50 40 DGGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cccc(Cl)c1 241625 XIBDOBGSSQABBH-VXLYETTFSA-N 314.776 3.111 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)COc2ccccc2C)cc1 354443 XUSWSCKRZSOBJL-HMMYKYKNSA-N 310.397 3.477 50 40 DGGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Cl)c1O 562593 JFZZOOSBLOQPFI-LZYBPNLTSA-N 324.789 3.270 50 40 DGGB COc1cccc2cc(C(=O)N/N=C/c3cccc(F)c3)oc12 564334 LMJOBVKUAXFXHN-VXLYETTFSA-N 312.300 3.344 50 40 DGGB CCOC(=O)N/N=C\c1ccc(OC(=O)c2cccs2)cc1 30774301 CLQBRWJCQJRQSO-YBEGLDIGSA-N 318.354 3.047 50 40 DGGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(N)=O 59133154 TVSQQHCDUVKFBF-NTEUORMPSA-N 312.756 3.311 50 40 DGGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccc(CN(C)C)o2)C1 83817256 HFWLHHDYINEACA-DZTQIWHNSA-N 315.417 3.359 50 40 DGGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccc2c(c1)OCO2 103387787 SSNGMFPCJJFKAS-RELIOFMUSA-N 312.369 3.123 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1O 408747015 XWVQBWWQBMVXNF-GXDHUFHOSA-N 308.337 3.255 50 40 DGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CCc2ccccc2)cc1 409118955 VJPYRQFHUSMTLS-KGENOOAVSA-N 323.396 3.118 50 40 DGGB CCc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 409361216 AYIMENNBYFLQID-XSFVSMFZSA-N 310.397 3.341 50 40 DGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[C@@]12C=C[C@@H](CC1)C2 406829 YFOKAEBVDIPRDR-UTLVKMTRSA-N 310.397 3.326 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)c([N+](=O)[O-])c1 4340111 KZLHCSYLPJGHAH-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB N#CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(F)c1 8752316 NZPJNGJZLVICLG-MNOVXSKESA-N 320.345 3.004 50 40 DGGB C/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1 15938766 SOEIVMTYHGTCMT-CPNJWEJPSA-N 316.788 3.454 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2cccs2)cc1OCC 59418992 FPEDJXONJMTROD-GZTJUZNOSA-N 318.398 3.309 50 40 DGGB CC(=O)O[C@H](C)[C@@]12CC[C@H](C=C1C#N)CN2Cc1ccccc1 104097352 AUYUQMTWUXZUJU-BJZITVGISA-N 310.397 3.053 50 40 DGGB COc1ccc(C(=O)NN)cc1CSc1ccc(Cl)cc1 224344090 MJZVJWSBEUBYKD-UHFFFAOYSA-N 322.817 3.244 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cccc(O)c1 408961604 SXCRXJPJJZIZNW-MOSHPQCFSA-N 323.396 3.065 50 40 DGGB CCOc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1 409265524 SZHPPTIFIQBHSS-LFIBNONCSA-N 324.471 3.122 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccc(C#N)cc2)c2ccccc2n1 3346702 HDMDYWCCNYCJOS-CIAFOILYSA-N 314.348 3.179 50 40 DGGB O=C(N/N=C/c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 6241274 VLZWNONIOPPJLS-VGOFMYFVSA-N 309.734 3.074 50 40 DGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1O 12463092 HXWWHJVPBXBLCF-ZROIWOOFSA-N 308.337 3.255 50 40 DGGB CCc1sc(C(=O)N/N=C(\C)c2cccc(O)c2)cc1C 46589137 QZOMWOWAUOZQET-GZTJUZNOSA-N 302.399 3.479 50 40 DGGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 57787724 YSWUCDFGKXLJPK-UFFVCSGVSA-N 317.270 3.341 50 40 DGGB CC1(C)CC(=O)[C@H](C(=O)/C=C/c2ccccc2)C(=O)[C@H]1Cl 104832576 KPBJIZJJLHQZMY-FNHJVCLDSA-N 304.773 3.061 50 40 DGGB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCl)[C@@H]3CCC1 104687 GFAMGQKPRPMKPF-OAHLLOKOSA-N 302.805 3.408 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)o1 342945 FIFAOITZIJYLIB-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB O=C(CCc1ccccc1)NNC(=O)c1cccc2ccccc12 378953 MVYYZHOEXSGPRA-UHFFFAOYSA-N 318.376 3.234 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2ccccc2F)C1(C#N)C#N 4786289 FFQVUWCEKUMYEK-SJKOYZFVSA-N 318.355 3.419 50 40 DGGB CCOC(=O)/C(C#N)=C/Nc1cccc(OC2CCCC2)c1 28194451 MVZZQKLURFPKKE-OUKQBFOZSA-N 300.358 3.390 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccccn1 409241708 TWZGWKRWDBRGIV-FYJGNVAPSA-N 318.380 3.253 50 40 DGGB N#CC1=C(N)C2=CCCC[C@H]2[C@@H](c2ccc(F)cc2)C1(C#N)C#N 5818998 DQGOIWLWWGQISA-RHSMWYFYSA-N 318.355 3.419 50 40 DGGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 408884709 YZPYTBFSHLUDLA-XDHOZWIPSA-N 312.369 3.003 50 40 DGGB Cc1ccc(C(=O)[C@@H](Br)CBr)cc1F 306908874 GWNIFMXPNQLWAS-QMMMGPOBSA-N 323.987 3.475 50 40 DGGB CCOc1ccc(/C=N\NC(=O)c2cccs2)c(OCC)c1 12648988 WDORCKWLKSWXDK-BOPFTXTBSA-N 318.398 3.309 50 40 DGGB N#CC(C#N)=Cc1ccc(-c2ccc(N3CCOCC3)s2)o1 16430413 ZWVRDHQBWDPYJY-UHFFFAOYSA-N 311.366 3.275 50 40 DGGB CCCCCC(=O)OC[C@H](Br)CBr 1676061 MHCMWLLEMJCJCZ-MRVPVSSYSA-N 316.033 3.268 50 40 DGGB CCCOc1ccc(/C=N/NC(=O)NC2CCCCC2)c(O)c1 3222281 SFQWBVGIOXXDCU-LDADJPATSA-N 319.405 3.147 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)cc1 135137 UXLOQSCQCPBJMY-RGVLZGJSSA-N 321.380 3.016 50 40 DGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1csc2ccccc12 372752 VSBCCXSSMIMJBO-QGMBQPNBSA-N 324.361 3.394 50 40 DGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1F 3023287 LFJXKWKKXPEDJR-GIJQJNRQSA-N 306.724 3.008 50 40 DGGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(N(C)C)cc1 3097520 BLGHLTJPSZRHSD-XSFVSMFZSA-N 323.396 3.081 50 40 DGGB C/C(=N\NC(=O)CNc1ccccc1)c1ccc(Cl)cc1 4711387 VYJPNGFDIYYGQJ-XDHOZWIPSA-N 301.777 3.292 50 40 DGGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@@H](O)c1ccccc1 4957518 RXKNNFMGBFFSNS-UGAVLODXSA-N 320.392 3.482 50 40 DGGB C=CCOC(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1 15352608 ZWVOHYMUNQZGJL-MDWZMJQESA-N 300.314 3.354 50 40 DGGB Cc1c(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)oc2ccccc12 33307914 UTNSXCSJNBDBKQ-ZDLGFXPLSA-N 323.308 3.413 50 40 DGGB CC(=O)N/N=C/c1cc(C)n(-c2sc(C)c(C)c2C#N)c1C 409017024 UWXCYKQVDURSDV-QGMBQPNBSA-N 314.414 3.114 50 40 DGGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1Cl 568812 AWQZUMHUJNEYHR-UHFFFAOYSA-N 323.179 3.377 50 40 DGGB Cc1ccc(SCCC(=O)N/N=C/c2ccccc2O)cc1 3314919 AYCVWNVESASMCJ-LDADJPATSA-N 314.410 3.333 50 40 DGGB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CCl 3886331 JODIIXWJOSLNFW-UHFFFAOYSA-N 303.811 3.301 50 40 DGGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(C)cc1 4676431 XSMYZZJGRYBGFJ-HKWRFOASSA-N 305.381 3.490 50 40 DGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/CCSC2)c1 97991631 QPFKIJOASHLMRI-LGMDPLHJSA-N 306.431 3.106 50 40 DGGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccsc1 13151293 YHPJKTUMOAUHDT-ZDUSSCGKSA-N 320.377 3.356 50 40 DGGB O=C(N/N=C/c1ccc(F)c(Br)c1)c1ccccc1 5772691 IYTVFASKYQXAJZ-RQZCQDPDSA-N 321.149 3.352 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1 6404554 NUIHVSMPKLBMCN-ZROIWOOFSA-N 307.309 3.449 50 40 DGGB CC(C)(C)OC(=O)N/N=C/c1ccc(Br)cc1F 32911420 UWPLZOFFMZJGKF-VIZOYTHASA-N 317.158 3.447 50 40 DGGB in-vitro O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2C[C@H](O)CCl 502148 YVSQQIJLXCNKOO-LLVKDONJSA-N 304.733 3.302 50 40 DGGB CC(/C=C/c1ccccc1)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 408737019 GVEOGLQUTOQKCX-YUNVLCFVSA-N 323.352 3.343 50 40 DGGB C/C(CCc1ccccc1)=N\NC(=O)c1nc2ccccn2c1C 4864944 REOHCCVUGLZDGC-KGENOOAVSA-N 320.396 3.381 50 40 DGGB CC/C(Cc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(C)cc1 5414288 VUCKABYJPPGDAQ-PGMHBOJBSA-N 323.396 3.058 50 40 DGGB N#CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 8101424 QLDGWEAYDZTVSL-YBFXNURJSA-N 313.744 3.006 50 40 DGGB COc1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1 429762 NTDHTZBTBCEXSP-UHFFFAOYSA-N 317.345 3.201 50 40 DGGB CCc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 2790405 QGVUYGVATRPCOH-CXUHLZMHSA-N 321.174 3.368 50 40 DGGB COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Cl 408768655 ZSMYBBSIQCSGKB-WMZJFQQLSA-N 313.184 3.434 50 40 DGGB COc1ccc(OC)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1 408542727 NPDGLCXSCCNPOK-DHDCSXOGSA-N 309.321 3.466 50 40 DGGB CCOc1ccc(N[C@@H](C)C(=O)NN=C2CCCCC2)cc1 369991 OMMZXGGQVCAWDQ-ZDUSSCGKSA-N 303.406 3.322 50 40 DGGB O=C(N/N=C/c1cccc(O)c1)c1ccc(Cl)cc1Cl 485374 UJRGIXYRVPYYIC-CAOOACKPSA-N 309.152 3.463 50 40 DGGB CCn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 561511 SJVKIAOMQQALKA-YBFXNURJSA-N 307.353 3.131 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)s1 5618533 SRQRKMWFYSEHSI-XNTDXEJSSA-N 303.343 3.119 50 40 DGGB CCOC(=O)c1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1 20132100 FMIPXQUGQFTZBK-SSDOTTSWSA-N 312.778 3.039 50 40 DGGB O=S1(=O)Cc2ccccc2[C@@H](Br)c2ccccc21 346898 UWVLVNIKYVEABC-CQSZACIVSA-N 323.211 3.458 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c(Cl)c1 535205 XWDPVNUEVYNCNT-VIZOYTHASA-N 323.761 3.382 50 40 DGGB COC1CCC(/C(C#N)=C/[C@H]2CC[C@H](OC)[C@H](OC)C2)CC1 6385320 LDKOSUQNGUYOSJ-INGFCUNSSA-N 307.434 3.472 50 40 DGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CC=CCC1 14595746 JOFXWAKGUAFMTI-DZPQGLOJSA-N 316.445 3.097 50 40 DGGB COc1ccc(Cl)c(/C=N/NC(=O)c2ccco2)c1Cl 255188761 LLFXIPPDBSUGIM-FRKPEAEDSA-N 313.140 3.359 50 40 DGGB CC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260625073 YUEAHKUZZHPVEA-UKRRQHHQSA-N 303.450 3.164 50 40 DGGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccs1 4587394 YLRFDGQWAYTJIO-MHWRWJLKSA-N 308.790 3.321 50 40 DGGB C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccccc1 14093863 PYZRFAULMKBKJJ-LBPRGKRZSA-N 316.788 3.295 50 40 DGGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCCC1 16035771 QUJMNOZAXGVVMF-NTCAYCPXSA-N 306.365 3.378 50 40 DGGB C/C(N)=C(\C#N)c1csc(-c2cccc(NC(=O)C3CC3)c2)n1 22195043 TVJFAGFIVQFTFP-UVTDQMKNSA-N 324.409 3.372 50 40 DGGB CCN(CC)c1ccc(/C=N\NC(=O)Cc2cccs2)cc1 31841418 BAACYPRKJXEXEE-AQTBWJFISA-N 315.442 3.287 50 40 DGGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccco1 5128298 XZKSQVDGHGFCRH-DEDYPNTBSA-N 307.353 3.385 50 40 DGGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1cccnc1 5494576 DTIRTQYAWFITHY-KGENOOAVSA-N 319.364 3.154 50 40 DGGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C)c1O 7931736 DIDKYCLUALETNF-GIJQJNRQSA-N 302.761 3.426 50 40 DGGB N#C/C(=C\c1ccc(O)cc1)c1nc2cc(Cl)ccc2c(=O)[nH]1 25583114 HEFRAAOWVMVLGM-YRNVUSSQSA-N 323.739 3.346 50 40 DGGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccnc2)c1C 408776528 PLNRZWDCGNHPOZ-BOPFTXTBSA-N 322.412 3.265 50 40 DGGB Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 45703 CJFHGUHLIHPHEN-QGMBQPNBSA-N 308.168 3.340 50 40 DGGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)n2)cc1 1803208 NIRANPKXZDWLFM-RVDMUPIBSA-N 307.353 3.334 50 40 DGGB O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1ccccc1Br 4646979 ULIQFSGKYRMOLZ-UUAQCMHYSA-N 307.191 3.355 50 40 DGGB COc1ccc(C/C(C)=N/NC(=O)c2cc(C)oc2C)cc1 7238977 BVPVZQHCZHNGFL-WOJGMQOQSA-N 300.358 3.253 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1C 409178336 MJBZETPZGUUBBD-CIAFOILYSA-N 305.381 3.478 50 40 DGGB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@@H](C(=O)NN)C(C)C 223214197 XQQNAORGKSIODG-CZUORRHYSA-N 303.450 3.102 50 40 DGGB CCOc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 148191 KFKMIXQEQSTPGZ-UHFFFAOYSA-N 318.332 3.354 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccco1 573129 NERJMDZAZVDJFT-WOJGMQOQSA-N 313.744 3.488 50 40 DGGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)O 23718581 ROEUUUNILYMMMB-IZZDOVSWSA-N 319.723 3.024 50 40 DGGB COc1cc(/C=N/NC(C)=O)ccc1O[C@H](C)c1ccccc1 4510677 PVYYHYDQEYFBMP-KZKLBEMASA-N 312.369 3.305 50 40 DGGB COc1ccccc1/C=N\NC(=O)c1cc2ccccc2cc1O 15776801 CGKWNQONZWPJGY-NDENLUEZSA-N 320.348 3.318 50 40 DGGB O=C(N[C@H](c1ccccc1)[C@H](O)c1ccccc1)C(Cl)Cl 1665680 JLWGYRMOTWHVRD-ZIAGYGMSSA-N 324.207 3.381 50 40 DGGB Cc1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)c(C)c1 20194524 WFLDLGCYHUTNQP-CIAFOILYSA-N 305.381 3.478 50 40 DGGB O[C@@H](Br)[C@H]1[C@H](c2ccccc2)N1C1CCCCC1 5105137 BYWSKVCDDGAREW-HGJUEJOTSA-N 310.235 3.458 50 40 DGGB O=C(NCCCBr)Nc1cccc2c1CCCC2 5160527 CAOLIFMNOYZOGB-UHFFFAOYSA-N 311.223 3.472 50 40 DGGB C[C@H]1C/C(=N/NC(=O)c2ccccc2)Nc2ccccc2N1C 268940 DOLWATWJUVANPI-ZDUSSCGKSA-N 308.385 3.070 50 40 DGGB COc1cc(C=C(C#N)C#N)ccc1Oc1ccc([N+](=O)[O-])cn1 563718 AZMZNWIPFBRPGU-UHFFFAOYSA-N 322.280 3.221 50 40 DGGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(C)cc1 409017444 WPZITAKIHKQINJ-YBFXNURJSA-N 312.369 3.053 50 40 DGGB Cc1cc(C(=O)N/N=C/c2cccc(O)c2)c2ccccc2n1 262983 ADDLNEFIWHJVPZ-YBFXNURJSA-N 305.337 3.013 50 40 DGGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC#N)c1C 59140818 GLYWCIFDJWNNMH-UDWIEESQSA-N 308.385 3.020 50 40 DGGB N#C/C(=C/c1cccc(OCC(=O)O)c1)c1nc2ccccc2o1 409067995 SCBSGTQKIUOABJ-JYRVWZFOSA-N 320.304 3.355 50 40 DGGB Cc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1C 8182718 HNSNOPSCUPWOIP-XCHVBMRISA-N 308.381 3.498 50 40 DGGB COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1OC 19774681 WFPDSFQYYGWIEU-GOSISDBHSA-N 324.380 3.195 50 40 DGGB Cc1cccc(C(=O)N/N=C\c2ccc(Br)o2)c1 96836426 BCUITIRMZAAYHX-NVNXTCNLSA-N 307.147 3.114 50 40 DGGB CCOC(=O)N/N=C\c1c[nH]c2ccc(Br)cc12 104106239 HRBNCPXLICKZFA-CHHVJCJISA-N 310.151 3.010 50 40 DGGB CC(C)C(/C=C\c1ccc(Br)cc1)=N/NC(N)=O 17219133 DGUKFSCIZOPNRJ-WGOJAJPESA-N 310.195 3.143 50 40 DGGB Cc1c(Cl)cccc1NC(=O)CI 72226296 ANAPAJJGOOYZCI-UHFFFAOYSA-N 309.534 3.022 50 40 DGGB O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Br)o1 101087789 PUEFWQHWNZYJCA-WVOVOJCESA-N 311.179 3.194 50 40 DGGB COc1ccccc1C(=O)N/N=C\c1ccc(N2CCCC2)cc1 408859419 XEXSKMOYBAEJRO-ZHZULCJRSA-N 323.396 3.059 50 40 DGGB CC/C(Cc1ccccc1)=N\NC(=O)COc1ccccc1C 408947531 AZAGWCOCBLUKKS-LVZFUZTISA-N 310.397 3.499 50 40 DGGB CCO[Si](CCCCO[C@H]1CCCCO1)(OCC)OCC 575182204 HAQMEFTWXPGHSE-HNNXBMFYSA-N 320.502 3.358 50 40 DGGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccccc1)Nc1ccccc12 493845 LCOPTZDEIKPGIY-QGZVFWFLSA-N 311.348 3.145 50 40 DGGB CCOc1ccc([N+](=O)[O-])cc1CN(CCCl)CCCl 1634259 IBTZOEPXBLMHQF-UHFFFAOYSA-N 321.204 3.273 50 40 DGGB O=C(N/N=C/c1ccc(Cl)cc1)c1cnc2ccccc2n1 2801537 KTEDCPODBBDKNE-DJKKODMXSA-N 310.744 3.047 50 40 DGGB C=CCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1 3661173 RCNULWQFMOXYAC-XSFVSMFZSA-N 308.381 3.253 50 40 DGGB O=C(N/N=C/c1ccncc1)C(c1ccccc1)c1ccccc1 59459629 BNXZLDBAYAZKBT-PXLXIMEGSA-N 315.376 3.364 50 40 DGGB CCOC(=O)c1sc(NC(=O)CCl)nc1-c1ccccc1 71789066 SPKXBULYVTZYLZ-UHFFFAOYSA-N 324.789 3.164 50 40 DGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(C)o3)cc2c1 409186947 KAFVIUDOXGLJAJ-ZDLGFXPLSA-N 312.325 3.497 50 40 DGGB CC/C(=N/NC(=O)c1cc(O)ccc1O)c1cc(C)ccc1C 17032453 COJNJTLTCVIGHB-MNDPQUGUSA-N 312.369 3.259 50 40 DGGB COc1ccc(C(=O)CCCCBr)c(OC)c1 575358411 SRHOSUAWXQTNMU-UHFFFAOYSA-N 301.180 3.452 50 40 DGGB Cc1ccccc1OCC(=O)N/N=C/c1ccccc1Cl 50491 HVINVORDSLZJJX-VCHYOVAHSA-N 302.761 3.178 50 40 DGGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccsc1 372950 MXJCRXHWVVXHPF-LYQMGENXSA-N 308.790 3.319 50 40 DGGB CC(C)(C)n1nc(C(=O)NNc2ccc(F)cc2)cc1C1CC1 51320307 LIGWWYQVYLSDMK-UHFFFAOYSA-N 316.380 3.412 50 40 DGGB CC(C)=C[C@H]1[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C 53754611 WFHCBPAIAYBUPW-FZMZJTMJSA-N 303.362 3.276 50 40 DGGB Cc1ccc(C2=C(C#N)[C@H](N)n3c(nc4ccccc43)N2)cc1 226760189 JXBXPXMTILATGB-QGZVFWFLSA-N 301.353 3.162 50 40 DGGB COc1cccc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1 547652 VPYUBIJVCMHBKG-HNNXBMFYSA-N 309.369 3.327 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1 5618016 XLCAWNZOADMTEA-QGOAFFKASA-N 311.341 3.366 50 40 DGGB C=CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 6945384 AZBIYWPKYNZNPA-GDNBJRDFSA-N 314.385 3.082 50 40 DGGB Cc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)o1 18210728 GQFCGVPMPZJIDB-GIJQJNRQSA-N 300.358 3.042 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccccc1 38164479 VEXACTWYZPMMHL-HKWRFOASSA-N 307.397 3.441 50 40 DGGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 3149947 BBPWLXKPDLXRSO-NNIWKIFQSA-N 310.397 3.168 50 40 DGGB Cc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 7893766 MZSKURANMKRKBB-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB CCCCCCCCNC(=S)NNC(=O)c1ccc(C)cc1 100980444 YPRJOBYUFFRWBK-UHFFFAOYSA-N 321.490 3.464 50 40 DGGB Clc1ccc(OCCOCCOCCBr)cc1 255188481 KCXMWFRERMCICZ-UHFFFAOYSA-N 323.614 3.147 50 40 DGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2sccc2C)c1 3476953 VQXPBWYJDAXGBV-RQZCQDPDSA-N 302.399 3.202 50 40 DGGB N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccc(C(=O)O)cc1 408543696 SDXIHFSNBGWRSV-DHDCSXOGSA-N 307.305 3.220 50 40 DGGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 409075219 PVNHDSGRUGTYJL-RJXLRZCOSA-N 309.325 3.067 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2cccc(C)c2)cc1OC 5619365 UBILSDLPHDSETE-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2Cl)c1 1754181 NHWQTKLOFMOKFN-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB CSc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 33042 DMEJXBMSWCHQFV-OAHLLOKOSA-N 300.383 3.079 50 40 DGGB CCOC(=O)/C(C#N)=C\Nc1ccccc1C(=O)c1ccccc1 12062400 KRLMHVVDVSNSNY-SQFISAMPSA-N 320.348 3.300 50 40 DGGB COc1ccccc1/C=N/NC(=O)c1ccc(C)cc1Cl 13842659 FZUJCELOFWLMSZ-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB CC(C)C(=O)N/N=C(/CC(=O)c1cccs1)C(F)(F)F 5481664 ZNVDTWGUWMCFOM-YBEGLDIGSA-N 306.309 3.011 50 40 DGGB CC(C)=NNC(=O)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 5493215 KOUOSWFTOSBUAV-SFHVURJKSA-N 321.424 3.362 50 40 DGGB C[C@]1(CBr)[C@H]2CC(=O)[C@@]1(C)[C@H](Br)C2 245204316 SPFMPLHTTYXRFI-GTDKDYCYSA-N 310.029 3.150 50 40 DGGB CC1=C/C(=N\NC(=O)Cn2cnc3ccccc32)CC(C)(C)C1 33042800 IFLCZHRBUOIBKH-XSFVSMFZSA-N 310.401 3.275 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 434695 LQTSPHXSWQDRHM-UKTHLTGXSA-N 323.308 3.149 50 40 DGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1 262629 QLQQROAIGXCCJP-RIYZIHGNSA-N 306.321 3.269 50 40 DGGB CO[C@@H](C(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1 3153313 IZOXLDVIDVWERR-CLXYIWAZSA-N 302.761 3.178 50 40 DGGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(F)cc2)cc1 5475348 IBTIAQJARFMJRA-XDHOZWIPSA-N 300.333 3.378 50 40 DGGB COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cn1 61720795 VSIPQPADDWIVFG-XYOKQWHBSA-N 318.336 3.117 50 40 DGGB O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)C1CC1 34896928 QKAULQAJBNNKTI-HWLQVLAGSA-N 306.365 3.441 50 40 DGGB N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCCCC1 3247876 YRQQMLGFOUWOMB-UKTHLTGXSA-N 319.202 3.369 50 40 DGGB COc1cc(/C=C(/C#N)c2nc(C)cs2)cc(OC)c1O 6925362 PUYGNLHFXZQUPM-WCIBSUBMSA-N 302.355 3.239 50 40 DGGB Cc1c(C(=O)CI)c2ccccc2n1C 85397296 IXJNBETUJRTIGM-UHFFFAOYSA-N 313.138 3.104 50 40 DGGB Cc1ccc(C2=C(C#N)[C@@H](N)n3c(nc4ccccc43)N2)cc1 226760182 JXBXPXMTILATGB-KRWDZBQOSA-N 301.353 3.162 50 40 DGGB COc1ccc(CCCC(=O)N/N=C/c2cccs2)cc1 237577 NTGPPPZDXSZYGV-SFQUDFHCSA-N 302.399 3.230 50 40 DGGB CC(C)(C)OC(=O)NNC(=S)Nc1ccc(Cl)cc1 6186798 IFOUATYHQWEDRC-UHFFFAOYSA-N 301.799 3.066 50 40 DGGB N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccco1 5769653 FMPBIGUCHMEGBV-SOFGYWHQSA-N 307.103 3.181 50 40 DGGB COc1cc(/C=C(\C#N)c2ccccn2)c([N+](=O)[O-])cc1OC 6209277 DAJGJUALHFIUTA-KPKJPENVSA-N 311.297 3.071 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccn2)cc1 95929092 NSNVRQJRLCMYKS-RVDMUPIBSA-N 308.337 3.131 50 40 DGGB COc1cccc(Br)c1C(=O)CBr 97437856 SYWXPQRZXRXSSN-UHFFFAOYSA-N 307.969 3.035 50 40 DGGB CO[C@@H](C(=O)N/N=C1\CCCC[C@@H]1CCC#N)c1ccccc1 408720128 TUCLPKWMZZRLEK-LOYNYXHRSA-N 313.401 3.340 50 40 DGGB O=C(N/N=C\c1ccsc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904976 RJBIYKFEEIRUAX-CHHVJCJISA-N 315.310 3.166 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 260547 JMKKLMIOCVZNRH-WOJGMQOQSA-N 301.777 3.170 50 40 DGGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cccnc1 59250044 PDAVQYMAHJKHNZ-UDWIEESQSA-N 324.771 3.290 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)c1 103313402 SJRYXBTVTUPNSS-SAHHGKCQSA-N 312.413 3.468 50 40 DGGB N#C/C(=C\c1ccc(-c2ccccc2)o1)c1n[nH]c(N)c1C#N 4993233 DUDXJAASMXZEER-XYOKQWHBSA-N 301.309 3.188 50 40 DGGB CCOC(=O)/C(C)=N/NC(=O)c1ccc(-c2ccccc2)cc1 59489092 RPVQEXNMVFZKOO-CPNJWEJPSA-N 310.353 3.022 50 40 DGGB C/C(=N\OCC(=O)N/N=C(\C)c1cccs1)c1ccccc1 5447133 OYIYBNFFFYVXFV-GXRULTAZSA-N 315.398 3.029 50 40 DGGB COc1ccc(/C=C(\C#N)C(N)=O)c(Cc2cc(C)cc(C)c2)c1 408881409 JHLNRIBSIXUNDP-VCHYOVAHSA-N 320.392 3.295 50 40 DGGB CC(C)C(/C=C\c1ccc(Br)cc1)=N\NC(N)=O 17219131 DGUKFSCIZOPNRJ-ONXZWOSQSA-N 310.195 3.143 50 40 DGGB Cc1cc(OCC(=O)N/N=C/c2ccccc2)cc(C)c1Cl 504713 LPTRKAQLAFWTDK-VXLYETTFSA-N 316.788 3.486 50 40 DGGB CCc1ccc(NC(=O)NNC(=O)CCc2ccccc2)cc1 15934258 FYKSAWLPVNCWEE-UHFFFAOYSA-N 311.385 3.035 50 40 DGGB CC(/C=N\NC(=O)COc1ccccc1C#N)=C\c1ccccc1 36026121 GBCYBSGVGDNNNL-XSDVQHGUSA-N 319.364 3.143 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 408587466 GEAKTPSSNQERRR-DEDYPNTBSA-N 324.380 3.061 50 40 DGGB N#C/C(=C\c1cccc(O)c1)C(=O)NCc1ccc(Cl)cc1 3267336 YDZDMUKXMRWHHT-RIYZIHGNSA-N 312.756 3.269 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1 4559488 OCFLCCQMSVUSNU-XDHOZWIPSA-N 316.788 3.432 50 40 DGGB CC[C@H](C)c1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1 8733021 UOQROBOSBGUCQJ-NWDGAFQWSA-N 310.825 3.272 50 40 DGGB N#CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408846290 JGIGPGHKCYWFOA-NDENLUEZSA-N 319.320 3.099 50 40 DGGB COc1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(C)cc2)cc1O 482126 GWKXZOVZVZIXMO-HOTGVXAUSA-N 317.772 3.405 50 40 DGGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 5370477 VTTNWCVPASXSMJ-MBNTZHJCSA-N 302.374 3.457 50 40 DGGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 5879952 CTZCUUFZQRFZFK-XSFVSMFZSA-N 319.364 3.250 50 40 DGGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC1CC1 7164138 YSAJUJOGSGNGEC-SDNWHVSQSA-N 306.365 3.424 50 40 DGGB COc1ccc(C(=O)CCCCBr)cc1OC 145018461 SPMMLIBJDHHTEK-UHFFFAOYSA-N 301.180 3.452 50 40 DGGB C#CCOc1cccc(/C=N\NC(=O)Cc2ccc(C)cc2C)c1 216047209 HFFLESGNVREEIF-STZFKDTASA-N 320.392 3.008 50 40 DGGB Cn1c(SCCCCl)nnc1-c1cccc(F)c1F 228977034 REZMHNSELLCVPG-UHFFFAOYSA-N 303.765 3.481 50 40 DGGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1ccc(O)cc1 408889280 BZYIPWLGLXQHCU-YRNVUSSQSA-N 314.728 3.297 50 40 DGGB O=C(O)c1ccc(CNC(=O)c2ccc(CCl)cc2)cc1 1857775578 LTACGWRODQYXMQ-UHFFFAOYSA-N 303.745 3.054 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1O 3247394 XVGMPGFXALRMAL-RKPNYOAGSA-N 322.364 3.185 50 40 DGGB O=C(CCBr)Nc1ccc(Cc2ccncc2)cc1 4992590 AJVXTGSVWABGFN-UHFFFAOYSA-N 319.202 3.396 50 40 DGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccn1C 17053567 FNZVETPZZIBUBO-DHZHZOJOSA-N 315.760 3.233 50 40 DGGB C/C(CC(=O)NC1CCCCCCCCCCC1)=N\NC=O 101886971 IDOLDPGUEUGNGL-HMMYKYKNSA-N 309.454 3.288 50 40 DGGB CC1=C/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 6566096 WSVBTSXBBYLCBZ-GHRIWEEISA-N 301.346 3.447 50 40 DGGB NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 226332640 CRCSMVNGYFRHDK-FPYGCLRLSA-N 320.751 3.061 50 40 DGGB N#CC1=C(NC(=O)CCl)c2ccccc2CC12CCCC2 28128 WUVBGWREWHFXMG-UHFFFAOYSA-N 300.789 3.393 50 40 DGGB CCCC(CCC)=NNC(=O)c1cc(OC)c(OC)c(OC)c1 4979594 NHCLKKAMSVBEJL-UHFFFAOYSA-N 322.405 3.398 50 40 DGGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@H]2c1ccccc1OCC 12411469 KLPYUBNKCBGCMH-OAHLLOKOSA-N 324.384 3.277 50 40 DGGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)cc1 252491916 LZNFKOYYLWCZSH-FMIVXFBMSA-N 311.297 3.296 50 40 DGGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1Cl 408749955 VIHIEPHGLHSPCU-VCHYOVAHSA-N 302.761 3.421 50 40 DGGB COC(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1 179709 APIAOTITHLKQQI-OVCLIPMQSA-N 323.146 3.399 50 40 DGGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccccc2F)o1 876429 HHLJKQIJMZFIDT-YRNVUSSQSA-N 304.284 3.253 50 40 DGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccncc1 6050457 QWZNPXXZKFNQEG-FLFDVBNFSA-N 313.426 3.422 50 40 DGGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccco2)cc1 1319463 DXGCEYXTYPPBAV-FHXOWUIVSA-N 300.358 3.322 50 40 DGGB Cc1ccccc1OCC(=O)NN=Cc1c[nH]c2ccccc12 252444334 FDKHIUNZUJZDOP-UHFFFAOYSA-N 307.353 3.005 50 40 DGGB OB(O)c1cc(Cl)cc(-n2c3ccccc3c3ccccc32)c1 675082074 SDAVHBDIRPDTGJ-UHFFFAOYSA-N 321.572 3.117 50 40 DGGB O=C/C(=C\Nc1ccc(C(=O)O)cc1)c1nc2ccccc2o1 3021250 UUKGWFWPHBFAPB-FMIVXFBMSA-N 308.293 3.178 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1 13957073 MCTQDKFSJSNMRX-QGOAFFKASA-N 311.341 3.366 50 40 DGGB Cc1cccc(/C=N/NC(=O)COc2cccc3cccnc23)c1 408763973 VEJISUXLMHHJHY-CIAFOILYSA-N 319.364 3.072 50 40 DGGB CC(C)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCl)C1 79415002 PSPNCTSAXGAREY-MRXNPFEDSA-N 308.853 3.127 50 40 DGGB CC1(C)CCC2=C(C1=O)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 503603 VBNWVEKHUBEMJR-AWEZNQCLSA-N 312.344 3.277 50 40 DGGB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C(C#N)=C(S)N1 19816250 KFAJMCXGWZHVBF-ZDUSSCGKSA-N 320.439 3.325 50 40 DGGB Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 17053018 HLGAXHZDBGGBBJ-XYOKQWHBSA-N 314.776 3.236 50 40 DGGB COC(=O)[C@H](Br)c1ccc(Br)cc1 39271920 MJKFDRJNRQQSDA-MRVPVSSYSA-N 307.969 3.058 50 40 DGGB C/C(=N\NC(=O)c1cc(-c2ccccc2)on1)c1ccc(O)cc1 53779062 NVVYXQXNXBGPMD-XDHOZWIPSA-N 321.336 3.201 50 40 DGGB C/C(=N\NC(=O)c1ccccc1Br)c1ccco1 14018002 PKXOHXKHJUCBLU-OQLLNIDSSA-N 307.147 3.196 50 40 DGGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 8220700 CCMXXPQBVNZPOR-QBDRBRNDSA-N 323.396 3.191 50 40 DGGB COc1cc(SC#N)ccc1NS(=O)(=O)c1ccccc1 39370697 KNNXSXWPTQMJPY-UHFFFAOYSA-N 320.395 3.069 50 40 DGGB NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1 507352 AOBLMHZCHQPKMO-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB N#C/C(=C/c1ccc(-c2ccccc2Br)o1)C(N)=O 1508328 QKNVNMCPZXMLJQ-CLFYSBASSA-N 317.142 3.101 50 40 DGGB O=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 3195495 OQZDLJMXSLAJPF-SDNWHVSQSA-N 303.789 3.302 50 40 DGGB CC(C)C(=O)N(C)N(C)C(=O)[C@@H](C)c1cccc2ccccc12 18193566 CPRMQRKDNJNGRY-AWEZNQCLSA-N 312.413 3.431 50 40 DGGB CCc1ccc(-c2cc(C(=O)NN)nn2-c2cccc(C)c2)cc1 59472498 XUZFRXDAOXUYNJ-UHFFFAOYSA-N 320.396 3.014 50 40 DGGB O=C1OC(=O)[C@@H]2[C@@H]3CC[C@@H]([C@@H]12)C3(c1ccccc1)c1ccccc1 104068237 SGBJVGLIDBZHFR-WNRNVDISSA-N 318.372 3.328 50 40 DGGB CC[Sn]1(CC)OO[C@H](c2ccccc2)O1 195999566 IPFFNSHRERRFKZ-LSBIWMFESA-M 314.957 3.146 50 40 DGGB COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC)cc1O 584906854 JVWSYMWMISQSFE-LCYFTJDESA-N 309.321 3.199 50 40 DGGB Cc1ccc(NCC(=O)N/N=C/c2cn(C)c3ccccc23)cc1 223483 UURYUGVWFYRVLG-SRZZPIQSSA-N 320.396 3.049 50 40 DGGB Cc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)c(C)n1C 331489 APYNEZROJNDYSZ-YBFXNURJSA-N 319.408 3.134 50 40 DGGB CCCNC(=O)c1ccc(N(CCCl)CCCl)cc1 1850131 ZKXBLJGGXSLWSL-UHFFFAOYSA-N 303.233 3.110 50 40 DGGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(O)c1 5381742 SUPMJAAXRQKEPT-UDWIEESQSA-N 320.348 3.405 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 5620320 ZTLPXHNKYVHMAQ-ZSOIEALJSA-N 306.321 3.269 50 40 DGGB O=C(N/N=C\c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 31723656 VMTXYXNPTORZFF-SXGWCWSVSA-N 303.705 3.012 50 40 DGGB O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccc(Cl)c1 59138197 RIWYOKAITYZXNG-WOJGMQOQSA-N 317.776 3.297 50 40 DGGB O=C1OO[C@@H]2[C@H]3CC[C@@H]([C@@H]12)C3(c1ccccc1)c1ccccc1 104068194 GBVPUFCBQNKZNW-BSDSXHPESA-N 306.361 3.486 50 40 DGGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(N)=O)cc21 223501379 ATIHPVUPCPJICJ-KEBDBYFISA-N 314.433 3.408 50 40 DGGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1 43597 FLMLVDNOIPQSOO-KRWDZBQOSA-N 308.381 3.427 50 40 DGGB Cc1oc2ccccc2c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 3194729 JUIZAJZPMNFNBM-VCHYOVAHSA-N 323.308 3.413 50 40 DGGB O=C(O)c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1O 1689608 NTPQYOBJLUIOMI-ZDUSSCGKSA-N 305.717 3.009 50 40 DGGB C[C@@H](Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3268172 GQBVWUUWPDPPOO-SSDOTTSWSA-N 311.750 3.284 50 40 DGGB CC(C)(C)C1CCC(=NNC(=O)c2cc(O)c(O)c(O)c2)CC1 4144830 BLDQNDIMEMVBIQ-UHFFFAOYSA-N 320.389 3.126 50 40 DGGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc(Cl)c(Cl)c1 4889166 MMCZNQQEWPGXNV-ZDLGFXPLSA-N 324.211 3.415 50 40 DGGB CC(C)[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260613028 CIPQTWMNABZRFJ-IAQYHMDHSA-N 323.868 3.447 50 40 DGGB COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)cc1 5127834 CZULHFHAHMVABH-LFIBNONCSA-N 321.332 3.272 50 40 DGGB CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C#N)=C(N)N1 237716 XIGXYWJUTMIUGJ-ZDUSSCGKSA-N 316.817 3.209 50 40 DGGB Cn1cc(/C=N/NC(=O)c2cccc3cc[nH]c23)c2ccccc21 312229 PHERRQWGVRQWPT-SRZZPIQSSA-N 316.364 3.424 50 40 DGGB CCCCCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1 2702618 IPTJUTIDTGMZOZ-DEDYPNTBSA-N 311.385 3.415 50 40 DGGB Cc1cc(/C=N\N(C)C)ccc1N(CCCl)CCCl 5011738 GNPXBWBBKXFRMP-BOPFTXTBSA-N 302.249 3.175 50 40 DGGB Cc1cc(-c2nnc(C(F)(F)F)o2)ccc1NC(=O)CCl 163381 OQSNGDYVLGRPEN-UHFFFAOYSA-N 319.670 3.241 50 40 DGGB CCOc1ccccc1[C@H]1CC(=O)NC(SCC)=C1C#N 189620 MHYAIHGXMYWNMH-GFCCVEGCSA-N 302.399 3.177 50 40 DGGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 4602515 IUTOLZYZPYDJKD-FMIVXFBMSA-N 311.272 3.280 50 40 DGGB Cc1cnc(C(=O)NN(c2ccccc2)c2ccccc2)cn1 14862524 AUSUTWWHLRYUOS-UHFFFAOYSA-N 304.353 3.268 50 40 DGGB CC[C@H](Br)C(=O)Nc1c(F)c(F)cc(F)c1F 70451388 QXJONGUKPNBQDA-BYPYZUCNSA-N 314.076 3.355 50 40 DGGB CC(C)N(CC1CCN(Cc2ccccc2)CC1)C(=O)CCl 79393747 XCRHMZCWWMEMLN-UHFFFAOYSA-N 322.880 3.374 50 40 DGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2)cc1 223174786 HDABVMZJBHLWPD-ZROIWOOFSA-N 324.311 3.158 50 40 DGGB CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB(CCCBr)O[C@]21C 256500416 IFWLNKNUIWTYGB-LSCVPOLPSA-N 301.033 3.500 50 40 DGGB Cc1cc2c(cc1/C=N/NC(N)=O)[C@@H](C)CC(C)(C)N2C(C)C 223588407 DUNRQRVXAKBKDT-NPNVKNKFSA-N 316.449 3.498 50 40 DGGB O=C(O)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 96221690 ZKWILPHSDPXKSW-LBPRGKRZSA-N 317.476 3.024 50 40 DGGB biogenic COc1ccc(C(=O)N/N=C(\C)c2ccc(C)s2)cc1OC 5618526 VXVMELUYWNEBOP-GZTJUZNOSA-N 318.398 3.228 50 40 DGGB CC(C)(C)c1cc(/C=N/NC(=O)CC#N)cc(C(C)(C)C)c1O 193328 SGFPFRLCOIVNCM-RGVLZGJSSA-N 315.417 3.351 50 40 DGGB COc1ccccc1C(=O)NNc1nc2c(C)cccc2s1 4121304 DXTOKHZIKJWBEP-UHFFFAOYSA-N 313.382 3.370 50 40 DGGB COc1cccc(NC(=O)[C@H](Cl)C(=O)c2ccccc2)c1 4207271 LJBNLRSPLBPLQG-CQSZACIVSA-N 303.745 3.124 50 40 DGGB CCCCC(=O)N/N=C(/C)c1cccc(NC(=O)C2CC2)c1 4646826 BKMIDWLXVPBRTF-UNOMPAQXSA-N 301.390 3.066 50 40 DGGB O=C(NNC(=O)c1cccnc1)c1ccc(C2CCCCC2)cc1 12909840 QHXOAIBGIQMOBY-UHFFFAOYSA-N 323.396 3.204 50 40 DGGB Cc1ccc(NC(=S)NNC(=O)Nc2ccccc2)cc1 13554781 MCIAGORSNUAPLG-UHFFFAOYSA-N 300.387 3.018 50 40 DGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100064535 WJZYVSLLOSZEAC-MVBJMIKPSA-N 315.373 3.066 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101158335 ANRXFLOWYGRAPO-QXAZVFNCSA-N 315.373 3.445 50 40 DGGB CC(C)(C)c1ccc(OCCOC(=O)CBr)cc1 1687156 KZPGNETTXSBYOX-UHFFFAOYSA-N 315.207 3.301 50 40 DGGB CCCCCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C 4719736 KTIHMJQEZXJLHY-WOJGMQOQSA-N 316.405 3.355 50 40 DGGB CCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OCC 2768644 SWQIQLVOKWWFGA-GXDHUFHOSA-N 314.385 3.060 50 40 DGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1O 3172648 IVPDNRPVBINUSS-DJKKODMXSA-N 308.259 3.175 50 40 DGGB COc1ccc(CCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 353920 WJVSTVYDAJTATI-FYJGNVAPSA-N 321.380 3.259 50 40 DGGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2)cc1C 2147591 LDWLJHIFHCRFRU-DEDYPNTBSA-N 323.396 3.172 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)c1 408809727 IMVXYQSYXLMETO-QGOAFFKASA-N 320.392 3.270 50 40 DGGB O=C(CI)c1ccc(Br)cc1 38410651 RNUBOFBGXIQXKN-UHFFFAOYSA-N 324.943 3.067 50 40 DGGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1 71822754 WHAVIOSFPUWCQI-SSZFMOIBSA-N 311.429 3.499 50 40 DGGB COc1ccccc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2 48325446 ZZVBJZSBOPYAIJ-ZSOIEALJSA-N 307.305 3.214 50 40 DGGB COc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1OC 231716 VFKHKFSQDCZIIH-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccccc1 5516929 VKEHUCOUGXYTDK-XDHOZWIPSA-N 301.777 3.292 50 40 DGGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cccs1 32558252 UDYRMLKFZJFITD-CYBMUJFWSA-N 320.377 3.356 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 5362971 KPDYZBSIZKAEJP-OVCLIPMQSA-N 307.147 3.114 50 40 DGGB C/C(=N\NC(=O)Cc1cccs1)c1ccc(-n2ccnc2)cc1 4619393 WGNSWMNJHCICQQ-CPNJWEJPSA-N 324.409 3.017 50 40 DGGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)NC1CCCC1 409191331 VTWZQIJFDGYLAL-SSZFMOIBSA-N 309.413 3.253 50 40 DGGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccc(O)cc1 33328963 NQCXQVZCGMZBSH-ZHZULCJRSA-N 323.396 3.146 50 40 DGGB NNC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 226318738 IIYDZMRRVBSXQM-UHFFFAOYSA-N 311.168 3.176 50 40 DGGB COc1ccc(C)cc1NC(C#N)=C1C(=O)c2ccccc2C1=O 148188 AOXYBHXOGGCJMS-UHFFFAOYSA-N 318.332 3.272 50 40 DGGB N#CC(Nc1ccc(F)cc1F)=C1C(=O)c2ccccc2C1=O 99856 LLPXDXYMWISOJI-UHFFFAOYSA-N 310.259 3.234 50 40 DGGB CCOC(=O)N1CCC(=C(C#N)c2nc3ccccc3[nH]2)CC1 39946611 JRBNKIATKNTYRK-UHFFFAOYSA-N 310.357 3.092 50 40 DGGB in-vitro CC(=O)N/N=C(\C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 60684610 XUMAUEGQGQIADD-OQLLNIDSSA-N 303.343 3.183 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC#N)cc1 195380284 VHQIZAIYLPYREE-VBKFSLOCSA-N 317.348 3.443 50 40 DGGB COc1c(C)cc(Br)cc1C(=O)CBr 1504308202 JPBRNZLLVPWBGJ-UHFFFAOYSA-N 321.996 3.344 50 40 DGGB Cc1cc(NC(=O)CCBr)ccc1Br 2581847 LNNYEGTVHBLUSC-UHFFFAOYSA-N 321.012 3.481 50 40 DGGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1cccs1 2748553 ZQFWRVKJQPYSCK-VUVCFOEZSA-N 317.414 3.098 50 40 DGGB CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 17472989 ZONNQNRISXIZPW-NTCAYCPXSA-N 317.348 3.471 50 40 DGGB CSc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1 32223214 HCRLNUCVEKADTQ-ODLFYWEKSA-N 313.426 3.279 50 40 DGGB CCOc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1 100216262 VYPMNOXFJCTADC-WNADSGISSA-N 300.402 3.362 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 105426248 WJZYVSLLOSZEAC-CWKTUHNBSA-N 315.373 3.066 50 40 DGGB O=C(CCl)NCCc1nc(-c2ccc(Cl)cc2)cs1 1415146 GDJJVZVBUXZTSI-UHFFFAOYSA-N 315.225 3.361 50 40 DGGB COc1ccc(Cl)cc1C(=O)N/N=C/c1sccc1C 2746927 PXPHNILDFKVDMR-LZYBPNLTSA-N 308.790 3.482 50 40 DGGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1 1803150 WDSKZSVZYGVTPX-DTQAZKPQSA-N 320.396 3.473 50 40 DGGB CC(C)N(Cc1cccc(Br)c1)C(=O)CCl 32199421 SXKVHKSPXXVHGG-UHFFFAOYSA-N 304.615 3.425 50 40 DGGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccn1 59473540 CHKSNZAYWQCJQT-VDCVXVNISA-N 319.817 3.366 50 40 DGGB COc1cccc(C(=O)CBr)c1Br 97437858 VYMYZATYCJJVHG-UHFFFAOYSA-N 307.969 3.035 50 40 DGGB Cc1cc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c2ccccc2n1 101698777 FEDHJSVGHKTTFI-BKUYFWCQSA-N 323.396 3.408 50 40 DGGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(O)cc1O 408599119 OVOPOOYZANXFBY-UDWIEESQSA-N 320.348 3.405 50 40 DGGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccccn1 17031173 NFLPMDPCIAFIMM-UDWIEESQSA-N 305.337 3.094 50 40 DGGB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC=C(C#N)C#N 24253356 GPQMSMIENBUBBA-UHFFFAOYSA-N 318.384 3.323 50 40 DGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1[C@@H]1C=CCCC1 39940565 FVZOAPHIVYVRCH-ABAIWWIYSA-N 320.348 3.319 50 40 DGGB N#C/C(=C\Nc1cccc(C(=O)c2ccccc2)c1)C(N)=S 12139508 GDONIHCVTIKENV-SDNWHVSQSA-N 307.378 3.023 50 40 DGGB O=C(Cc1cccs1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 12375284 LLFWKVZHOZSLQR-LFQDESKDSA-N 315.354 3.014 50 40 DGGB NC(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 41214112 PEGNHESQUWMNCH-UFWORHAWSA-N 321.739 3.060 50 40 DGGB Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 59447300 UEPFABMZGCEOSO-RQZCQDPDSA-N 317.732 3.321 50 40 DGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\CCSC2)c1 23740439 QPFKIJOASHLMRI-GHRIWEEISA-N 306.431 3.106 50 40 DGGB CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(Cl)cc1Cl 96518964 DXFNHHWFBXGVQP-ZJUUUORDSA-N 317.621 3.026 50 40 DGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 7164914 VEYKYHXMQASYRW-JLHYYAGUSA-N 310.309 3.002 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1O 3228519 SSEXOAKWLMWRSD-BZOBAROVSA-N 314.385 3.003 50 40 DGGB Cc1ccc(O)c(N/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1 5482750 MOMPWUTWFVYIAP-BENRWUELSA-N 311.316 3.298 50 40 DGGB Cc1c(C#N)c(NC(=O)CCl)n(-c2ccc(F)cc2)c1C 9596207 OSFNPMVTACBBBU-UHFFFAOYSA-N 305.740 3.282 50 40 DGGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408726934 WTDMPDONIQIBDW-ZROIWOOFSA-N 307.309 3.449 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1 408994145 GNCHYPPFKPWTBH-XDHOZWIPSA-N 307.353 3.263 50 40 DGGB N#C/C(=C\c1ccccc1OCCOc1ccccc1)C(N)=S 408543478 PIHPAPITLKGBAZ-NTCAYCPXSA-N 324.405 3.337 50 40 DGGB N#CCn1cc(/C=N\NC(=O)Nc2ccccc2)c2ccccc21 34690987 KNIAXAPISNXCDI-NDENLUEZSA-N 317.352 3.320 50 40 DGGB O=C(CCl)Nc1ccc(-n2cnc(Cl)c2Cl)cc1 160956 NCAZCVIQGCBQSU-UHFFFAOYSA-N 304.564 3.356 50 40 DGGB CO[C@@H](C(=O)N/N=C/c1ccc(SC)cc1)c1ccccc1 382271 PGQYXLVIEYDDKG-YAJBTMAUSA-N 314.410 3.246 50 40 DGGB N#CSc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(F)c1 8752326 NZPJNGJZLVICLG-WDEREUQCSA-N 320.345 3.004 50 40 DGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccn1 59472774 TXDYCALXOCFQSC-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB O=[P@]1(N(CCCl)CCCl)OCC[C@H]2CCCCN21 195409819 LBHRYWZOYQOZFA-ADLMAVQZSA-N 315.181 3.149 50 40 DGGB CCCC[C@@H](C(=O)NN)N1c2ccc(F)cc2C(C)=CC1(C)C 223228513 IJHKICUKWDWUKI-INIZCTEOSA-N 319.424 3.376 50 40 DGGB Cc1ccc(C(=O)[C@H](Br)CBr)c(F)c1 306820829 JPSVMYWSQVDLPC-MRVPVSSYSA-N 323.987 3.475 50 40 DGGB N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)NC(N)=O 409245479 UKYMBPUINQUQFW-UVTDQMKNSA-N 315.332 3.095 50 40 DGGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccs2)cc1 8558630 DJGCHBDIBLZDCK-LICLKQGHSA-N 315.398 3.107 50 40 DGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccnc1 59155129 ZQVQOLCLMSPRBW-GIJQJNRQSA-N 319.817 3.119 50 40 DGGB Cc1cccc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 409200329 RJMYWWKJEMHUHB-UFFVCSGVSA-N 321.424 3.078 50 40 DGGB CCC1CCC(=NNC(=O)c2cc(C(F)(F)F)n[nH]2)CC1 6856443 VUGRMOVJPCIXHA-UHFFFAOYSA-N 302.300 3.115 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2OC)cc1 18192793 DIGUEHFJYVVRHG-LFIBNONCSA-N 323.348 3.354 50 40 DGGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 6209971 ZGOOKZOKBKBVJM-XYOKQWHBSA-N 312.350 3.300 50 40 DGGB COc1cccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)c1 563973 STQFHGAEHZSYDF-XSFVSMFZSA-N 323.396 3.059 50 40 DGGB O=C(CNc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 251805 MJPGAEDPSGLLSL-CIAFOILYSA-N 319.364 3.108 50 40 DGGB CCOC(=O)c1c(CSC#N)oc2ccc(OC(C)=O)cc12 2207642 IZGNPTNHPMKZCI-UHFFFAOYSA-N 319.338 3.249 50 40 DGGB COc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)cc1 4827288 WLEBFPNZMMJBOF-VCHYOVAHSA-N 318.760 3.208 50 40 DGGB N#C/C(=C/[C@@H]1CCC[C@@H]([N+](=O)[O-])C1)C1CCC([N+](=O)[O-])CC1 5600376 SKMLWKVLVSMLDJ-PSHVOKOWSA-N 307.350 3.107 50 40 DGGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1O 16410634 BCVOOFMBAUSVOH-GXDHUFHOSA-N 314.385 3.147 50 40 DGGB CS(=O)(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1 96930388 UHXHEJTWWYLMRR-POHAHGRESA-N 307.318 3.208 50 40 DGGB C[C@H](Oc1ccccc1)C(=O)NN=Cc1ccc(Cl)cc1 245241487 FWLJMBJQSUPFPQ-LBPRGKRZSA-N 302.761 3.258 50 40 DGGB CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846135 LINKCHPZYVUODU-SFHVURJKSA-N 321.380 3.276 50 40 DGGB C=CCOc1ccccc1C(=O)N/N=C1\CC(=O)CC(C)(C)C1 100023905 JQZXWZUXMWVEER-CPNJWEJPSA-N 314.385 3.116 50 40 DGGB CN(C)NC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408974909 FLQQHWPYALEIJR-UHFFFAOYSA-N 322.393 3.204 50 40 DGGB C=COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 493703 KDWYEAYBBVIHLK-INIZCTEOSA-N 308.337 3.024 50 40 DGGB CCc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 11582426 HCGWWRLUJARSOV-OAHLLOKOSA-N 310.397 3.475 50 40 DGGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 5013383 MPZDHPQNNKSQEM-INIZCTEOSA-N 324.384 3.115 50 40 DGGB CC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 19806078 NVLIXSNXFOIRPR-INIZCTEOSA-N 309.325 3.086 50 40 DGGB Cc1ccc(NC(=O)[C@H](C)Cl)cc1I 37007057 YBCPLBRSGBAJDI-ZETCQYMHSA-N 323.561 3.165 50 40 DGGB Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 32537678 SDLPCLBFYXVEGQ-VCHYOVAHSA-N 324.409 3.114 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C)cc2)c(OC)c1 5163956 BTWOTIXIYFMPRZ-CPNJWEJPSA-N 312.369 3.166 50 40 DGGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 5370333 FVCFWJZIIXHUKN-LICLKQGHSA-N 317.732 3.402 50 40 DGGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1 3131967 LBKRJBCPRRNCBY-XSFVSMFZSA-N 323.396 3.118 50 40 DGGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccsc3)ccc21 3251102 DYKBFHPUHRHHTE-RQZCQDPDSA-N 312.398 3.190 50 40 DGGB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCCl 4565257 SLILHXDZWCDHAD-ZBFHGGJFSA-N 306.837 3.148 50 40 DGGB CCN(CC)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1 22016988 WLKOCYWYAWBGKY-UHFFFAOYSA-N 311.385 3.002 50 40 DGGB Cc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 33903113 YXGATALBSYNIEK-MFOYZWKCSA-N 317.732 3.321 50 40 DGGB CCN1CCC(=NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 55082708 PLOBYVFMAYCJEK-UHFFFAOYSA-N 317.477 3.181 50 40 DGGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409251376 PUBOFNRQKONEES-GRSHGNNSSA-N 320.751 3.181 50 40 DGGB CCOC(=O)c1c(NC=C(C#N)C#N)sc2c1CCCC2 2539533 ISUNUPBOKSRBBS-UHFFFAOYSA-N 301.371 3.147 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 5911289 YCNCAEOYSRUXNC-LDADJPATSA-N 311.341 3.311 50 40 DGGB COC(=O)c1ccccc1N/C=C(\C#N)c1ccc2c(c1)OCO2 44827210 CAZPRJJEDCUWNW-JLHYYAGUSA-N 322.320 3.178 50 40 DGGB O=C(CCCC[C@H]1CCSS1)NCCc1ccncc1 96115708 IBDYLYOEAFCSLC-AWEZNQCLSA-N 310.488 3.454 50 40 DGGB biogenic O=C1OO[C@@H]2[C@H]3CC[C@H]([C@@H]12)C3(c1ccccc1)c1ccccc1 104068189 GBVPUFCBQNKZNW-BRSBDYLESA-N 306.361 3.486 50 40 DGGB C#CCn1cc(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21 409260009 JCWLSBGCGUKQNO-FYJGNVAPSA-N 315.376 3.347 50 40 DGGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Cl 59334146 OGUVMMUGJBFDQM-WDZFZDKYSA-N 323.179 3.001 50 40 DGGB CC(=O)Nc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1 57413995 GBMUJOBJKMPZHV-WYMLVPIESA-N 320.352 3.103 50 40 DGGB O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(Cl)nc1 3486828 XZMLWIAYVCHIHQ-UHFFFAOYSA-N 319.645 3.048 50 40 DGGB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2[C@H](C(=O)NN)C(C)C 260624995 XQQNAORGKSIODG-CJNGLKHVSA-N 303.450 3.102 50 40 DGGB CCSC1=C(C#N)[C@@H](c2ccccc2OC)[C@H](C#N)C(O)=N1 189246 ANVIXFGZZSXJBN-FZMZJTMJSA-N 313.382 3.377 50 40 DGGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C)c1cccc([N+](=O)[O-])c1 101357662 LQXXVXKKVXXJSS-DLQVNHHTSA-N 315.373 3.261 50 40 DGGB Cc1oc(-c2ccccc2)nc1CC(=O)NN(C)c1ccccc1 42621181 RJAYRMKDRIZPTP-UHFFFAOYSA-N 321.380 3.360 50 40 DGGB O=C(NNC(=O)c1cccc2ccccc12)c1ccccc1F 1569431 VDSKEBOQJYLNDT-UHFFFAOYSA-N 308.312 3.054 50 40 DGGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 8220533 CPARBYZSDCVIPG-SDNWHVSQSA-N 321.311 3.274 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2n[nH]cc2-c2ccc(F)cc2)cc1 8557061 CIHJRGPIDNAQGC-SRZZPIQSSA-N 322.343 3.288 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 16790728 LWUYQMZLGORLET-ATTDUZETSA-N 321.336 3.379 50 40 DGGB CCOC(=O)c1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1 20132103 FMIPXQUGQFTZBK-ZETCQYMHSA-N 312.778 3.039 50 40 DGGB Cc1c(/C=C(\C#N)C(N)=O)c2ccccc2n1Cc1ccccc1 408927524 PVWBTKHFPSXEIS-LFIBNONCSA-N 315.376 3.390 50 40 DGGB C[C@@](Br)(C(=O)O)[C@@H](Br)c1ccccc1 1755195 TWPSWLFBYHEOGG-WPRPVWTQSA-N 321.996 3.361 50 40 DGGB O=[N+]([O-])c1cccnc1SSc1ncccc1[N+](=O)[O-] 13205230 QHSXWDVVFHXHHB-UHFFFAOYSA-N 310.316 3.092 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1 36476334 RYJQQYLKVJWSDD-JYRVWZFOSA-N 323.308 3.155 50 40 DGGB CO[C@@H](C(=O)N/N=C(\C)c1ccc(F)cc1)c1ccccc1 58915869 ILDVQRDUCIVAPS-PUMYGXPMSA-N 300.333 3.054 50 40 DGGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 59447418 NCELHWNJAUTRDF-QGOAFFKASA-N 311.341 3.366 50 40 DGGB Cc1ccc(C(=O)[C@H](Br)CBr)s1 307513629 QPSFCOCWQXPJEQ-ZCFIWIBFSA-N 312.026 3.398 50 40 DGGB O=C(Cc1ccccc1)N/N=C(\c1ccccc1)c1ccncc1 2729661 DCNXHESXFYAWCP-BSYVCWPDSA-N 315.376 3.193 50 40 DGGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(C)C 4697844 VBSJILSGPRGFDR-DEDYPNTBSA-N 315.417 3.042 50 40 DGGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 5381606 XDZPYURXOUIULQ-JQXMUZPYSA-N 323.352 3.239 50 40 DGGB Cc1ccccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 13135200 ORLCLISOFCASLA-UHFFFAOYSA-N 322.286 3.089 50 40 DGGB O=C(N/N=C/c1ccoc1)c1cc2cc([N+](=O)[O-])ccc2s1 33671071 XIGVQOQLJULXII-VIZOYTHASA-N 315.310 3.166 50 40 DGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccncc2)ccc1OC 98053267 DHGFRESLXYXACV-GXDHUFHOSA-N 323.352 3.035 50 40 DGGB CCC[C@H](C(=O)NN)N1c2cc(C)ccc2C(C)=CC1(C)C 223220277 NJZOHNYAACBJFN-OAHLLOKOSA-N 301.434 3.156 50 40 DGGB O=C(NN=C(CCl)CCl)c1ccc(Br)cc1 4480101 ODIYWEQQSFSENQ-UHFFFAOYSA-N 324.005 3.013 50 40 DGGB CCOC(=O)/C(C#N)=C1\CCCC[C@H]1C(SC)=C(C#N)C#N 59662411 JYYQXSXRQDMIEJ-MNWMYKRDSA-N 315.398 3.224 50 40 DGGB I[C@H]1CCCN(Cc2ccccc2)C1 79436736 FHTUIQKEZRUTCA-LBPRGKRZSA-N 301.171 3.086 50 40 DGGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@H](c2ccccc2)N1C 5759305 IAMSSWVYFLLESU-GOSISDBHSA-N 317.392 3.414 50 40 DGGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccnc1 63584 RMCQOSYRDGZBAZ-CNRHGSOZSA-N 319.364 3.152 50 40 DGGB O=C(Cl)[C@@H]1CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12 1579004 AXBRTUZCXKXWGZ-VXKCQOAXSA-N 313.740 3.438 50 40 DGGB Cc1ccc([C@@H](Br)[C@H](Br)C(=O)O)cc1 2154635 SGZSQKUXROIKMV-BDAKNGLRSA-N 321.996 3.279 50 40 DGGB CC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 4510597 GWIPZPLSKKOQSL-VCHYOVAHSA-N 302.761 3.389 50 40 DGGB O=C(N/N=C/c1cccc(F)c1)c1ccc(N2CCCC2)cc1 7384926 FFVIBORYHFIQIT-DEDYPNTBSA-N 311.360 3.190 50 40 DGGB Cc1cccc(NCC(=O)N/N=C\c2ccc(Cl)cc2)c1 33284716 OWIIXCIVCALQCU-GRSHGNNSSA-N 301.777 3.211 50 40 DGGB Cn1c(SCCCCl)nnc1-c1cc(F)cc(F)c1 228979775 BDVVWTVSCAJMFZ-UHFFFAOYSA-N 303.765 3.481 50 40 DGGB COc1cccc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1 547651 VPYUBIJVCMHBKG-OAHLLOKOSA-N 309.369 3.327 50 40 DGGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C)[C@@H]2Br 1748850 GAYCFDDDUIMMOM-WQGWLQIFSA-N 310.029 3.293 50 40 DGGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 2745490 YNVHYIMGLNDKBP-FOWTUZBSSA-N 323.396 3.349 50 40 DGGB O=C(N/N=C/c1ccc2ccccc2c1O)c1ccccc1O 2749959 TUZKFRCVGZINHJ-YBFXNURJSA-N 306.321 3.015 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)c1 3577614 VCKOQPRJKHHAEE-DJKKODMXSA-N 320.751 3.317 50 40 DGGB CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC 5475810 CAFLRARPSKCLQN-XDHOZWIPSA-N 312.369 3.166 50 40 DGGB C[C@@H]1CCCN(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)C1 30791221 LTQLKTOLZKGLED-RVROTUBLSA-N 303.793 3.418 50 40 DGGB C/C(=N\NC(=O)[C@H]1CCCO1)c1cc2cc(Cl)ccc2o1 98054899 PKIMHOXGILPOLG-LFMVTYOGSA-N 306.749 3.105 50 40 DGGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc2c1OCO2 211728716 MGPHNSFGIRPTTH-MLPAPPSSSA-N 324.292 3.396 50 40 DGGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 134885 PMAPSVKQSNRJJO-WOJGMQOQSA-N 301.777 3.170 50 40 DGGB Cc1cccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c1 353827 VNLISOBZAGDFHG-RGVLZGJSSA-N 321.380 3.016 50 40 DGGB CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@H]1c1ccccc1 1613407 SPIMGRICQZDPNI-KRWDZBQOSA-N 303.365 3.072 50 40 DGGB COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)oc1C 17700130 SCVHETUDSUZACN-MDWZMJQESA-N 324.336 3.229 50 40 DGGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)c(OC)c1 408845545 KKDDMBKKVALKKC-ODLFYWEKSA-N 324.336 3.214 50 40 DGGB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCl 2647832 XVJNUDNRQNJXHM-LBPRGKRZSA-N 310.825 3.108 50 40 DGGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 16790730 RYYNDHCHTCVQJH-YYTPVVGHSA-N 321.336 3.379 50 40 DGGB COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 206191707 OBUUXYAHHBFSEX-LCYFTJDESA-N 323.308 3.149 50 40 DGGB O=C(NNc1nc2c(F)cc(F)cc2s1)c1cccc(F)c1 429774 JDMIKIMWNQVFIG-UHFFFAOYSA-N 323.299 3.471 50 40 DGGB COc1ccccc1[C@@H]1C(C#N)=C(N)OC(C(C)(C)C)=C1C#N 548391 AYMXNVPUXLDPBV-HNNXBMFYSA-N 309.369 3.327 50 40 DGGB CC(C)(C)[C@@H]1CN[P@](=O)(N(CCCl)CCCl)OC1 1571354 KWAPQEGATJPOMF-MLCYQJTMSA-N 317.197 3.156 50 40 DGGB CC(C)OC(=O)/C(C#N)=C/c1cc(Br)ccc1F 6781898 DWYXUFBQCUDKFK-BJMVGYQFSA-N 312.138 3.447 50 40 DGGB O=C(N/N=C1\CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 100013683 LHUOTRZKRVEMST-FBMGVBCBSA-N 309.325 3.065 50 40 DGGB C[C@]12C(=O)C[C@@H](C[C@@H]1Br)[C@@]2(C)CBr 100015377 SPFMPLHTTYXRFI-BKFJMODKSA-N 310.029 3.150 50 40 DGGB CC(=O)N/N=C\c1ccc(-c2ccc(C)cc2Br)o1 409012219 JVYYFIUPTLMTMW-PXNMLYILSA-N 321.174 3.488 50 40 DGGB CCc1ccc(/C(C)=N/NC(=O)CNC2CCCCC2)cc1 409381564 GSRFLGUEHWKHFR-XSFVSMFZSA-N 301.434 3.012 50 40 DGGB CC(C)(C)OC(=O)N1CC[C@@H](Br)C(F)(F)C1 606303234 QTVNGEUYJJYPQQ-SSDOTTSWSA-N 300.143 3.026 50 40 DGGB CO[C@@H](C(=O)N/N=C1\CCCC[C@H]1CCC#N)c1ccccc1 408720129 TUCLPKWMZZRLEK-RBGWEIGCSA-N 313.401 3.340 50 40 DGGB C[C@H](NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 6794795 RYYNDHCHTCVQJH-RERGGYADSA-N 321.336 3.379 50 40 DGGB Cc1nc2ccccn2c1C(=O)N/N=C1/CCCc2ccccc21 33684945 NOLHWRTUQRAFHO-PGMHBOJBSA-N 318.380 3.113 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1 6410511 NZHXSKUPXMUKFB-MPMPPSQCSA-N 306.365 3.480 50 40 DGGB O=C(N/N=C/c1cccc(Br)c1)c1cccs1 228024 WYUYZFUXYKHANA-RIYZIHGNSA-N 309.188 3.275 50 40 DGGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccs1 31127 GSXIUQXCLTXWTP-YBFXNURJSA-N 309.394 3.464 50 40 DGGB O=C(NNc1ccccc1C(F)(F)F)Nc1nccs1 42755326 VHVFVOMHZOMAKK-UHFFFAOYSA-N 302.281 3.311 50 40 DGGB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCCCl 110549092 SLILHXDZWCDHAD-GDBMZVCRSA-N 306.837 3.148 50 40 DGGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-] 205560626 ZQEPZYPWUXYTBT-UVTDQMKNSA-N 307.309 3.449 50 40 DGGB COc1ccc(C(=O)NNc2nc3ccc(C)cc3s2)cc1 246136 YQEZCTIGJYOEBS-UHFFFAOYSA-N 313.382 3.370 50 40 DGGB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NN(C)C)(C4)C2)C3)cc1 1467711 DWKBNRVGAADAME-BANKROOTSA-N 312.457 3.426 50 40 DGGB CCOC(=O)[C@]1(Br)CCCC[C@@H]1Br 1563647 PFKBMFSALPTIHN-CBAPKCEASA-N 314.017 3.021 50 40 DGGB C/C=C/C=C/C(=O)NNC(=O)c1sc2ccccc2c1Cl 6904372 FYMMTDDGXOGMGU-DSXPNFDZSA-N 320.801 3.448 50 40 DGGB CCN(NC(=O)c1cc(C)nc2onc(C)c12)c1ccc(C)cc1 22311112 AMCIEFMGQGDQJP-UHFFFAOYSA-N 324.384 3.319 50 40 DGGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 33601562 KCTKKAVRTDYJCA-DHDCSXOGSA-N 306.321 3.239 50 40 DGGB CCOc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 59167339 JGSVAKZVMFFKTC-LDADJPATSA-N 314.410 3.328 50 40 DGGB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(SC#N)cc3)C(=O)[C@H]2C1 104188591 ZZEHRNOHYOWJJX-HONMWMINSA-N 300.383 3.185 50 40 DGGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1O 108088420 NYPPCHMWUJVNKD-QQKHEBFDSA-N 316.401 3.067 50 40 DGGB COc1ccc(/C(C)=N/NC(=O)CC2(C)SCCS2)cc1 409366389 UUAGNAZUFVLYJR-LFIBNONCSA-N 324.471 3.122 50 40 DGGB COc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1 3289316 OXWCNINYQGPXKK-UHFFFAOYSA-N 318.760 3.125 50 40 DGGB CCc1n[nH]c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 8382649 XUVSGHKKZULOIT-INIZCTEOSA-N 316.364 3.343 50 40 DGGB O=C(N/N=C\c1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225368781 DYAQESFJNVOVHT-JAIQZWGSSA-N 322.364 3.002 50 40 DGGB CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(Cl)cc1Cl 96518965 DXFNHHWFBXGVQP-NXEZZACHSA-N 317.621 3.026 50 40 DGGB O=C(N/N=C/c1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 486683 YSBFYEZMLWPGRV-VGOFMYFVSA-N 309.734 3.074 50 40 DGGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1O 6033637 OTOQZHKRCMITEP-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CC=CCC1 14595747 JOFXWAKGUAFMTI-LZUXJJCOSA-N 316.445 3.097 50 40 DGGB O=C(NNc1ccccn1)C(c1ccccc1)c1ccccc1 312091 CHAPXVSBLDAROK-UHFFFAOYSA-N 303.365 3.357 50 40 DGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccncc1 2743817 SWYSYMDXCBEYMT-XYOKQWHBSA-N 313.744 3.289 50 40 DGGB O=C(NNC(=O)c1ccc(C2CCCCC2)cc1)c1ccncc1 12934180 UTXMYWVULRHGAC-UHFFFAOYSA-N 323.396 3.204 50 40 DGGB O[C@H](CCl)C/N=c1\sc2ccccc2n1-c1ccccc1 13161838 PLGRTBDJHAODOQ-LTRYHMRKSA-N 318.829 3.192 50 40 DGGB O=C(N/N=C/c1ccc2ncccc2c1)[C@H]1C[C@@H]1c1ccccc1 5516499 YMQQIYFIEZECEK-HWPLOXAPSA-N 315.376 3.489 50 40 DGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1O 573525 LHCWVOZFTDWCBF-CAOOACKPSA-N 322.748 3.110 50 40 DGGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccccc1O 105249299 YDTHGYIBTNTKGP-FYJGNVAPSA-N 319.364 3.403 50 40 DGGB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)C(C#N)=C(N)O1 71005 GYCFDAQVLCSFLX-HNNXBMFYSA-N 312.369 3.112 50 40 DGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1 3033295 WAMMWMDTFXJMRB-VXLYETTFSA-N 316.788 3.486 50 40 DGGB Cc1ccc(C(=O)NNC(=O)Cc2coc3cc(C)ccc23)cc1 14622417 YDCFFPNHLKYBRO-UHFFFAOYSA-N 322.364 3.053 50 40 DGGB Cc1c(/C=N/NC(=O)c2cccc(F)c2)c2ccccc2n1C 43308 XLNJZZKBDJNXPY-RGVLZGJSSA-N 309.344 3.390 50 40 DGGB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3CC[C@@H]2[C@@H]3Cl)cc1 4280497 BIUHZYBFROEDBT-VZZFWQQMSA-N 300.807 3.106 50 40 DGGB CCOC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccccc2)c1 5165493 LCZFESIBDWLSJG-WJDWOHSUSA-N 320.348 3.409 50 40 DGGB O=C(CS[C@@H]1CCc2ccccc21)N/N=C\c1ccco1 5664996 SVDDYYFSXGNVMR-DISPHTKASA-N 300.383 3.150 50 40 DGGB Cn1c(SCCCCl)nnc1-c1ccc([N+](=O)[O-])cc1 228978786 NGHPOHSBFDXODO-UHFFFAOYSA-N 312.782 3.111 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(O)c1 408878567 BYUKQSCKCJNGDW-XYOKQWHBSA-N 312.300 3.086 50 40 DGGB CSc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 33041 DMEJXBMSWCHQFV-HNNXBMFYSA-N 300.383 3.079 50 40 DGGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)Cc1ccccc1 4106766 SCPBMPFHWLXHLS-RCCKNPSSSA-N 321.424 3.288 50 40 DGGB C/C(Cc1ccccc1)=N\NC(=O)Cn1ccc2ccccc21 4663687 PPYZJSFGIVHPLW-HMMYKYKNSA-N 305.381 3.376 50 40 DGGB COc1cccc(/C=C(\C#N)C(=O)NC2CCCCC2)c1OC 5130659 AFPSTLCBEYVNKD-SDNWHVSQSA-N 314.385 3.060 50 40 DGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(F)c2)cc1 7068644 QMELWQJZHXMHQB-DHDCSXOGSA-N 310.328 3.058 50 40 DGGB CCCC/C(C)=N/NC(=O)c1ccc(NC(=O)C2CC2)cc1 4545276 KOMRLPQKGUXHHB-XDHOZWIPSA-N 301.390 3.331 50 40 DGGB O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1CCCCCCC1 5673382 YHYROVHZHMCBQR-UHFFFAOYSA-N 303.362 3.354 50 40 DGGB Cc1ccc([C@H](Br)[C@H](Br)C(=O)O)cc1 2154632 SGZSQKUXROIKMV-IUCAKERBSA-N 321.996 3.279 50 40 DGGB N#C/C(C(=O)CCl)=C(\c1ccc(F)cc1)N1CCCCC1 2633235 HUSGFJHUXRSKST-PEZBUJJGSA-N 306.768 3.354 50 40 DGGB COc1ccc2ccccc2c1/C=C(/C#N)C(=O)N1CCCC1 6200144 QUJMNOZAXGVVMF-QINSGFPZSA-N 306.365 3.378 50 40 DGGB O=C(N/N=C/c1ccc(F)s1)c1ccc(OC(F)F)cc1 252490323 KPMZHEREZCYMFP-REZTVBANSA-N 314.288 3.253 50 40 DGGB O=[N+]([O-])c1cc(CBr)cc(CBr)c1 3132787 QYSIUHPRIGFUPX-UHFFFAOYSA-N 308.957 3.385 50 40 DGGB CCOC(=O)c1c(CC(C)C)csc1NC=C(C#N)C#N 6847844 KJDCOYNNMGHJAC-UHFFFAOYSA-N 303.387 3.466 50 40 DGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C)cc1C 13954009 PNZOHNRAPCLIRS-CPNJWEJPSA-N 310.353 3.186 50 40 DGGB COC(=O)[C@@H](Br)Cc1ccc(C(F)(F)F)cc1 49922753 LZMQOEJHOIFBEV-VIFPVBQESA-N 311.097 3.184 50 40 DGGB in-vitro CCCC(CCC)=NNC(=O)C(=O)Nc1cccc(Cl)c1 59434234 AUSCRXXOIFEGHH-UHFFFAOYSA-N 309.797 3.351 50 40 DGGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(Cl)s1 8783604 RJIGNGBETLTLMT-CYBMUJFWSA-N 303.774 3.202 50 40 DGGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)ccc1O 20195394 FKBDKZYHHLJZRL-HMMYKYKNSA-N 310.397 3.400 50 40 DGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100064530 WJZYVSLLOSZEAC-IYUBUEOQSA-N 315.373 3.066 50 40 DGGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 5381632 XDZPYURXOUIULQ-AKOHYNGRSA-N 323.352 3.239 50 40 DGGB COc1cccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 5381629 ONZVLLJDILZDAB-POBWEVHBSA-N 308.381 3.339 50 40 DGGB CCc1cc(C)cc(OCC(=O)N/N=C\c2sccc2C)c1 408999559 LRIUGFGQSPGMGZ-ZDLGFXPLSA-N 316.426 3.456 50 40 DGGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OCC)c1 35655278 YICIUPSWESFYTE-XNTDXEJSSA-N 316.401 3.306 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1 83261089 GHKRCWSGJZVDCE-FOWTUZBSSA-N 321.332 3.376 50 40 DGGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Cl)c1O 8043295 DGQUYHHBJFZOJO-GIJQJNRQSA-N 318.760 3.127 50 40 DGGB COc1ccc(/N=C(O)/C(C#N)=C/c2cccnc2)c([N+](=O)[O-])c1 4608060 OXIYNLXEAJWMRY-KPKJPENVSA-N 324.296 3.194 50 40 DGGB CC(C)=C[C@@H]1[C@@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1(C)C 53754609 WFHCBPAIAYBUPW-RISCZKNCSA-N 303.362 3.276 50 40 DGGB O=[N+]([O-])c1cccc(OC[C@H](Br)C(F)(F)F)c1 85134553 RDWMBQRNLYZFFH-QMMMGPOBSA-N 314.057 3.299 50 40 DGGB CCO[Si](CCCCO[C@@H]1CCCCO1)(OCC)OCC 575182206 HAQMEFTWXPGHSE-OAHLLOKOSA-N 320.502 3.358 50 40 DGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100064531 WJZYVSLLOSZEAC-RRVPQAPVSA-N 315.373 3.066 50 40 DGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCCCC1 6312780 SYXQHLAUKTYAIB-UHFFFAOYSA-N 318.461 3.321 50 40 DGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 5698423 FRQZVQPHHHZCOQ-GXDHUFHOSA-N 307.309 3.449 50 40 DGGB Cc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] 84190152 RAGGUWRZHSNLTG-ZROIWOOFSA-N 323.356 3.285 50 40 DGGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1 31131 FOLCBJZBFNWPMC-FYJGNVAPSA-N 303.365 3.402 50 40 DGGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3ccc(F)cc3)ccc21 1051530 XEZWFOIJBOAYSC-NTEUORMPSA-N 307.328 3.080 50 40 DGGB C[C@]1(CBr)CSc2sc3ccccc3[n+]21 496147 WACWFMMZDKTJNV-NSHDSACASA-N 301.254 3.405 50 40 DGGB Nc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl 5011950 CJFHGUHLIHPHEN-LSCVHKIXSA-N 308.168 3.340 50 40 DGGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 96663188 IXJQORVZLFBIAB-SOUSCNASSA-N 311.429 3.354 50 40 DGGB CC1=CC(=C(C#N)C#N)C=C(C)N1C[C@@H]1COc2ccccc2O1 6763900 DBYIONCQOFOTAO-QGZVFWFLSA-N 319.364 3.293 50 40 DGGB CCN(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CCl 79414913 CEQFEOLVDJLSRK-INIZCTEOSA-N 308.853 3.128 50 40 DGGB Cc1cc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)c(C)o1 3173173 ALTYVWPDLCVZLZ-QGMBQPNBSA-N 308.284 3.262 50 40 DGGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1Cl 4151137 WTFVEGDLXWRJIU-MBNTZHJCSA-N 302.761 3.258 50 40 DGGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916579 ILYCMGZFMQDAAP-SFHVURJKSA-N 322.364 3.399 50 40 DGGB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(SC#N)cc3)C(=O)[C@H]2C1 104188589 ZZEHRNOHYOWJJX-SWHYSGLUSA-N 300.383 3.185 50 40 DGGB C#CCOc1cccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1 408566629 IDQIVTMPDZRWOA-KGENOOAVSA-N 320.392 3.008 50 40 DGGB COc1ccc(N(CCC#N)C(=O)/C(C#N)=C/c2ccco2)cc1 2353999 LDDJMYJJOGFDEG-WYMLVPIESA-N 321.336 3.142 50 40 DGGB CN1/C(=C(\C#N)C(=O)c2ccc(C#N)cc2)Nc2ccccc21 11617379 CSBFVOKXQSTRMX-NBVRZTHBSA-N 300.321 3.038 50 40 DGGB Cc1ccc(C)c(OCC(=O)N/N=C/C=C/c2ccco2)c1C 12844019 GNPYZUVFGIHSSQ-CMHRUIPMSA-N 312.369 3.399 50 40 DGGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1OC 33320374 YYERFGXYCAJZQS-ODLFYWEKSA-N 324.336 3.214 50 40 DGGB O=C(NNc1ccc(F)c(F)c1F)c1cc(F)ccc1F 60381962 NGQLJNNATLKCJR-UHFFFAOYSA-N 302.202 3.139 50 40 DGGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)NC)c2c1 408773853 TYIZUYZKROXBNY-UVTDQMKNSA-N 324.380 3.290 50 40 DGGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2ccccn2)o1 408989118 HAPXKYUPGILKFC-PKNBQFBNSA-N 300.339 3.296 50 40 DGGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)ccc1O 3526473 PYYQWGXRFZXVLQ-VGOFMYFVSA-N 315.167 3.013 50 40 DGGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 4703158 UMSKSJQRCSCJJT-DEDYPNTBSA-N 323.396 3.073 50 40 DGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)Nc2ccccc2)c1 8111267 GGFFJPSGBYPNCC-UDWIEESQSA-N 310.357 3.191 50 40 DGGB Fc1c(F)c(F)c(CI)c(F)c1F 71254632 AQKQNUNUFNYQFB-UHFFFAOYSA-N 307.987 3.317 50 40 DGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1 2165575 WJPWBGIOKZGMEA-VCHYOVAHSA-N 318.760 3.121 50 40 DGGB CCCCCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1 2744431 SOJHWUCNSZTLNH-PKNBQFBNSA-N 307.375 3.260 50 40 DGGB O=C(NNc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 45481004 DGNUNXWHGYLYFI-UHFFFAOYSA-N 324.258 3.191 50 40 DGGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc12 47219354 GRLBNQZGYPFNMB-NTCAYCPXSA-N 306.365 3.378 50 40 DGGB C=CCOc1ccc(/C(C)=N\NC(=O)Cc2ccccc2)cc1 408739485 WSJDGNVSYFALCD-HKWRFOASSA-N 308.381 3.334 50 40 DGGB N#CC1=C(N)Oc2c(ccc3c(O)cccc23)[C@@H]1c1cccnc1 494390 IVYPICHOTBYPAD-KRWDZBQOSA-N 315.332 3.159 50 40 DGGB N#CC(C#N)=C(N)CSc1ncc(C(F)(F)F)cc1Cl 4002565 JTMYGTUDDVLGCV-UHFFFAOYSA-N 318.711 3.106 50 40 DGGB N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 33595599 QROWZXAGPXPXCF-SDQBBNPISA-N 311.253 3.273 50 40 DGGB Cc1cc2c(cc1C)N([C@@H](C(=O)NN)C(C)C)C(C)(C)C[C@@H]2C 223214743 SXTGUDHBZCKVPI-WMLDXEAASA-N 317.477 3.410 50 40 DGGB CCOC(=O)/C(C#N)=C/c1c(OCC#N)ccc2ccccc12 408921180 ALHHPTTWSWWTCU-SDNWHVSQSA-N 306.321 3.212 50 40 DGGB CCn1ncc(/C=N/NC(=O)c2csc3ccccc23)c1C 372746 TWVYSMOHNATQJB-CAOOACKPSA-N 312.398 3.190 50 40 DGGB CSc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 4544636 NIBINQBYJHIOSI-VXLYETTFSA-N 313.357 3.183 50 40 DGGB Cc1ccccc1NC(=S)NNC(=O)c1ccc(Cl)cc1 5274168 UAFKPEAFUIYEHJ-UHFFFAOYSA-N 319.817 3.280 50 40 DGGB CCOc1cc(C(=O)N/N=C/C(C)C)cc(OCC)c1OCC 5474979 JFXNUXAUDBLZJP-WOJGMQOQSA-N 322.405 3.254 50 40 DGGB COc1cccc(/C=N/NC(=O)CSCc2ccccc2)c1 59502740 ZSACYTCPHXPNCL-WOJGMQOQSA-N 314.410 3.079 50 40 DGGB Cc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)o1 409036431 RJQUFPOBHZTZOT-LZYBPNLTSA-N 321.174 3.423 50 40 DGGB