smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)/C(C#N)=C(\Nc1ccc(C(=O)OCC)cc1)SC 3126220 SQLSVFKUDGYBPO-BUHFOSPRSA-N 334.397 2.936 50 30 EFGC O=C(CBr)CCCCS(=O)(=O)Nc1ccccc1 223565253 UGWJUKAUMKDATG-UHFFFAOYSA-N 334.235 2.563 50 30 EFGC O=S(=O)(Nc1ccccn1)c1ccc(CBr)cc1 88246537 AVPNWRLCEPOALR-UHFFFAOYSA-N 327.203 2.777 50 30 EFGC CN(C)c1c(C=C(C#N)C#N)cc(C=C(C#N)C#N)c(N(C)C)c1C#N 95704691 HHIWNVDYOPYXKC-UHFFFAOYSA-N 341.378 2.551 50 30 EFGC O=C(NNC(=O)c1ccccc1CO)c1ccc(Cl)c(Cl)c1 164948 GQSPYSVJPMYLRG-UHFFFAOYSA-N 339.178 2.561 50 30 EFGC CCOC(=O)OC(=O)C[C@@H]1NCCc2c1n(CC)c1ccccc21 141822093 DJBCXILSQMSBPW-AWEZNQCLSA-N 330.384 2.938 50 30 EFGC CCOC(=O)N/N=C(\C)c1ccc(/C(C)=N/NC(=O)OCC)cc1 4389510 JYIPIFIUTNMNPW-JYFOCSDGSA-N 334.376 2.627 50 30 EFGC Cc1cc(S(=O)(=O)Oc2ccccc2)c(N=C=O)cc1N=C=O 103824402 YOYNLXLKRDWFKJ-UHFFFAOYSA-N 330.321 2.697 50 30 EFGC C=CCN/C(SCC(=O)c1ccccc1)=C(\C#N)C(=O)OCC 3138718 VTSKIFWIGTWUSY-PEZBUJJGSA-N 330.409 2.676 50 30 EFGC O=C(NNC(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1 77466 VXHHYFWZBUNMGN-UHFFFAOYSA-N 343.692 2.829 50 30 EFGC CC[C@H](C(=O)NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1 2160929 WTICEXFOCYVDKN-KRWDZBQOSA-N 325.412 2.707 50 30 EFGC CC[C@H](C)N/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 20442230 ZKBRUZRQDUCGRN-YWEFTTLKSA-N 343.246 2.976 50 30 EFGC Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2)cnn1-c1ccccc1 154411 NXSPIVTYUQAVFI-KEBDBYFISA-N 339.786 2.872 50 30 EFGC Cc1nc(C)c(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)s1 120241 YZULLKIHFFTCNU-UHFFFAOYSA-N 343.330 2.854 50 30 EFGC COc1ccc([C@]2(O)NC(C(F)(F)F)=NC(SC)=C2C#N)cc1 124490 MLEGNDMZVWKUCS-CYBMUJFWSA-N 343.330 2.502 50 30 EFGC CC(=NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccco1 256016129 ZNXMFYBVZMIYLG-UHFFFAOYSA-N 339.273 2.777 50 30 EFGC CCOC(=O)/C(C#N)=C/Nc1cnc(N(C)C)c(C(F)(F)F)c1 20230154 MSEPTYJTPGDZON-VQHVLOKHSA-N 328.294 2.549 50 30 EFGC CC[C@@H](C(=O)NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1 2160931 WTICEXFOCYVDKN-QGZVFWFLSA-N 325.412 2.707 50 30 EFGC COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)C(C)(C)C 125876 YMXNGSCUHAJUSI-CMDGGOBGSA-N 328.415 2.525 50 30 EFGC O=C(CCc1ccc(O)cc1)N/N=C/c1coc2ccccc2c1=O 75041 TTYAJTCHBAXHGP-RGVLZGJSSA-N 336.347 2.582 50 30 EFGC O=C(NNC(=O)c1cncc(C#Cc2ccccc2)c1)c1ccccc1 170260 LDTIGDXEYFHGTF-UHFFFAOYSA-N 341.370 2.556 50 30 EFGC Cc1ccc(-n2cccc2/C=C(\C#N)S(C)(=O)=O)c([N+](=O)[O-])c1 113030 IYTLYCBAZGLSLP-UKTHLTGXSA-N 331.353 2.603 50 30 EFGC C[C@]12CC[C@@H]3[C@@H]4CC/C(=N/NC(N)=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2O 2265351418 JEQGSHOIKRBRPK-HLZOCTAYSA-N 331.460 2.944 50 30 EFGC N#CC(N)=C(C#N)N=Cc1coc2c(Cl)cc(Cl)cc2c1=O 2265272028 IMLWIKDYGOGDFM-UHFFFAOYSA-N 333.134 2.736 50 30 EFGC N#C/C(=C\Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 149274 TTYMXWJHGBTQSO-ZRDIBKRKSA-N 348.405 2.770 50 30 EFGC Cc1ccc(N(C(=O)CCCl)[C@@H]2C=CS(=O)(=O)C2)cc1C 71372533 CBTPDHJCXJMPRK-CQSZACIVSA-N 327.833 2.576 50 30 EFGC in-vitro O=C(NNC(=O)c1csc(-c2cccnc2)n1)Nc1ccccc1 172309 MRJAABNUWXZECP-UHFFFAOYSA-N 339.380 2.672 50 30 EFGC COc1ccc(C(=O)NNC(=S)Nc2ccccc2Cl)cc1 67305 FYBRLFAAPKSNPT-UHFFFAOYSA-N 335.816 2.980 50 30 EFGC CN1CCN(C[C@@]23C[C@@H]4C[C@@H](C[C@@H](C4)C2)[C@H]3Br)CC1 604934855 ATPIAAMSFOCALK-JKJDWNRSSA-N 327.310 2.824 50 30 EFGC Cc1ccc([N+](=O)[O-])c(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 68085 YCINHCRTFHTKFU-WOJGMQOQSA-N 326.356 2.733 50 30 EFGC CCOC(OCC)c1ccc(C=C(C#N)C(=O)N=CN(C)C)cc1 2265271926 INIZUGMKKCFKIZ-UHFFFAOYSA-N 329.400 2.782 50 30 EFGC O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1CO 164924 JBSSHKWUJFQYBT-CNHKJKLMSA-N 339.178 2.955 50 30 EFGC Cc1cc(NNC(=O)c2ccccc2Cl)nc2c1c(C)nn2C 126319 ADBXWUZSROZWFH-UHFFFAOYSA-N 329.791 2.995 50 30 EFGC N#CC1=Cc2ccccc2[C@H]2NN3C(C#N)=Cc4ccccc4[C@@H]3NN12 13467474 IIASDSUEUUBJJH-BGYRXZFFSA-N 338.374 2.767 50 30 EFGC COc1ccc(-c2cc(C(=O)NN)c3ccc(C)cc3n2)cc1OC 160866 VXXIMJKZHYLXMI-UHFFFAOYSA-N 337.379 2.831 50 30 EFGC NC(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1 33606227 LUQQESVFZAPODX-UHFFFAOYSA-N 348.196 2.942 50 30 EFGC COc1cscc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 126554 WRVWIEVGBCYOMT-UHFFFAOYSA-N 344.314 2.850 50 30 EFGC Cc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1 77601 FTLGCMZAVRVRRB-UHFFFAOYSA-N 347.680 2.730 50 30 EFGC CCOC(=O)c1sc(SC)nc1NC(=O)C(Cl)Cl 81650 KXDCUKZWJULSMC-UHFFFAOYSA-N 329.230 2.784 50 30 EFGC O=C(CSCc1cccc2ccccc12)NNC(=O)C(F)(F)F 4336247 AHONJARRZOIIEF-UHFFFAOYSA-N 342.342 2.783 50 30 EFGC O=C(NNC(=O)c1ccccc1F)c1ccc(OC(F)(F)F)cc1 122493 KYJKLTIJVIKVFA-UHFFFAOYSA-N 342.248 2.799 50 30 EFGC COc1ccc2c3c1O[C@@H]1[C@@H](SC#N)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 299803563 YOHUSUMHNADSOZ-UPCNGNSLSA-N 342.464 2.947 50 30 EFGC O=C1OC(=O)c2ccccc2C1=NNc1ccc(Cl)c(C(=O)O)c1 602987145 YPTPJVTZSGDTLX-UHFFFAOYSA-N 344.710 2.551 50 30 EFGC O=C(NNC(=O)c1cccc2ccccc12)c1ccc2nsnc2c1 155744 KCKSEUFXHASUHC-UHFFFAOYSA-N 348.387 2.919 50 30 EFGC Cc1nc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cs1 120939 ARUQEWOHEIUHCP-UHFFFAOYSA-N 329.303 2.545 50 30 EFGC CC(C)(C)c1cc(CCC(=O)OC(=O)CO)cc(C(C)(C)C)c1O 223480105 IZWDHAQXFCKOKX-UHFFFAOYSA-N 336.428 2.982 50 30 EFGC CC(=O)NNC(=O)c1c(-n2c(C)ccc2C)sc2c1CCCC2 116504 NZKANTFIWFNVLQ-UHFFFAOYSA-N 331.441 2.815 50 30 EFGC O=C1COc2c(cc(OCc3ccccc3)cc2[C@@H](O)CCl)N1 114092676 XEOFGWFROZZMSV-HNNXBMFYSA-N 333.771 2.869 50 30 EFGC Cn1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cs2)n1 80504 HQBYNZPEBQWOIF-XBXARRHUSA-N 337.202 2.790 50 30 EFGC O=C(O)C[C@H](Br)C(=O)c1ccc(Br)cc1 75769062 YCFPBUQIMAENQR-QMMMGPOBSA-N 335.979 2.870 50 30 EFGC Cn1cccc1C1=C(C#N)[C@@H](c2ccc(C#N)cc2)C(C#N)=C(N)O1 142164 JTCDHBLRKDDUBV-QGZVFWFLSA-N 327.347 2.639 50 30 EFGC Cc1nn(C)c(NNC(=O)c2c(Cl)cccc2Cl)c1[N+](=O)[O-] 4323891 VIVHYFZQWACWJJ-UHFFFAOYSA-N 344.158 2.700 50 30 EFGC CN(NC(=O)c1ccccc1C(=O)O)c1cc(C(F)(F)F)ccn1 109758 DVDASJAWOSCXFO-UHFFFAOYSA-N 339.273 2.580 50 30 EFGC COc1ccc([C@@]2(O)NC(C(F)(F)F)=NC(SC)=C2C#N)cc1 124493 MLEGNDMZVWKUCS-ZDUSSCGKSA-N 343.330 2.502 50 30 EFGC Cc1nc(C(=O)NNC(=O)c2ccccc2Cl)c(C(F)(F)F)o1 77595 CFJZDSDGYJXYMB-UHFFFAOYSA-N 347.680 2.730 50 30 EFGC O=C(NN=Cc1cccn1Cc1cnc(Cl)s1)c1ccncc1 254384288 MBEQVULYZQPWOE-UHFFFAOYSA-N 345.815 2.805 50 30 EFGC CCOC(=O)CN/C(SC)=C(/C#N)C(=O)c1ccc(Cl)cc1 4344742 OIBABBDASJHPLG-NTCAYCPXSA-N 338.816 2.774 50 30 EFGC NNC(=O)c1oc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N 159881 FBUDYVBCFBOROO-UHFFFAOYSA-N 334.335 2.941 50 30 EFGC NC(=O)N/N=C/c1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 138521 ILAVOLCZGILKLB-NGYBGAFCSA-N 342.233 2.876 50 30 EFGC N#CC1=Cc2ccccc2[C@@H]2NN3C(C#N)=Cc4ccccc4[C@@H]3NN12 4370262 IIASDSUEUUBJJH-WOJBJXKFSA-N 338.374 2.767 50 30 EFGC N#CC(C#N)=Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccn2)cc1 96204 BWJKUTFLBYLNLE-LICLKQGHSA-N 346.371 2.851 50 30 EFGC COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(C#N)cc1 80350 IVNIOEPZNNUFOG-XNTDXEJSSA-N 331.331 2.891 50 30 EFGC CCOC(=O)/C(C#N)=C/Nc1nc2ccc(C(=O)OCC)cc2s1 78815 DEJZWENCPKQWLS-PKNBQFBNSA-N 345.380 2.855 50 30 EFGC Cc1cc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)nc(C)n1 4344708 NQCIWVZXQAWJKZ-NTEUORMPSA-N 348.815 2.998 50 30 EFGC Cc1cc(NNC(=O)c2ccc(Cl)cc2)nc2c1c(C)nn2C 126050 KLDRMKGCGPABOL-UHFFFAOYSA-N 329.791 2.995 50 30 EFGC Cc1cc(C=NNC(=O)c2cccs2)c(C)n1-c1cnccn1 254819461 RZCZPZKKVMQBGO-UHFFFAOYSA-N 325.397 2.710 50 30 EFGC COP(=O)(OC)[C@@H](OC(=O)CCl)C(Cl)(Cl)Cl 1854624 AHAAWQBSARNIMQ-RXMQYKEDSA-N 333.919 2.951 50 30 EFGC O=C(O)C[C@@H](Br)C(=O)c1ccc(Br)cc1 75769060 YCFPBUQIMAENQR-MRVPVSSYSA-N 335.979 2.870 50 30 EFGC Cc1cccc(C)c1NC(=S)NNC(=O)CCc1ccc(O)cc1 67459 RQZAHWSNOASZKE-UHFFFAOYSA-N 343.452 2.959 50 30 EFGC CC(C)(C)c1ccc(C(=O)NNC(=S)NCc2ccco2)cc1 13658482 NZIBFGFCZNJQMY-UHFFFAOYSA-N 331.441 2.886 50 30 EFGC Cn1cccc1C1=C(C#N)[C@H](c2ccc(C#N)cc2)C(C#N)=C(N)O1 142166 JTCDHBLRKDDUBV-KRWDZBQOSA-N 327.347 2.639 50 30 EFGC N#CC(C#N)=CNc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 166678 BWNBWBZMQVOKEJ-UHFFFAOYSA-N 334.295 2.585 50 30 EFGC N#CC1=Cc2ccccc2[C@H]2NN3C(C#N)=Cc4ccccc4[C@H]3NN12 252428499 IIASDSUEUUBJJH-PMACEKPBSA-N 338.374 2.767 50 30 EFGC Cc1cc(C=NNC(=O)c2ccsc2)c(C)n1-c1cnccn1 254572272 BERJKSIBMKTWET-UHFFFAOYSA-N 325.397 2.710 50 30 EFGC N#C/C(=C\NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 20442175 IJRSZMHOJHZAFL-RVDMUPIBSA-N 333.800 2.663 50 30 EFGC O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])s1 1542910 IDUMOVRJNBNOTR-BIZLIJPVSA-N 336.285 2.587 50 30 EFGC world O=C(NNC(=S)NCc1ccco1)c1ccc(Cl)cc1Cl 124589 VFDJFWAHUZNZAQ-UHFFFAOYSA-N 344.223 2.896 50 30 EFGC Cc1ccccc1NC(=S)NNC(=O)CCc1ccc(O)cc1 67464 ABPLHJUQNHVIGR-UHFFFAOYSA-N 329.425 2.651 50 30 EFGC O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccnc1 136725 JEBOXGHSLDRCJU-UHFFFAOYSA-N 340.330 2.732 50 30 EFGC Cc1cccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 13658016 UGRXHHAOVFCCOU-UHFFFAOYSA-N 330.369 2.535 50 30 EFGC C[C@]12CC[C@@H]3[C@@H]4CC/C(=N/NC(N)=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2O 2265351420 JEQGSHOIKRBRPK-NWLMWROCSA-N 331.460 2.944 50 30 EFGC CCOC(=O)/C(C#N)=C1\SC[C@@](C)(O)N1c1c(F)cccc1F 12368123 BJTHBYCGUBSWKK-UZGISAJGSA-N 340.351 2.525 50 30 EFGC CC(C)(C)S(=O)(=O)/C(C#N)=C/c1sccc1C1OCCO1 107534 KKJYAGFAXWHDOK-CSKARUKUSA-N 327.427 2.871 50 30 EFGC CCOC(=O)/C(C#N)=C1\SC[C@](C)(O)N1c1c(F)cccc1F 12368122 BJTHBYCGUBSWKK-CTXBLAANSA-N 340.351 2.525 50 30 EFGC Cc1cc(C)c2c(N)c(C(=O)N/N=C/c3cccnc3)sc2n1 159142 QCMBCCNJTMMVJD-UFWORHAWSA-N 325.397 2.654 50 30 EFGC CCOC(=O)[C@@H](Br)[C@@H](Br)C(F)(F)F 59173700 ZYEFQQDGFOQJPI-IUYQGCFVSA-N 327.922 2.639 50 30 EFGC C/C(NNc1ncc(C(F)(F)F)cc1Cl)=C(/C#N)C(N)=S 126770 UEPRBESPXASJRY-FNORWQNLSA-N 335.742 2.754 50 30 EFGC O=C(NNC(=O)C(F)(F)Sc1ccccc1)c1ccsc1 74512 YHAGYACJMAXYGU-UHFFFAOYSA-N 328.365 2.894 50 30 EFGC O=C(CBr)c1ccc(S(=O)(=O)C(F)(F)F)cc1 231509637 BIJQLINHDVZIAK-UHFFFAOYSA-N 331.109 2.558 50 30 EFGC COCCOCCOc1ccc([N+](=O)[O-])cc1CBr 70481239 KHSBROABSAXAIY-UHFFFAOYSA-N 334.166 2.532 50 30 EFGC N#C/C(=C\NCc1cccnc1)S(=O)(=O)Cc1ccc(Cl)cc1 20442351 KXYFGWORUCDRDG-LFIBNONCSA-N 347.827 2.805 50 30 EFGC CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)C(C)(C)C)c(F)c1C#N 107750 AMHADMFVFUZCPD-XYOKQWHBSA-N 335.404 2.841 50 30 EFGC O=C(NNC(=O)c1cccc2ccccc12)c1ccc2nccnc2c1 155747 XYXNPVKYBMBQFK-UHFFFAOYSA-N 342.358 2.858 50 30 EFGC COC(=O)/C(C#N)=C/c1cc(C(=O)OC)n(-c2ccc(Cl)cc2)c1 113123 QQOIIUSZZHASBZ-KPKJPENVSA-N 344.754 2.997 50 30 EFGC COc1ccccc1NC(=S)NNC(=O)c1ccccc1Cl 67680 NCZXJUROYHDEPW-UHFFFAOYSA-N 335.816 2.980 50 30 EFGC CCOC(=O)[C@H](Br)[C@@H](Br)C(F)(F)F 59173698 ZYEFQQDGFOQJPI-QWWZWVQMSA-N 327.922 2.639 50 30 EFGC COP1(=O)OCC(CBr)(CBr)CO1 111875130 QCKXXSXQSXPTAV-UHFFFAOYSA-N 337.932 2.564 50 30 EFGC Cc1nc2c(C)cccn2c1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 135271 BSFCJALPGGCSDG-VCHYOVAHSA-N 337.339 2.623 50 30 EFGC C=CCNc1nc(C(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])o2)cs1 4217102 RRYRUSPVJFWMBE-GPHVAQKSSA-N 347.356 2.671 50 30 EFGC in-man CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCl 33885537 QRTZGSGKEWWPRU-AWEZNQCLSA-N 326.824 2.683 50 30 EFGC CN(NC(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4299896 CCSYEOLWJHQYFF-UHFFFAOYSA-N 340.261 2.790 50 30 EFGC CCOC(=O)[C@H](Br)[C@H](Br)C(F)(F)F 59173694 ZYEFQQDGFOQJPI-DMTCNVIQSA-N 327.922 2.639 50 30 EFGC C[C@]12CC[C@@H]3[C@@H]4CC/C(=N/NC(N)=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2O 2265351419 JEQGSHOIKRBRPK-HRZSQVLJSA-N 331.460 2.944 50 30 EFGC COc1ccccc1B(OOCC1CCC1)OC(C)(C)C(C)(C)O 604936275 ZHXUKNQBNGDBLZ-UHFFFAOYSA-N 336.237 2.705 50 30 EFGC Cc1nc(C(=O)NNC(=O)c2cccc(Cl)c2)c(C(F)(F)F)o1 77599 SKTQWXALPWUTCU-UHFFFAOYSA-N 347.680 2.730 50 30 EFGC CC(C)(C)S(=O)(=O)/C(C#N)=C/N/N=C/c1ccccc1Cl 2150658 NUILUFOIGTXJEG-ZZQRRNIXSA-N 325.821 2.842 50 30 EFGC CC(C)(C)S(=O)(=O)/C(C#N)=C/N=[S@@](C)(=O)c1ccccc1 100218348 NTRGZYMZXYJKRB-RPAADVPWSA-N 326.443 2.722 50 30 EFGC CCOC(=O)/C(C#N)=C/Nc1ccc2oc3ncccc3c(=O)c2c1 90640 PQFPJYNXZDKYMY-ZHACJKMWSA-N 335.319 2.724 50 30 EFGC Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1cccs1 66348 TTYKWACOQTXUDE-UHFFFAOYSA-N 329.303 2.545 50 30 EFGC COP(=O)(OC)[C@H](OC(=O)CCl)C(Cl)(Cl)Cl 1854622 AHAAWQBSARNIMQ-YFKPBYRVSA-N 333.919 2.951 50 30 EFGC O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1nc(-c2cccs2)no1 3119838 HDLMCOXIGISUAP-AWNIVKPZSA-N 349.353 2.532 50 30 EFGC CC1(C)O[C@H]2[C@H](OCCO[Si](C)(C)C(C)(C)C)C[C@H](N)[C@H]2O1 214483980 UGMXRTTVIZNRAK-DGAVXFQQSA-N 331.529 2.645 50 30 EFGC O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1cccs1 3126396 PTHXBTZWCOEMOS-CXUHLZMHSA-N 333.438 2.570 50 30 EFGC CN(NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4299892 OHCJNLHVXORJKQ-UHFFFAOYSA-N 331.172 2.643 50 30 EFGC COC(=O)c1cc(Br)cc(C(=O)CBr)c1 2265384784 YECRQDRXBUFAIX-UHFFFAOYSA-N 335.979 2.813 50 30 EFGC CC[C@@H](C)N/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 20442225 ZKBRUZRQDUCGRN-QQMDNXKGSA-N 343.246 2.976 50 30 EFGC O=C(NNC1=Nc2ccccc2SC1)c1cccc([N+](=O)[O-])c1 160417 SEUBULKBJSPKHQ-UHFFFAOYSA-N 328.353 2.665 50 30 EFGC CCOC(=O)OC(=O)C[C@H]1NCCc2c1n(CC)c1ccccc21 141822314 DJBCXILSQMSBPW-CQSZACIVSA-N 330.384 2.938 50 30 EFGC Cc1ccc(O)c(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c1 172627 PLAAMKNTKSZWSY-UHFFFAOYSA-N 335.816 2.985 50 30 EFGC C[C@]12CC[C@@H]3[C@@H]4CC/C(=N/NC(N)=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2O 2265351421 JEQGSHOIKRBRPK-RACLXFIXSA-N 331.460 2.944 50 30 EFGC CCOC(=O)/C(C#N)=C/N/C(=N\N=C(/C)c1ccc(F)cc1)SC 4300238 DKMGYNMPFXONTP-WUBIALHOSA-N 348.403 2.829 50 30 EFGC CC(C)(C)N/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 20442236 LHVPGWHSCURVJO-FMIVXFBMSA-N 343.246 2.976 50 30 EFGC CN(C)n1cccc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 126612 HCXNJVHGPIZWRV-XNTDXEJSSA-N 335.816 2.677 50 30 EFGC O=C(CCc1ccc(O)cc1)NNC(=S)Nc1ccccc1Cl 67462 NSQCPJVKDQUTAT-UHFFFAOYSA-N 349.843 2.996 50 30 EFGC Cc1ccc(S(=O)(=O)NNC(=O)c2scc(C)c2Cl)cc1 82108 CLASFCCSGNRRBX-UHFFFAOYSA-N 344.845 2.642 50 30 EFGC Cc1cc(N/C=C(\C#N)S(=O)(=O)c2ccccc2Cl)nc(C)n1 2158460 PGYLOXNUROQJQG-FMIVXFBMSA-N 348.815 2.998 50 30 EFGC CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2N)cc1 220795190 PEGIDOPBCAMQTR-UHFFFAOYSA-N 327.384 2.523 50 30 EFGC COC(=O)c1sccc1-c1ccc(/C=C(\C#N)S(C)(=O)=O)o1 107838 FRNGEXOLWFPZHB-JXMROGBWSA-N 337.378 2.704 50 30 EFGC CCOC(=O)[C@@H](Br)[C@H](Br)C(F)(F)F 59173696 ZYEFQQDGFOQJPI-IMJSIDKUSA-N 327.922 2.639 50 30 EFGC CC(=O)OCc1ccc(/C=C(\C#N)S(=O)(=O)c2cccs2)o1 125883 OZWVGUPYXSPBFU-NTUHNPAUSA-N 337.378 2.743 50 30 EFGC Cc1ccc(N(C(=O)CCCl)[C@H]2C=CS(=O)(=O)C2)cc1C 71372531 CBTPDHJCXJMPRK-AWEZNQCLSA-N 327.833 2.576 50 30 EFGC in-vitro COc1cccc(-c2csc(NNC(=O)c3ccncc3)n2)c1 131396 VRVOOFPGUBUBDG-UHFFFAOYSA-N 326.381 2.971 50 30 EFGC CC(C)(C)S(=O)(=O)/C(C#N)=C/N=[S@](C)(=O)c1ccccc1 13466130 NTRGZYMZXYJKRB-VSFZPWCASA-N 326.443 2.722 50 30 EFGC COP(=O)(OC)OC[C@H](Br)CBr 2558047 LLXYHTKVLGMPBV-RXMQYKEDSA-N 325.921 2.562 50 30 EFGC CC(C)(O)C(C)(C)OB(OOCC1CC1)c1ccc(F)c(F)c1 604936272 KJRKLIGGXPLTFN-UHFFFAOYSA-N 328.164 2.584 50 30 EFGC COP(=O)(OC)OC[C@@H](Br)CBr 5998012 LLXYHTKVLGMPBV-YFKPBYRVSA-N 325.921 2.562 50 30 EFGC Cc1cc(C)nc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)n1 3082957 AKBBNUDHZCMUNG-NTEUORMPSA-N 348.815 2.998 50 30 EFGC CN(C)n1cccc1/C=C(\C#N)S(=O)(=O)c1cccc(Cl)c1 148755 XOMQSGOXBBKLIQ-XNTDXEJSSA-N 335.816 2.677 50 30 EFGC N#CC(C#N)=CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4299839 WYJSOBCVGLTCJO-UHFFFAOYSA-N 325.250 2.546 50 30 EFGC CS(=O)(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2n1CCS2 108931 DXMQSSGIOIKBCC-FMIVXFBMSA-N 331.422 2.565 50 30 EFGC O=C(NNC(=O)c1cccs1)c1cncc(C#Cc2ccccc2)c1 170268 BKMTYMWOJSKJQY-UHFFFAOYSA-N 347.399 2.618 50 30 EFGC O=C(NNC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCO2 155743 YUIZPGIXOXCNRX-UHFFFAOYSA-N 334.331 2.643 50 30 EFGC CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1C#N 112408 RDJSHVIHOAITMM-GZTJUZNOSA-N 337.404 2.963 50 30 EFGC CN1CCN(C[C@@]23C[C@@H]4C[C@@H](C[C@@H](C4)C2)[C@@H]3Br)CC1 604934856 ATPIAAMSFOCALK-XFIYOXNOSA-N 327.310 2.824 50 30 EFGC O=C(NNC(=O)c1cnccc1C(F)(F)F)c1cccc(Cl)c1 77498 BTMUULIABXBGIU-UHFFFAOYSA-N 343.692 2.829 50 30 EFGC