smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587838338 BTGSSZUIGOTHKI-OVWNDWIMSA-N 482.762 3.960 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-] 587896141 LJQTVWQCTXEVQU-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1S(=O)(=O)Cl 587897052 ZRLOXFCKEVTOBM-UHFFFAOYSA-N 474.749 3.638 70 1 JHIF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 587361630 WXMNXDAXEKLPEF-SIKLNZKXSA-N 473.865 3.665 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl 587895032 BUMOGFTVTHOSSU-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF CCCCn1cc2c(nc(NC(=O)Nc3ccc(S(=O)(=O)F)cc3)n3nc(-c4ccco4)nc23)n1 43300177 XZCCODAIRFTVIB-UHFFFAOYSA-N 498.500 3.836 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967573 NVBDRROLJPHLMR-GBPMHNOSSA-N 451.894 3.538 70 1 JHIF Cc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1S(=O)(=O)Cl 587895229 DODSRHFRLGSFPY-UHFFFAOYSA-N 481.766 3.909 70 1 JHIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607432 MPHQLKADCUBMBV-REWPJTCUSA-N 480.885 3.843 70 1 JHIF Cn1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2c1S(=O)(=O)Cl 587896446 OXUHDEYGMIKHIJ-UHFFFAOYSA-N 470.765 3.518 70 1 JHIF CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(CCCc2ccc(S(=O)(=O)F)cc2)c1=O 36123977 FBWBTGGYCPTOPB-UHFFFAOYSA-N 476.574 3.635 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 587896296 OHDIWEKKCOKPEI-UHFFFAOYSA-N 467.739 3.601 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628959 GJUNMZJUHIJKRR-IHUDTTQWSA-N 465.465 3.505 70 1 JHIF O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CC2CC2)CC1 217616379 AZVGRTRSJBARJF-UHFFFAOYSA-N 465.575 3.803 70 1 JHIF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)CC2=O 587487230 NIAIMNYQVPLWLO-NRFANRHFSA-N 452.912 3.998 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628950 GJUNMZJUHIJKRR-CJCLCCARSA-N 465.465 3.505 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)OCCCO2 587896652 SOKPASBFNLTWLW-UHFFFAOYSA-N 488.776 3.793 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2[nH]c(O)cc2cc1S(=O)(=O)Cl 587896619 SESKDVOIIQYKLN-UHFFFAOYSA-N 471.749 3.818 70 1 JHIF Cc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(CF)N=C(N)O[C@@H]3C[C@@H]32)c1 217450052 PZAOWJRRCHUWQH-SZEPBZDZSA-N 458.362 3.838 70 1 JHIF CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)cc1 43860829 CHFUTIAFIZJHAE-UHFFFAOYSA-N 465.982 3.749 70 1 JHIF COc1cc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925818 WJPZDTWZRZCQHK-UHFFFAOYSA-N 450.822 3.997 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967565 NVBDRROLJPHLMR-CIAFCOJCSA-N 451.894 3.538 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(F)c1S(=O)(=O)Cl 587893555 XMCFGUJYKMMEDX-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF COC(=O)c1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 587892803 YWANQBAEONQAAD-UHFFFAOYSA-N 492.739 3.557 70 1 JHIF CCOC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 587895286 FBEJGCRQEXFNHV-UHFFFAOYSA-N 488.776 3.808 70 1 JHIF Cn1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1S(=O)(=O)Cl 587896329 OQQFGLVGVTZUPE-UHFFFAOYSA-N 470.765 3.518 70 1 JHIF CC[C@@]1(c2nc(C)c(S(=O)(=O)Cl)s2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974483 WRULJQMYNVNUJK-QLJPJBMISA-N 471.334 3.563 70 1 JHIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587838336 BTGSSZUIGOTHKI-DGIBIBHMSA-N 482.762 3.960 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(S(=O)(=O)Cl)cc1F 587892577 ATMQIINLGRGQCP-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF CCc1ccc(-c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1S(=O)(=O)Cl 586927154 JQHDBQHHYXMVTC-UHFFFAOYSA-N 455.989 3.750 70 1 JHIF COc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1 217651053 BYDKAYRDAFQMFD-ZMSDIMECSA-N 452.530 3.587 70 1 JHIF COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)c1 218545457 MTRJPXQLQXWSQA-KBXCAEBGSA-N 460.460 3.795 70 1 JHIF O=S(=O)(Cl)c1cc(-c2nc3cc(I)cnc3[nH]2)ccc1Cl 586927644 PVOWTQLAQUJYBW-UHFFFAOYSA-N 454.076 3.810 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc2[nH]cc(S(=O)(=O)Cl)c12 587895266 DUCGEGQIQZHXIX-UHFFFAOYSA-N 456.738 3.508 70 1 JHIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCn4ccnc4C3)cc2)n1 218483853 ZXHJDBIILVKLSU-GHTZIAJQSA-N 461.570 3.843 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(F)cc1S(=O)(=O)Cl 587893599 YULUEBMQVQQPQE-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Cl 587892953 HWOZFVIWESLMKK-UHFFFAOYSA-N 479.700 3.679 70 1 JHIF CC[C@@]1(c2nc(C)c(S(=O)(=O)Cl)s2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974478 WRULJQMYNVNUJK-MGPLVRAMSA-N 471.334 3.563 70 1 JHIF COc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587891946 IKRGRDUEMSSRHY-UHFFFAOYSA-N 464.729 3.779 70 1 JHIF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 587361631 WXMNXDAXEKLPEF-UGKGYDQZSA-N 473.865 3.665 70 1 JHIF COc1cc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925079 LMFLMZUNXYOZQI-UHFFFAOYSA-N 490.719 3.769 70 1 JHIF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926026 DVXKIMABWSKSPM-UHFFFAOYSA-N 462.380 3.841 70 1 JHIF O=S(=O)(O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926182 IMFLDKARTWBZMZ-UHFFFAOYSA-N 486.152 3.820 70 1 JHIF O=C1COc2cc3[nH]c(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)nc3cc2N1 586926822 QTXZVNVIOMNFAI-UHFFFAOYSA-N 477.123 3.904 70 1 JHIF CS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586925959 CGPUDRTZEGZHRD-UHFFFAOYSA-N 484.180 3.977 70 1 JHIF CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl 587896897 WLQLTBKPXZJLDI-UHFFFAOYSA-N 488.776 3.808 70 1 JHIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606921 JOYBROQKXJYYFV-OFNKIYASSA-N 480.885 3.874 70 1 JHIF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 587361628 WXMNXDAXEKLPEF-DENIHFKCSA-N 473.865 3.665 70 1 JHIF O=S(=O)(Cl)c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Cl 586927757 RDMPGNDSDVBNHV-UHFFFAOYSA-N 450.307 3.870 70 1 JHIF COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1 218439796 PMSRTIVUCJNCGM-KBXCAEBGSA-N 460.460 3.795 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c(F)cc1F 587892973 IRINBHSGFWMARN-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF CCCN1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c2)C1 36216535 DDEDFIYGQWYHBZ-GFCCVEGCSA-N 499.451 3.733 70 1 JHIF Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(CC(C)C)CC4)cc3)cccc2o1 217621069 HHAFZBWAIYLKER-UHFFFAOYSA-N 471.579 3.950 70 1 JHIF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1)NCC2 962923662 JAYHXZKVGYLLGU-KRWDZBQOSA-N 462.877 3.505 70 1 JHIF COc1ccc(Cn2c3c(cc(OS(=O)(=O)C(F)(F)F)c2=O)Cc2ccccc2-3)cc1 73295924 HHDCRHGFWHOCQJ-UHFFFAOYSA-N 451.422 3.705 70 1 JHIF O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(CC2CC2)CC1 217635046 AATOZRSRACJYEE-UHFFFAOYSA-N 471.604 3.864 70 1 JHIF CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ocnc34)cc2)CC1 217635702 DIHYPVJFYDNSMU-UHFFFAOYSA-N 457.552 3.642 70 1 JHIF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1)NCC2 962923667 JAYHXZKVGYLLGU-QGZVFWFLSA-N 462.877 3.505 70 1 JHIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606922 JOYBROQKXJYYFV-REWPJTCUSA-N 480.885 3.874 70 1 JHIF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@@H]21 218148497 PAVYSOUZQLFNIW-IRFCIJBXSA-N 454.398 3.832 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(Cl)c(S(=O)(=O)Cl)n2c1 587896904 WSVANZNOGSTERW-UHFFFAOYSA-N 491.183 3.932 70 1 JHIF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587841608 RYKVDAAWGZGGRI-APBUJDDRSA-N 482.762 3.960 70 1 JHIF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 586928099 PVSJPHPYBOZGFZ-UHFFFAOYSA-N 492.406 3.898 70 1 JHIF COc1cc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925066 LGSAHBBPVMEMPR-UHFFFAOYSA-N 459.833 3.989 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628965 GJUNMZJUHIJKRR-PQDLGVTNSA-N 465.465 3.505 70 1 JHIF C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694988 BZLNXDMQDYZOII-DOTOQJQBSA-N 451.825 3.634 70 1 JHIF COc1cc(Cc2nc3cccc(I)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925707 VFWSLGWAIQCRJZ-UHFFFAOYSA-N 492.722 3.703 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967570 NVBDRROLJPHLMR-CTRXVBMJSA-N 451.894 3.538 70 1 JHIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606919 JOYBROQKXJYYFV-NFBKMPQASA-N 480.885 3.874 70 1 JHIF CC(=O)c1ccc2c(c1)[C@H](c1ccccc1OS(=O)(=O)F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632066 RCHSZLRGQKYACR-ICSRJNTNSA-N 493.509 3.818 70 1 JHIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607424 MPHQLKADCUBMBV-NFBKMPQASA-N 480.885 3.843 70 1 JHIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587850116 OZFGCVXASUMCDG-OVWNDWIMSA-N 482.762 3.991 70 1 JHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(OC)c(S(=O)(=O)Cl)c1OC 587918212 HALMUXNAMOHOGM-UHFFFAOYSA-N 499.777 3.621 70 1 JHIF COc1cc(Cc2nc3cc(Br)c(C)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924388 DEEVFTWJOBEWMY-UHFFFAOYSA-N 460.737 3.564 70 1 JHIF COC(=O)c1cc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587892841 FITHPQNMENREFA-UHFFFAOYSA-N 492.739 3.557 70 1 JHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 586927030 TVSIINJKJJMCTC-UHFFFAOYSA-N 472.198 3.941 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)NC(=O)CC2 587894959 AYLVHAYZTASYBV-UHFFFAOYSA-N 485.776 3.516 70 1 JHIF COc1cc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925905 YLJYFWDMICNIEW-UHFFFAOYSA-N 461.721 3.567 70 1 JHIF COc1cc(OC)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896244 NMCRHPQKFWVTKQ-UHFFFAOYSA-N 476.765 3.649 70 1 JHIF O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(S(=O)(=O)F)cc1 1857629606 MUIXMMWLWORMTR-WREZULKGSA-N 489.657 3.750 70 1 JHIF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586928095 YOAIURUWDXXLQE-UHFFFAOYSA-N 462.380 3.841 70 1 JHIF O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc23)cc1)N1CCC(O)(c2ccccc2)CC1 217626489 OVAUFUNGFOPVGF-UHFFFAOYSA-N 488.569 3.554 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cc(S(=O)(=O)Cl)cc1F 587892913 GGGSYDRORHARAP-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF COc1cc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925060 LFNJPEWGVKLDKO-UHFFFAOYSA-N 481.155 3.909 70 1 JHIF Cc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587896084 KVXVWNGSWOREDS-UHFFFAOYSA-N 474.749 3.638 70 1 JHIF O=S(=O)(Cl)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1Cl 586927197 DHVKSUSKGVXVCG-UHFFFAOYSA-N 450.307 3.870 70 1 JHIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587850111 OZFGCVXASUMCDG-DGIBIBHMSA-N 482.762 3.991 70 1 JHIF CN(C)S(=O)(=O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 586925192 MSLBEASCRDQPCM-UHFFFAOYSA-N 468.771 3.715 70 1 JHIF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587850108 OZFGCVXASUMCDG-APBUJDDRSA-N 482.762 3.991 70 1 JHIF COc1cc2c(cc1OC)C1(CCC(S(=O)(=O)Cl)CC1)N(C(=O)c1ccccc1N)CC2 963139529 KJLFASSBRPXUBC-UHFFFAOYSA-N 478.998 3.691 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Cl)c1 587895595 GLWRXFUJPFDTRQ-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF CN1CCN(C2=Nc3ccccc3Sc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 14299683 PZIGTEKDSRHYIT-UHFFFAOYSA-N 457.499 3.705 70 1 JHIF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926628 NMRFQEXFLUBQNC-UHFFFAOYSA-N 462.380 3.889 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c(S(=O)(=O)Cl)c(F)c1 587892595 UXSBTTRKPAGSSC-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF CN(C)S(=O)(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925380 PCZOFBPPIWSOAS-UHFFFAOYSA-N 468.771 3.715 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(S(=O)(=O)Cl)c1)OCC2 587896608 RXLPZYVHDZMSEF-UHFFFAOYSA-N 458.750 3.566 70 1 JHIF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CS(=O)(=O)Cl)c1 587895524 GEKMOPMJKIFOOC-UHFFFAOYSA-N 460.766 3.781 70 1 JHIF CC(=O)c1ccc2c(c1)[C@@H](c1ccccc1OS(=O)(=O)F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632006 RCHSZLRGQKYACR-AZUAARDMSA-N 493.509 3.818 70 1 JHIF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O 587448742 MMWHIUYHXAEASH-KBXCAEBGSA-N 457.729 3.661 70 1 JHIF COc1cc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925355 OSJGONBFTDGKCL-UHFFFAOYSA-N 472.954 3.930 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl 587896269 OAGYYRRYAAHWQQ-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc2c1 586925277 NQVZUIHLIBRIPZ-UHFFFAOYSA-N 459.307 3.538 70 1 JHIF COc1cc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925078 LMEAHNXKDUEYJG-UHFFFAOYSA-N 481.155 3.909 70 1 JHIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587849712 MZVUNQKWLXPGEG-GIGQVBGESA-N 482.762 3.991 70 1 JHIF CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c1 43860927 DMCJCOLNFQEFPH-UHFFFAOYSA-N 465.982 3.749 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)cnc1Cl 587896987 YSVQEDYITKAFGN-UHFFFAOYSA-N 452.146 3.680 70 1 JHIF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O 587448744 MMWHIUYHXAEASH-KSSFIOAISA-N 457.729 3.661 70 1 JHIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O[SiH2]C(C)(C)C)cc1O 195155884 VNBUDGRSRPPDED-IBGZPJMESA-N 472.610 3.998 70 1 JHIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587850114 OZFGCVXASUMCDG-GIGQVBGESA-N 482.762 3.991 70 1 JHIF COC(=O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cn1 586926334 KOANHLXMZPLDPN-UHFFFAOYSA-N 465.112 3.755 70 1 JHIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587838335 BTGSSZUIGOTHKI-APBUJDDRSA-N 482.762 3.960 70 1 JHIF CC(C)CC1(CO)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1 217621855 OZSGXXVDEYWQDY-UHFFFAOYSA-N 482.606 3.691 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 587894932 AJTIUFCMWOUMDZ-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)N1CCOCC1 218150387 ZTCVZCBMANFMHY-HMAPJEAMSA-N 494.555 3.844 70 1 JHIF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)cc1OC 587896901 WOONXRGLAVPUHZ-UHFFFAOYSA-N 476.765 3.649 70 1 JHIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587841609 RYKVDAAWGZGGRI-DGIBIBHMSA-N 482.762 3.960 70 1 JHIF CC(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896678 STJHAXWTGPTIQD-UHFFFAOYSA-N 487.792 3.898 70 1 JHIF COC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894063 QZOBFGYBUANFGD-UHFFFAOYSA-N 492.739 3.557 70 1 JHIF COc1cc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(S(=O)(=O)Cl)c1OC 586924743 IDESKFULARHJCG-UHFFFAOYSA-N 471.244 3.512 70 1 JHIF N[C@@H](CC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 218135667 CUEWKJJLIOZALC-KSSFIOAISA-N 453.411 3.712 70 1 JHIF COc1nc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(OC)n1 43920269 PPMDQRPTBYXURC-UHFFFAOYSA-N 459.442 3.546 70 1 JHIF COc1cc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925283 NUIKYEGPORRBKM-UHFFFAOYSA-N 489.731 3.559 70 1 JHIF CC[C@]1(c2nc(C)c(S(=O)(=O)Cl)s2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974480 WRULJQMYNVNUJK-QFYYESIMSA-N 471.334 3.563 70 1 JHIF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)CC2=O 587487235 NIAIMNYQVPLWLO-OAQYLSRUSA-N 452.912 3.998 70 1 JHIF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)cc1C(=O)O 587896861 VWSHJLFZUSTFKM-UHFFFAOYSA-N 474.749 3.638 70 1 JHIF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587849710 MZVUNQKWLXPGEG-APBUJDDRSA-N 482.762 3.991 70 1 JHIF CC(=O)c1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896903 WOXYDGXIAAGBIC-UHFFFAOYSA-N 458.750 3.834 70 1 JHIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607429 MPHQLKADCUBMBV-OFNKIYASSA-N 480.885 3.843 70 1 JHIF COc1cccc2cc3c(nc12)[C@@](c1cc(S(=O)(=O)F)cn1C)(C(Cl)(Cl)Cl)NCC3 963050702 CRWLXFSBPSPFOH-SFHVURJKSA-N 492.787 4.000 70 1 JHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(I)cnc2[nH]1 586925522 SETQYQBWQRKRJQ-UHFFFAOYSA-N 484.102 3.819 70 1 JHIF Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3ncc(C(F)(F)F)cn3)[C@@H]2C)n1 218361653 RBFKXEHKWIZIKN-WMLDXEAASA-N 457.460 3.761 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@]1(C2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628970 GJUNMZJUHIJKRR-RMBDZISWSA-N 465.465 3.505 70 1 JHIF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)cc1S(=O)(=O)Cl 587893129 MPLUYNVCTCZFGU-UHFFFAOYSA-N 464.729 3.779 70 1 JHIF CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4sc(N)nc34)cc2)CC1 217623812 DWOBOHJJJHTHGQ-UHFFFAOYSA-N 488.635 3.693 70 1 JHIF COc1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587896126 LISUJGBKLSWXNX-UHFFFAOYSA-N 460.766 3.948 70 1 JHIF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O[SiH2]C(C)(C)C)cc1O 195155896 VNBUDGRSRPPDED-LJQANCHMSA-N 472.610 3.998 70 1 JHIF COc1cc(S(=O)(=O)Cl)c(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896157 LMAMVCDQKVHDHK-UHFFFAOYSA-N 476.765 3.649 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1 587896502 QLYIXUUDUKFISE-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF O=[N+]([O-])c1cncc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926571 MPPSBKCFWSPWMG-UHFFFAOYSA-N 452.073 3.877 70 1 JHIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)[C@@]1(C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967575 NVBDRROLJPHLMR-QSJJPRNYSA-N 451.894 3.538 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1Cl 587895736 IDPWNKCFBZAYHP-UHFFFAOYSA-N 495.167 3.983 70 1 JHIF Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587897033 ZMLIEFKZPJVEMO-UHFFFAOYSA-N 474.749 3.638 70 1 JHIF COc1ccc(Cl)cc1C#Cc1cc(OC)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl 587918382 PJIHKZGNWVJMAZ-UHFFFAOYSA-N 469.751 3.612 70 1 JHIF COc1cc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925491 RPLOASWXCJDRNL-UHFFFAOYSA-N 490.719 3.769 70 1 JHIF Cn1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1S(=O)(=O)Cl 587895866 KFTNCNLNSQNOPP-UHFFFAOYSA-N 470.765 3.518 70 1 JHIF O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 42784700 QZPFGFWFHKJBJX-DHZHZOJOSA-N 482.524 3.883 70 1 JHIF [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607426 MPHQLKADCUBMBV-NZQKXSOJSA-N 480.885 3.843 70 1 JHIF CC(=O)C[C@H](c1ccccc1)c1c(OS(=O)(=O)C(F)(F)F)c2ccc(O)cc2oc1=O 43569586 DDCYHYKUMVMBKS-OAHLLOKOSA-N 456.394 3.838 70 1 JHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586924628 GRFANWGFAZJRRG-UHFFFAOYSA-N 480.333 3.879 70 1 JHIF O=S(=O)(Cl)c1ccc(-c2nc3cc(I)cnc3[nH]2)cc1Cl 586927754 JWXRPJKPRGPFID-UHFFFAOYSA-N 454.076 3.810 70 1 JHIF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1 586926806 QKSQJQTZICUNLZ-UHFFFAOYSA-N 465.112 3.755 70 1 JHIF COc1cc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925148 MHPFWMSKKOEEAJ-UHFFFAOYSA-N 470.732 3.733 70 1 JHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586928008 NTLQDNFCOLHQMZ-UHFFFAOYSA-N 456.351 3.652 70 1 JHIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587849711 MZVUNQKWLXPGEG-DGIBIBHMSA-N 482.762 3.991 70 1 JHIF C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694999 BZLNXDMQDYZOII-RDJZCZTQSA-N 451.825 3.634 70 1 JHIF COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 586925992 DBAUNIIJCJIPPP-UHFFFAOYSA-N 465.112 3.755 70 1 JHIF O=[N+]([O-])c1cnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 586926035 FMJYCTQXUKQFQQ-UHFFFAOYSA-N 452.073 3.877 70 1 JHIF COc1cc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(S(=O)(=O)Cl)c1OC 586924706 HJRXZKMCTFPYKW-UHFFFAOYSA-N 496.928 3.874 70 1 JHIF Cn1nc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1S(=O)(=O)Cl 587896920 XFHOQVFFEFNTHF-UHFFFAOYSA-N 470.765 3.518 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)c(C(=O)O)cc1S(=O)(=O)Cl 587896439 OVRPWIQTSHCAJM-UHFFFAOYSA-N 495.167 3.983 70 1 JHIF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H](N3CCCC3)CCC[C@@H]21 218148411 PAVYSOUZQLFNIW-ZJOUEHCJSA-N 454.398 3.832 70 1 JHIF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587841610 RYKVDAAWGZGGRI-GIGQVBGESA-N 482.762 3.960 70 1 JHIF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2c1 586927895 TWKUAFBJZVCSCI-UHFFFAOYSA-N 455.989 3.798 70 1 JHIF C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)[C@@H](O)c1ccccc1 218627355 ILKBYOWTWQVVFF-IVCQMTBJSA-N 478.549 3.932 70 1 JHIF C=CCN1C(=O)[C@@]2(O[C@@H](CCO)[C@H]([Si](C)(C)F)[C@H]2C)c2cc(N3CCCCC3=O)ccc21 196991955 KOUFXVQRKAJODH-NAJWIKHUSA-N 460.622 3.894 70 1 JHIF COc1cc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924312 AFZJNCKAMZGSAF-UHFFFAOYSA-N 450.822 3.997 70 1 JHIF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1S(=O)(=O)Cl 587895115 CPMFGXIVDCVLBG-UHFFFAOYSA-N 475.737 3.848 70 1 JHIF COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587895553 GIXIBIAIEINNJA-UHFFFAOYSA-N 490.792 3.657 70 1 JHIF COc1cc(Cc2nc3c(C)c(Br)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924315 AHQKQAFXRVWEAQ-UHFFFAOYSA-N 460.737 3.564 70 1 JHIF CC1=C(c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c3c2)NNC(=O)C1 586928459 AHFDKJGQLJLRII-UHFFFAOYSA-N 451.335 3.875 70 1 JHIF O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(/C=C/C(F)F)CC1 217616282 WFMYFFKFOVYPIZ-ZHACJKMWSA-N 487.528 3.824 70 1 JHIF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H](N3CCCC3)CCC[C@H]21 218148583 PAVYSOUZQLFNIW-ZVDOUQERSA-N 454.398 3.832 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(F)c1F 587893590 YOOPKQDUTPPMCZ-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF COc1cc(Cc2nc3ccc(I)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924416 DIHVOVOFAWZTCH-UHFFFAOYSA-N 492.722 3.703 70 1 JHIF CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896188 MCPWDNUBRDCHCJ-UHFFFAOYSA-N 473.765 3.590 70 1 JHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586927739 JOZUZOXRCQUWJW-UHFFFAOYSA-N 455.367 3.571 70 1 JHIF CCOC(=O)c1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587895858 KEXHCCUOEIEGSS-UHFFFAOYSA-N 488.776 3.808 70 1 JHIF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 587361629 WXMNXDAXEKLPEF-KNQAVFIVSA-N 473.865 3.665 70 1 JHIF C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694995 BZLNXDMQDYZOII-NVXWUHKLSA-N 451.825 3.634 70 1 JHIF CC(=O)C[C@@H](c1ccccc1)c1c(OS(=O)(=O)C(F)(F)F)c2ccc(O)cc2oc1=O 43569584 DDCYHYKUMVMBKS-HNNXBMFYSA-N 456.394 3.838 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])cc1F 587892810 DVHPJDMZXYKPLM-UHFFFAOYSA-N 479.700 3.679 70 1 JHIF C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695002 BZLNXDMQDYZOII-WBVHZDCISA-N 451.825 3.634 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Cl)c(S(=O)(=O)Cl)c1 587896759 ULNSEUPRVPQTAD-UHFFFAOYSA-N 452.146 3.680 70 1 JHIF CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1 217623134 WKCVRVPZHIXDQS-UHFFFAOYSA-N 482.606 3.834 70 1 JHIF COc1ccc2c(c1OS(=O)(=O)C(F)(F)F)COCc1cc(OC)c(OC)c(OC)c1-2 147908998 JYFGIACZMDHOCH-UHFFFAOYSA-N 464.414 3.647 70 1 JHIF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 587896977 YKBOSRHFYKJDBU-UHFFFAOYSA-N 475.737 3.848 70 1 JHIF COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc5n[nH]nc5c4)ccc3C)cnc2[nH]1 217031624 HVWKZFASMIEDAH-UHFFFAOYSA-N 455.478 3.794 70 1 JHIF COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587893069 LLFGVTPUCQGQSN-UHFFFAOYSA-N 492.739 3.557 70 1 JHIF [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606920 JOYBROQKXJYYFV-NZQKXSOJSA-N 480.885 3.874 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2cc(S(=O)(=O)Cl)cn2)cc1 587895092 CLLZIIWFQHGQMR-UHFFFAOYSA-N 482.776 3.817 70 1 JHIF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587838337 BTGSSZUIGOTHKI-GIGQVBGESA-N 482.762 3.960 70 1 JHIF O=C(/C=C\c1ccccc1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1 42784684 QZPFGFWFHKJBJX-FLIBITNWSA-N 482.524 3.883 70 1 JHIF CC[C@]1(c2nc(C)c(S(=O)(=O)Cl)s2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974433 WRULJQMYNVNUJK-HWPZZCPQSA-N 471.334 3.563 70 1 JHIF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=[N+]=[N-])C=Cc1c2cccc1S(=O)(=O)Cl 587849713 MZVUNQKWLXPGEG-OVWNDWIMSA-N 482.762 3.991 70 1 JHIF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586927980 VJJSUOQXGAGMCB-UHFFFAOYSA-N 462.380 3.889 70 1 JHIF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 586927845 KXEHMPOBXRNOMV-UHFFFAOYSA-N 492.406 3.850 70 1 JHIF COc1cc(C(=O)N2CC[C@H]2c2noc(-c3cccc(Cl)c3OC)n2)c(-n2nccn2)cc1C 218118139 JTRBZPNNQMWVFP-KRWDZBQOSA-N 480.912 3.884 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F 587892963 IFLGETXPFPYKKF-UHFFFAOYSA-N 479.700 3.679 70 1 JHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586928233 RUKIVPIROBRXDS-UHFFFAOYSA-N 467.334 3.575 70 1 JHIF CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 587896820 VJQYEKYBFGOIBF-UHFFFAOYSA-N 488.776 3.808 70 1 JHIF CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 587896869 WAYWVMHXQJJERZ-UHFFFAOYSA-N 459.782 3.697 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(Cl)n1 587896112 LEKQJTMRFPFUNI-UHFFFAOYSA-N 452.146 3.680 70 1 JHIF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNC(C)(C)C3)cc2)n1 218481335 IABDWAJMKBNPNA-GHTZIAJQSA-N 452.603 3.815 70 1 JHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 586926010 DKEJYDNXTHLUNI-UHFFFAOYSA-N 474.127 3.549 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 587896070 KRQVKPZSLBZNTG-UHFFFAOYSA-N 461.710 3.540 70 1 JHIF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c1ccccc12 587841611 RYKVDAAWGZGGRI-OVWNDWIMSA-N 482.762 3.960 70 1 JHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)ccc(S(=O)(=O)Cl)c1F 587894579 PTPKSZIDPQEDMV-UHFFFAOYSA-N 452.693 3.910 70 1 JHIF COc1cccc2cc3c(nc12)[C@](c1cc(S(=O)(=O)F)cn1C)(C(Cl)(Cl)Cl)NCC3 963050652 CRWLXFSBPSPFOH-GOSISDBHSA-N 492.787 4.000 70 1 JHIF