smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCNS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587180319 HGOOOOKGVJBNSS-UHFFFAOYSA-N 445.925 3.620 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(F)cccc1S(=O)(=O)Cl 587893028 KGARPVYURTWSGI-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586925759 VQKTTYAEAUHYKF-UHFFFAOYSA-N 429.281 3.981 70 1 IHIF O=C(O)COCC#CC[C@H]1[C@@H](c2ccc([C@@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 144570188 PCQSXENKHCECGM-MNEQBICUSA-N 434.960 3.867 70 1 IHIF O=C1COc2cc3[nH]c(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)nc3cc2N1 586924976 AZOMSIVOQKPVGI-UHFFFAOYSA-N 432.672 3.795 70 1 IHIF COc1cc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925881 YCIFIUNJYBTUHS-UHFFFAOYSA-N 435.811 3.512 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CS(=O)(=O)Cl)c(F)c1 587894550 OHFUSXSDUGEGFD-UHFFFAOYSA-N 448.730 3.912 70 1 IHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587177962 JHACGKTZZPGRAQ-UHFFFAOYSA-N 442.799 3.835 70 1 IHIF NC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926344 KQPUQDBJUACNFP-UHFFFAOYSA-N 449.113 3.672 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)c(F)c1 587894488 LYXRANPXRFUQFN-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF COc1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587895478 GBDQIQHPNJYYAY-UHFFFAOYSA-N 446.739 3.640 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586924670 GURJTDAUYWHZPX-UHFFFAOYSA-N 427.191 3.580 70 1 IHIF O=c1oc2cc(OCCCCN3CCN(c4ccccc4CO)CC3)ccc2c2c1CCC2 218089877 IUKAZBNVCWHHTE-UHFFFAOYSA-N 448.563 3.755 70 1 IHIF COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)c(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587450751 UTCQXRRBUZAMSC-DJJJIMSYSA-N 425.289 3.865 70 1 IHIF COc1cc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924735 HXKNUQMTULCMJI-UHFFFAOYSA-N 435.811 3.512 70 1 IHIF Cc1cc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl 586928172 QREPKCPIUJXESZ-UHFFFAOYSA-N 429.679 3.927 70 1 IHIF COC(=O)COCC#CC[C@H]1[C@@H](c2ccc([C@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 144570807 LBXVHLMLKROQMA-GGAKRVASSA-N 448.987 3.955 70 1 IHIF Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 587897016 ZJXVOWHCFBCYCI-UHFFFAOYSA-N 430.740 3.940 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)ncc2[nH]1 586924483 FJDCGGRGYXGPNW-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF COc1cc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925697 UUSVGEMEBIIVCL-UHFFFAOYSA-N 436.704 3.800 70 1 IHIF CCc1ccc(-c2nc3cc(I)cnc3[nH]2)cc1S(=O)(=O)Cl 586928110 YXCREZRMXJLLRG-UHFFFAOYSA-N 447.685 3.719 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccc1S(=O)(=O)Cl 587894313 YEJNNJHTJQODIR-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF O=S(=O)(Nc1ccccc1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 217097601 HRIRAPQMJVLREA-YZUZCNPQSA-N 435.501 3.990 70 1 IHIF in-vitro C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1 218499004 PENQCOARRZDRMK-RHSMWYFYSA-N 430.434 3.786 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)cc1S(=O)(=O)Cl 587894036 PTFFGSCKSDGKFM-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)cc(S(=O)(=O)Cl)c1 587893865 HXOZMKYZTZXXRD-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF CCS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 586927539 GMJFXXXFFNVZSK-UHFFFAOYSA-N 449.337 3.613 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccnc(Br)c2[nH]1 586925438 PISVDIKOEVOBHL-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1S(=O)(=O)Cl 586928378 YVRPWSPLNPTNOH-UHFFFAOYSA-N 429.889 3.525 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)Cl)c1F 587894257 WLHISBSBRMXIIE-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF CCS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1 586929252 RUHSNULXPRDHLH-UHFFFAOYSA-N 433.338 3.913 70 1 IHIF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1 586924382 DAVAVQJNTWTYLW-UHFFFAOYSA-N 443.308 3.925 70 1 IHIF COc1cc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925887 YGAAACJCNBXHIB-UHFFFAOYSA-N 446.268 3.660 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 586924770 IMQGIHASEAQJRG-UHFFFAOYSA-N 444.340 3.760 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(S(=O)(=O)Cl)c1 587894461 KZFCXBCNRHLWCK-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1Cl 586925534 SOXXHKLKBNNGIC-UHFFFAOYSA-N 427.747 3.832 70 1 IHIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1Cl 586928483 AVAZIWVFZVMOHM-UHFFFAOYSA-N 431.213 3.936 70 1 IHIF COc1ccc(Cl)cc1C#Cc1ccn2cc(OS(=O)(=O)C(F)(F)F)nc2c1 587914329 AZMQILRBUAKXHD-UHFFFAOYSA-N 430.791 3.625 70 1 IHIF C[C@H]1[C@H](Nc2ccc(Br)cn2)CCCN1C(=O)c1ccccc1-n1nccn1 218476962 PYUYCSLCNNECGP-WMLDXEAASA-N 441.333 3.530 70 1 IHIF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl 587489788 VVGZFIUFNKRPCY-OAQYLSRUSA-N 444.896 3.831 70 1 IHIF CCOC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(OC)c(S(=O)(=O)Cl)c1 587918398 PVHGIZCIFGFFGQ-UHFFFAOYSA-N 443.304 3.861 70 1 IHIF O=C(c1cc(F)ccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218525466 PSMGZVKVWYLIHB-NXOUGTEYSA-N 447.392 3.502 70 1 IHIF COc1cc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924326 ATLBJNCQJWKHML-UHFFFAOYSA-N 436.704 3.800 70 1 IHIF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Cl 587894965 BCDZFRDSFMNQCT-UHFFFAOYSA-N 446.739 3.640 70 1 IHIF CCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1S(=O)(=O)Cl 586926675 CYDRXRZLMTXWRU-UHFFFAOYSA-N 443.916 3.779 70 1 IHIF O=C(c1cccc(F)c1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218536236 VEJWAVKRPRJLDD-CSMYWGQOSA-N 447.392 3.502 70 1 IHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 586927472 ZFYQRXXHLRXQNK-UHFFFAOYSA-N 442.509 3.968 70 1 IHIF COC(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1OC 586925688 URGCEDRRLXXYOO-UHFFFAOYSA-N 445.280 3.615 70 1 IHIF COC(=O)c1cc2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2cc1OC 586925494 RRYWDNKZHJABNM-UHFFFAOYSA-N 445.280 3.615 70 1 IHIF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 587896702 TXNSQTYQJHGBJJ-UHFFFAOYSA-N 446.739 3.640 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586927593 HQKFNSJHOCDMSU-UHFFFAOYSA-N 426.281 3.704 70 1 IHIF N#Cc1ccc(S(=O)(=O)Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896260 NUJNLCXCPAIDJH-UHFFFAOYSA-N 441.723 3.503 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Cl)cc1F 587894199 USAODLCKMAIMNC-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl 587489782 VVGZFIUFNKRPCY-NRFANRHFSA-N 444.896 3.831 70 1 IHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587178142 RRISZTPFZVHWER-UHFFFAOYSA-N 433.852 3.601 70 1 IHIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(OC)c([N+](=O)[O-])c1C 587918498 UPCDBLDUBJMFHE-UHFFFAOYSA-N 430.265 3.901 70 1 IHIF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)Cl)cc1)O2 587409253 KXGGVSOPBKCTKG-QGZVFWFLSA-N 444.734 3.760 70 1 IHIF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 587894931 AHHVEYQRPGAEDZ-UHFFFAOYSA-N 430.740 3.940 70 1 IHIF COc1cncc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926287 JUBNZEWMVCAEQV-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl 587409681 NQFMZPAUBOHKCU-HKUYNNGSSA-N 426.321 3.919 70 1 IHIF Cc1c(O)ccc2c1[C@@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)(C)C)N[C@H](C(=O)O)C2 963524289 KSJQQOFXARCFNA-KKSFZXQISA-N 437.945 3.517 70 1 IHIF CS(=O)(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586924424 DNRFIZYNCDBAMR-UHFFFAOYSA-N 439.729 3.868 70 1 IHIF O=C(O)COCC#CC[C@@H]1[C@@H](c2ccc([C@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137014543 PCQSXENKHCECGM-APTBEKPVSA-N 434.960 3.867 70 1 IHIF COc1cc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925077 LLFDOGYQFQCUIQ-UHFFFAOYSA-N 436.704 3.800 70 1 IHIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 586925734 AXSDREWRBAHYQP-UHFFFAOYSA-N 442.509 3.968 70 1 IHIF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1OC 586928467 AKVXJUNWKDXLMR-UHFFFAOYSA-N 429.281 3.914 70 1 IHIF O=S(=O)(Cl)c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Cl 586926926 SHLGPOJAOCCDMF-UHFFFAOYSA-N 426.325 3.643 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)nc2[nH]1 586925470 QKINQZFMBDAFQI-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1S(=O)(=O)Cl 587896618 SECYUXONRVXNBU-UHFFFAOYSA-N 441.723 3.503 70 1 IHIF COc1cc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924581 FZHBJJAAXVSSPQ-UHFFFAOYSA-N 431.901 3.955 70 1 IHIF N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl 587896285 OFGAYCKHYGYDMY-UHFFFAOYSA-N 441.723 3.503 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CS(=O)(=O)Cl)cc1 587895717 HVLFXDMGKSVTNQ-UHFFFAOYSA-N 430.740 3.772 70 1 IHIF Cc1ccc(S(=O)(=O)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587896300 OMVXSPDMCXZGOY-UHFFFAOYSA-N 430.740 3.940 70 1 IHIF COC(=O)COCC#CC[C@@H]1[C@@H](c2ccc([C@@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137018742 LBXVHLMLKROQMA-YQSOIZMPSA-N 448.987 3.955 70 1 IHIF Cc1cc(S(=O)(=O)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894945 ASVLJQYIGUOSNK-UHFFFAOYSA-N 430.740 3.940 70 1 IHIF Cc1cccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c1-n1nccn1 218536583 VMCVDMDKIAUUAU-ZTFGCOKTSA-N 443.429 3.672 70 1 IHIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1Cl 586927603 OWWLIEPUWSIXQF-UHFFFAOYSA-N 426.325 3.643 70 1 IHIF O=C(C[C@H](c1nc2ccccc2s1)[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)NCc1ccccc1 217348849 YYKMAQVIJKYVEZ-XWQURZDVSA-N 448.592 3.691 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc(Br)c2[nH]1 586925231 NDUINHQIUDGSFZ-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(S(=O)(=O)Cl)cc1 587896784 USWAZMGABKBSOV-UHFFFAOYSA-N 430.740 3.826 70 1 IHIF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21 587489436 UXTZIDXZLYSKCU-OAQYLSRUSA-N 444.896 3.799 70 1 IHIF Cc1cc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927067 CFHSJVUPGSFRMP-UHFFFAOYSA-N 438.836 3.759 70 1 IHIF COC(=O)COCC#CC[C@@H]1[C@@H](c2ccc([C@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137018712 LBXVHLMLKROQMA-FSHOYSFVSA-N 448.987 3.955 70 1 IHIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(C2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729336 HYNMZIAFVDKVGA-MDUILUSMSA-N 449.922 3.923 70 1 IHIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(I)cnc3[nH]2)c1 587177896 FIKSAPXYUMIQSN-UHFFFAOYSA-N 437.621 3.541 70 1 IHIF NC(=O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586927422 YLLWBMANGSVWHW-UHFFFAOYSA-N 449.113 3.672 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CS(=O)(=O)F)c(F)c1 587895903 XVFMMXXPGKYBPB-UHFFFAOYSA-N 432.275 3.642 70 1 IHIF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F 217391231 VCBWMBWFXSHHTE-TYGXQLQZSA-N 433.904 3.856 70 1 IHIF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)[C@@H](C2)C3=O 587423718 UWCJNBDJAFQZEC-KSSFIOAISA-N 428.384 3.586 70 1 IHIF Cc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1 217486962 OLHCDKCSCFZGGI-GVDBMIGSSA-N 436.531 3.887 70 1 IHIF COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(S(=O)(=O)Cl)c1 587895793 JAZJSBZOFRTRGJ-UHFFFAOYSA-N 446.739 3.640 70 1 IHIF N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 587895144 CRNHILBPCPHQKZ-UHFFFAOYSA-N 441.723 3.503 70 1 IHIF COc1cc(Cc2nc3cccc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC 586924592 GFKROBVMJHZTTD-UHFFFAOYSA-N 445.722 3.861 70 1 IHIF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)Cl 587896462 PDBYOJLOGZTFNW-UHFFFAOYSA-N 446.739 3.640 70 1 IHIF CCOC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1C#Cc1cc(Cl)ccc1OC 587915736 UIMOGMSPZKOPJL-UHFFFAOYSA-N 431.268 3.992 70 1 IHIF O=C(c1cccc(F)c1-n1ccnn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218363047 RNUWTSJVSRFNSZ-CSMYWGQOSA-N 447.392 3.502 70 1 IHIF C[C@@H]1[C@H](Nc2ccc(Br)cn2)CCCN1C(=O)c1ccccc1-n1nccn1 218499076 PYUYCSLCNNECGP-RHSMWYFYSA-N 441.333 3.530 70 1 IHIF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587180556 KRKVMEYWKBTHDL-UHFFFAOYSA-N 445.925 3.572 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cnc2[nH]1 586924837 JQRKDMVACSKRRT-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF CC1=C(c2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3c2)NNC(=O)C1 586926234 JJYDSWUEICYKDL-UHFFFAOYSA-N 437.308 3.566 70 1 IHIF O=S(=O)(O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 586925453 PPLJYXFZNIQLNA-UHFFFAOYSA-N 441.701 3.711 70 1 IHIF CCOC(=O)[C@H](CCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 71296199 BXMFTYSYMLJTLV-MRXNPFEDSA-N 431.432 3.777 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586928336 XIXYNNGDRNNSSC-UHFFFAOYSA-N 447.212 3.636 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CS(=O)(=O)Cl 587896929 XUQJPKNSLPNPSV-UHFFFAOYSA-N 430.740 3.772 70 1 IHIF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@H]1Cl 587409683 NQFMZPAUBOHKCU-IEBWSBKVSA-N 426.321 3.919 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccc1CS(=O)(=O)Cl 587893990 NSBDQYCHOSJSQW-UHFFFAOYSA-N 448.730 3.912 70 1 IHIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(C2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729350 HYNMZIAFVDKVGA-OPGCRTJHSA-N 449.922 3.923 70 1 IHIF 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O=C(c1c(F)cccc1-n1nccn1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 218536901 SGBSAQGVDFRKJX-CSMYWGQOSA-N 447.392 3.502 70 1 IHIF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl 587409690 NQFMZPAUBOHKCU-PKOBYXMFSA-N 426.321 3.919 70 1 IHIF COc1cc2c3c(c1)O[C@]1(c4ccc(S(=O)(=O)Cl)cc4CC[C@@H]1Cl)[C@@H](C2)C3=O 587450845 VJCCUBOCPPJUHA-RIFZZMRRSA-N 439.316 3.819 70 1 IHIF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)COS(=O)(=O)C(F)(F)F)cc1 587915549 XMPUIJGUQCLQKV-UHFFFAOYSA-N 432.803 3.797 70 1 IHIF N=C(N)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586926833 QYDPAEXSYVVBJK-UHFFFAOYSA-N 448.129 3.857 70 1 IHIF Cc1cccc(S(=O)(=O)Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896217 MXTKTNZSXRHMPH-UHFFFAOYSA-N 430.740 3.940 70 1 IHIF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)c(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O 587450772 UTCQXRRBUZAMSC-ORAYPTAESA-N 425.289 3.865 70 1 IHIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Br)ccnc2[nH]1 586924349 CBINYQZXICIFBX-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF CC(=O)Nc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 218775026 VXKIGLXUWBMSSF-UHFFFAOYSA-N 432.503 3.668 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(F)c1S(=O)(=O)Cl 587892626 BCIVQXWZHSETCD-UHFFFAOYSA-N 434.703 3.770 70 1 IHIF COc1nccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926038 FYNHXOKQOUCPDA-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF CC1=C(c2ccc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3c2)NNC(=O)C1 586927855 SRSKQNJLKZKDKM-UHFFFAOYSA-N 437.308 3.566 70 1 IHIF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1 586927715 JJCMTSWOTSHEPS-UHFFFAOYSA-N 441.962 3.544 70 1 IHIF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)c(F)c1F 218447045 RUAAINBNLVYYHL-UHFFFAOYSA-N 433.904 3.903 70 1 IHIF COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cn1 586926904 RRSMQUFRGALBNW-UHFFFAOYSA-N 437.102 3.977 70 1 IHIF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CN(C)C[C@H]4c4ccccc4C)ncc23)ccn1 218619919 XFQZFSRWYJFSBR-RBBKRZOGSA-N 441.539 3.856 70 1 IHIF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CS(=O)(=O)Cl)c1 587896725 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