smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)c1ccncc1OC(F)(F)F 238544451 CXXDDBHPTCHIAR-UHFFFAOYSA-N 261.608 1.908 70 30 CDIC CC(C)(C)OC(=O)N1C[C@H](S(=O)(=O)Cl)[C@H](F)C1 238855667 SLWSZYQVFIPGAD-RQJHMYQMSA-N 287.740 1.512 70 30 CDIC CCOC(=O)Cc1cccc(S(=O)(=O)Cl)c1 108307722 QPZRMBNQECBUGT-UHFFFAOYSA-N 262.714 1.720 70 30 CDIC in-vitro CC(C)(C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cl 958678714 DWWBEEZMANLMJO-QMMMGPOBSA-N 283.777 1.666 70 30 CDIC O=S(=O)(Cl)C[C@H]1CCC2(CCOCC2)O1 722939511 CAQYWIFNSCWRDL-MRVPVSSYSA-N 254.735 1.283 70 30 CDIC O=S(=O)(Cl)c1ccnc(OC(F)(F)F)c1 238532877 PJTADJYCGOFSJP-UHFFFAOYSA-N 261.608 1.908 70 30 CDIC COC(=O)[C@H]1Cc2cccc(S(=O)(=O)Cl)c2C1 97972154 NYJXDKNKMXJRLA-QMMMGPOBSA-N 274.725 1.502 70 30 CDIC Cc1c(S(=O)(=O)Cl)ccc(F)c1[N+](=O)[O-] 140510622 GCRIRWRJGMRBSU-UHFFFAOYSA-N 253.638 1.970 70 30 CDIC O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1 103582369 GSTCLLCEBJUOLB-UHFFFAOYSA-N 266.618 1.431 70 30 CDIC Cc1ccc(S(=O)(=O)Cl)c(S(=O)(=O)Cl)c1 100121618 BWJBYGKQBMETND-UHFFFAOYSA-N 289.161 1.850 70 30 CDIC CS(=O)(=O)c1ccccc1CS(=O)(=O)Cl 105379518 ISTVKPVROGPHTI-UHFFFAOYSA-N 268.743 1.159 70 30 CDIC Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)Cl 123932016 CGTRSINZWIKKRC-UHFFFAOYSA-N 252.650 1.760 70 30 CDIC CS(=O)(=O)c1cccc(CS(=O)(=O)Cl)c1 105379522 YKEWUACDBMFYNY-UHFFFAOYSA-N 268.743 1.159 70 30 CDIC O=C(O)c1cc(S(=O)(=O)Cl)cc2c1OCCCO2 137276075 UBAVZEZYCWPROE-UHFFFAOYSA-N 292.696 1.474 70 30 CDIC COC(=O)c1cc(OC)c(S(=O)(=O)Cl)s1 100657324 NTXBRHJWMUYOQN-UHFFFAOYSA-N 270.715 1.471 70 30 CDIC in-vitro CC(C)(C)OC(=O)N1CC(CCS(=O)(=O)Cl)C1 259155527 CPOYDDXQKVPSIK-UHFFFAOYSA-N 283.777 1.812 70 30 CDIC C[S@](=O)(=NS(=O)(=O)Cl)c1ccccc1F 407985772 LFDRUGIZKAHPQR-CQSZACIVSA-N 271.722 1.766 70 30 CDIC COC(=O)c1cccc([N+](=O)[O-])c1S(=O)(=O)Cl 238850435 BOGUGWIRAXBGLW-UHFFFAOYSA-N 279.657 1.309 70 30 CDIC CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)Cl 950757152 BNLZOODZISTMKV-YUMQZZPRSA-N 296.776 1.164 70 30 CDIC CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)Cl 238855486 SBPCUYHLMPLYAI-BYPYZUCNSA-N 268.640 1.439 70 30 CDIC [N-]=[N+]=C1C(=O)c2ccccc2C=C1S(=O)(=O)Cl 111907360 GCTNRXMQYRFTNC-UHFFFAOYSA-N 268.681 1.463 70 30 CDIC Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F 100451168 MQFPOGZSQQUWNC-UHFFFAOYSA-N 252.650 1.760 70 30 CDIC in-vitro O=[N+]([O-])c1ncccc1OS(=O)(=O)C(F)(F)F 114028791 SOSKORWAHKKSLI-UHFFFAOYSA-N 272.160 1.218 70 30 CDIC COC(=O)c1cc(F)c(C)c(S(=O)(=O)Cl)c1 59262001 VFJSANSVQDDQSP-UHFFFAOYSA-N 266.677 1.848 70 30 CDIC in-vitro O=S(=O)(Cl)C[C@@H]1CCOC2(CCOCC2)C1 757122056 OFFOPHPFOCMRTE-SECBINFHSA-N 268.762 1.531 70 30 CDIC O=S(=O)(Cl)c1ncccc1Br 100644573 DGXRQWJHHNNQGT-UHFFFAOYSA-N 256.508 1.772 70 30 CDIC Cc1cc([N+](=O)[O-])c(S(=O)(=O)Cl)cc1F 396108802 XBQSXRWIHJKJRS-UHFFFAOYSA-N 253.638 1.970 70 30 CDIC COc1cc(OC)c(S(=O)(=O)Cl)cc1F 100646746 GMVNHDODUORGAB-UHFFFAOYSA-N 254.666 1.770 70 30 CDIC in-vitro COC(=O)c1sccc1CS(=O)(=O)Cl 950757369 XMWNNEBXPCZLEH-UHFFFAOYSA-N 254.716 1.603 70 30 CDIC O=[N+]([O-])c1ccc(F)c(S(=O)(=O)Cl)c1F 218998719 PRVMRABITVHXNT-UHFFFAOYSA-N 257.601 1.801 70 30 CDIC CC(C)(C)S(=O)(=O)CCCS(=O)(=O)Cl 253183027 KAAQTVMKLVDGSJ-UHFFFAOYSA-N 262.780 1.158 70 30 CDIC COc1ccc(S(=O)(=O)Cl)c(OC)c1C 105429339 JLMLZRXVGLMDQX-UHFFFAOYSA-N 250.703 1.940 70 30 CDIC COc1cc(F)c(S(=O)(=O)Cl)cc1C(=O)O 575436334 RLTGKHAMYIGBJM-UHFFFAOYSA-N 268.649 1.460 70 30 CDIC O=C(O)c1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-] 100446232 GSINPMWETVUGBB-UHFFFAOYSA-N 265.630 1.221 70 30 CDIC Nc1ncc(Br)cc1S(=O)(=O)F 675063442 UNYGLWGAHTZNLX-UHFFFAOYSA-N 255.068 1.085 70 30 CDIC C[C@@H](CNC(=O)OCc1ccccc1)S(=O)(=O)Cl 113333278 MCSXDSCDXFTPND-VIFPVBQESA-N 291.756 1.870 70 30 CDIC CC(C)(C)OC(=O)C1CCN(S(=O)(=O)Cl)CC1 310433134 SMLVKSLILOBUQQ-UHFFFAOYSA-N 283.777 1.524 70 30 CDIC O=[N+]([O-])c1cccc(CS(=O)(=O)Cl)c1F 229766003 JVZQNNPQUDLNBA-UHFFFAOYSA-N 253.638 1.803 70 30 CDIC NCc1cc(Br)cc(OS(=O)(=O)F)c1 2265385670 BBDFOJQAUBOPME-UHFFFAOYSA-N 284.106 1.501 70 30 CDIC O=S(=O)(Cl)c1ncccc1OC(F)(F)F 238537266 YMCONHIMVIPBCV-UHFFFAOYSA-N 261.608 1.908 70 30 CDIC COC(=O)c1ccc(S(=O)(=O)Cl)cc1C(=O)OC 59095539 DKZHLDLGTSWJGB-UHFFFAOYSA-N 292.696 1.187 70 30 CDIC O=C1COCCN1c1ccc(NC[C@H](O)CCl)cc1 113866840 NPRLIANVFKCHMG-GFCCVEGCSA-N 284.743 1.061 70 30 CDIC CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1 100460383 VEEPMWPOOQQMAE-JTQLQIEISA-N 290.724 1.481 70 30 CDIC Nc1cc(Br)cc(OS(=O)(=O)F)c1 2265385098 YYSJKCMMXRIJPI-UHFFFAOYSA-N 270.079 1.624 70 30 CDIC O=C(CCS(=O)(=O)Cl)OCc1ccccc1 100451608 URMXWCKIMOPVAT-UHFFFAOYSA-N 262.714 1.689 70 30 CDIC in-vitro O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)Cl)C1 97971331 XGJLQARAHNNNOJ-LLVKDONJSA-N 287.768 1.860 70 30 CDIC in-vitro O=[N+]([O-])c1cc(F)c(F)cc1S(=O)(=O)Cl 130252533 JYVJVLADEKWZOM-UHFFFAOYSA-N 257.601 1.801 70 30 CDIC O=S(=O)(Cl)C[C@H]1CC2(CCOCC2)CO1 685939321 RRWFFWUXBDTAIB-MRVPVSSYSA-N 254.735 1.141 70 30 CDIC O=S(=O)(Cl)c1cn(Cc2ccccc2F)cn1 112140364 ZJIGEMVKCBWLRX-UHFFFAOYSA-N 274.704 1.998 70 30 CDIC CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)Cl 238855487 SBPCUYHLMPLYAI-SCSAIBSYSA-N 268.640 1.439 70 30 CDIC CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)Cl 202039664 MSXBIUKPGHGNLQ-ZETCQYMHSA-N 269.750 1.276 70 30 CDIC COCCn1nc(C)c(S(=O)(=O)Cl)c1C 100491720 MPAOKWAEHWIBKZ-UHFFFAOYSA-N 252.723 1.074 70 30 CDIC in-vitro O=S(=O)(Cl)C[C@H]1CCOC2(CCOCC2)C1 757122083 OFFOPHPFOCMRTE-VIFPVBQESA-N 268.762 1.531 70 30 CDIC O=C(c1cc(S(=O)(=O)Cl)ccc1F)N1CCCC1 114558835 CKCIDVLLZCLZDD-UHFFFAOYSA-N 291.731 1.989 70 30 CDIC CCOP(=O)(CS(=O)(=O)Cl)OCC 2265361412 KIARZZYKBUQYOF-UHFFFAOYSA-N 250.640 1.779 70 30 CDIC CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1 59108352 PQQNJEQXJQSNQD-UHFFFAOYSA-N 297.785 1.766 70 30 CDIC O=Cc1cc(Br)cc(OS(=O)(=O)F)c1 2265360987 QPELEVXLGJBBJR-UHFFFAOYSA-N 283.074 1.855 70 30 CDIC O=C(c1ccc(S(=O)(=O)Cl)cc1F)N1CCCC1 100464202 BZALSABOOSSXPU-UHFFFAOYSA-N 291.731 1.989 70 30 CDIC in-vitro COC(=O)C1(CS(=O)(=O)Cl)CCCCC1 139875745 BLTNEUAGFFPFCV-UHFFFAOYSA-N 254.735 1.679 70 30 CDIC O=C(c1ccccc1)N1CC(S(=O)(=O)Cl)C1 97971332 CSKVBBDHYBQPBH-UHFFFAOYSA-N 259.714 1.080 70 30 CDIC CCOC(=O)c1cc(S(=O)(=O)Cl)cn1C 100486476 PIIKOURGUCCBAO-UHFFFAOYSA-N 251.691 1.129 70 30 CDIC CCOC(=O)c1nc(S(=O)(=O)Cl)c2ccccn12 616583386 ZOXYBAQIRPUAAQ-UHFFFAOYSA-N 288.712 1.439 70 30 CDIC CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Cl)s1 100589880 VWYNRXTXBQRGJY-YFKPBYRVSA-N 267.759 1.873 70 30 CDIC in-vitro CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1F 59112720 VBJPDRCPOAOCJQ-UHFFFAOYSA-N 287.721 1.125 70 30 CDIC in-vitro CC(=O)Nc1c(F)ccc(S(=O)(=O)Cl)c1F 216639334 HFHRRAPIPPGOID-UHFFFAOYSA-N 269.656 1.851 70 30 CDIC O=S(=O)(Cl)Cc1ccc(-n2cccn2)cc1 88251057 YZYKEJMPUFNSII-UHFFFAOYSA-N 256.714 1.941 70 30 CDIC CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Cl)s1 100589884 VWYNRXTXBQRGJY-RXMQYKEDSA-N 267.759 1.873 70 30 CDIC in-vitro O=C(O)C1(c2ccc(S(=O)(=O)Cl)cc2)CC1 138132096 RIGVXWASGVZNEX-UHFFFAOYSA-N 260.698 1.730 70 30 CDIC COc1cc(F)c(C(=O)O)cc1S(=O)(=O)Cl 704101805 GVIJQZLKNUFEIV-UHFFFAOYSA-N 268.649 1.460 70 30 CDIC CC(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 105899545 INBRLJIXQSPBMI-UHFFFAOYSA-N 282.770 1.796 70 30 CDIC COc1nc(Br)ccc1S(=O)(=O)Cl 238354183 YFCMXTOCCVLUMO-UHFFFAOYSA-N 286.534 1.780 70 30 CDIC C[S@@](=O)(=NS(=O)(=O)Cl)c1ccccc1F 407985761 LFDRUGIZKAHPQR-AWEZNQCLSA-N 271.722 1.766 70 30 CDIC CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)Cl)C1 307375014 UHFFWPGLYAMRBI-MRVPVSSYSA-N 283.777 1.812 70 30 CDIC COc1cc(C)c(C(=O)O)cc1S(=O)(=O)Cl 145681491 QLNBWXJGHYJLKZ-UHFFFAOYSA-N 264.686 1.629 70 30 CDIC O=S(=O)(Cl)c1cnc(C2OCCO2)s1 725378405 QZOQHZCMVWKMFA-UHFFFAOYSA-N 255.704 1.116 70 30 CDIC COC(=O)c1ccc(OC)cc1S(=O)(=O)Cl 100459416 OJRCIKNACBOQPP-UHFFFAOYSA-N 264.686 1.409 70 30 CDIC in-vitro COc1c(F)cc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 97972445 DQIFAOYZWIUJMH-UHFFFAOYSA-N 269.637 1.670 70 30 CDIC O=S(=O)(Cl)C[C@@H]1CCC2(CCOCC2)O1 722939513 CAQYWIFNSCWRDL-QMMMGPOBSA-N 254.735 1.283 70 30 CDIC O=S(=O)(Cl)[C@@H]1CCO[C@H](C(F)(F)F)C1 306170937 YKICDCCDAJBAMS-UHNVWZDZSA-N 252.641 1.665 70 30 CDIC COc1ccc(OC)c(S(=O)(=O)Cl)c1OC 218587587 IZRXOCUUAZPWGL-UHFFFAOYSA-N 266.702 1.640 70 30 CDIC COCOc1ccc(F)cc1S(=O)(=O)Cl 669371504 BKFLRNWHLCWVMK-UHFFFAOYSA-N 254.666 1.736 70 30 CDIC COCc1ccc(OC)c(S(=O)(=O)Cl)c1 103604409 USYBCWAHCWLQOQ-UHFFFAOYSA-N 250.703 1.769 70 30 CDIC in-vitro COCOc1cccc(C)c1S(=O)(=O)Cl 725268728 DYBIXWSNZKFUAV-UHFFFAOYSA-N 250.703 1.905 70 30 CDIC CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1 100460387 VEEPMWPOOQQMAE-SNVBAGLBSA-N 290.724 1.481 70 30 CDIC COC(=O)Cc1ccc(S(=O)(=O)Cl)cc1F 308358528 RBQNJGUVZXDBMN-UHFFFAOYSA-N 266.677 1.469 70 30 CDIC O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)Cl)C1 97971330 XGJLQARAHNNNOJ-NSHDSACASA-N 287.768 1.860 70 30 CDIC in-vitro O=C1CCc2cc(S(=O)(=O)Cl)cc(F)c2N1 2265385559 KVILFPVUJQSCLW-UHFFFAOYSA-N 263.677 1.638 70 30 CDIC COC(=O)[C@H]1CC12CCC(S(=O)(=O)Cl)CC2 757092460 DISBKZNOBKURQP-CCNFQMFXSA-N 266.746 1.677 70 30 CDIC O=S(=O)(Cl)c1ccc(Cl)c(-c2nnn[nH]2)c1 100515191 QVMZCJIWFPATQZ-UHFFFAOYSA-N 279.108 1.448 70 30 CDIC O=S(=O)(Cl)c1sncc1Br 218479794 KASDPSHEOCETRD-UHFFFAOYSA-N 262.537 1.833 70 30 CDIC O=C(O)c1cccc(S(=O)(=O)Cl)c1[N+](=O)[O-] 238851005 DREAVMRQMNHMMF-UHFFFAOYSA-N 265.630 1.221 70 30 CDIC O=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1 384331567 UPKTWUKEAPGRGX-UHFFFAOYSA-N 262.640 1.514 70 30 CDIC COCc1cc(C(=O)OC)cc(S(=O)(=O)Cl)c1 59261894 UJQULDZMLZIZTA-UHFFFAOYSA-N 278.713 1.547 70 30 CDIC in-vitro CC(C)(C)OC(=O)N[C@H]1C[C@H](S(=O)(=O)Cl)C1 950697794 NAHNINVNXATLRY-LJGSYFOKSA-N 269.750 1.611 70 30 CDIC CCOC(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1 59228132 QJIQAMHVZSBHCD-UHFFFAOYSA-N 292.740 1.937 70 30 CDIC in-vitro COc1ncc(Br)cc1S(=O)(=O)Cl 238399178 HPGXYLFNEUZNHH-UHFFFAOYSA-N 286.534 1.780 70 30 CDIC in-vitro O=S(=O)(Cl)C[C@@H]1CC[C@@H](C(F)(F)F)O1 669371674 PERNUUIYRUMPMG-WHFBIAKZSA-N 252.641 1.665 70 30 CDIC Cc1nc(S(=O)(=O)Cl)c(Br)n1C 238850627 CCMFBYALMUNLNS-UHFFFAOYSA-N 273.539 1.419 70 30 CDIC O=S(=O)(Cl)c1cnn(-c2ccccc2F)c1 59312423 NUNUGOLKMWWBRK-UHFFFAOYSA-N 260.677 1.939 70 30 CDIC in-vitro O=C1CCc2cc(S(=O)(=O)Cl)cc3c2N1CCC3 97971344 FNNLFVHFCZPETK-UHFFFAOYSA-N 285.752 1.840 70 30 CDIC in-vitro COc1cc(F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-] 59093380 RCEGWIXAJMHPOZ-UHFFFAOYSA-N 269.637 1.670 70 30 CDIC O=S(=O)(Cl)[C@H]([C@@H]1CCCO1)C(F)(F)F 97972919 KVBSRDYMQZMLNC-CRCLSJGQSA-N 252.641 1.665 70 30 CDIC O=S(=O)(Cl)c1cccc(Cn2cnnc2)c1 108314772 MUUDILUMPMTGAM-UHFFFAOYSA-N 257.702 1.254 70 30 CDIC Cc1cc2cc(S(=O)(=O)Cl)ccc2[nH]c1=O 104197170 PTAXFVRHTAHJDN-UHFFFAOYSA-N 257.698 1.764 70 30 CDIC in-vitro O=C(C1CC1)N1CCc2ccc(S(=O)(=O)Cl)cc21 100635110 BRALMLGAKSIYOS-UHFFFAOYSA-N 285.752 1.913 70 30 CDIC CN(C)[S@](=O)(=NS(=O)(=O)Cl)c1ccccc1 390822217 VGELKUOLDFFVKO-OAHLLOKOSA-N 282.774 1.474 70 30 CDIC COc1ccc(CCNC(C)=O)cc1S(=O)(=O)Cl 100469800 IFACJDQHEJAQAD-UHFFFAOYSA-N 291.756 1.301 70 30 CDIC COC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1 59261939 FNSURKZSHUELGB-UHFFFAOYSA-N 252.650 1.540 70 30 CDIC in-vitro CCOC(=O)c1ccc(S(=O)(=O)Cl)c(F)c1 148464100 YWZRABLZZFXQJI-UHFFFAOYSA-N 266.677 1.930 70 30 CDIC COC(=O)c1cc(C#N)ccc1S(=O)(=O)Cl 334163800 HVXSDFKNJRABFA-UHFFFAOYSA-N 259.670 1.272 70 30 CDIC Cn1cc(Br)c(S(=O)(=O)Cl)n1 139313799 TXFPCQHAFICJPI-UHFFFAOYSA-N 259.512 1.110 70 30 CDIC O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)Cl)C1 97971471 UFDFTTPRFQZBEB-JTQLQIEISA-N 279.789 1.736 70 30 CDIC in-vitro Cc1nn(C)c(CS(=O)(=O)Cl)c1Br 91330872 JWFLYRYUQPEODV-UHFFFAOYSA-N 287.566 1.560 70 30 CDIC COCCOc1cccc(S(=O)(=O)Cl)c1 130255122 VEDGUZUQXIZCDH-UHFFFAOYSA-N 250.703 1.639 70 30 CDIC CCCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 105764398 ZWHGSOACWLFGCI-UHFFFAOYSA-N 282.770 1.798 70 30 CDIC in-vitro Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F 100444148 WUIIDYYCXNRFON-UHFFFAOYSA-N 253.638 1.970 70 30 CDIC in-vitro CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 59164361 OOWOBINXJHGMNU-UHFFFAOYSA-N 297.785 1.255 70 30 CDIC O=[N+]([O-])c1ccc(OCCS(=O)(=O)Cl)cc1 108304022 BMHHYKNEAPWIPU-UHFFFAOYSA-N 265.674 1.542 70 30 CDIC Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)Cl 59079793 ULXAVQYPPDSMTF-UHFFFAOYSA-N 279.657 1.529 70 30 CDIC COC(=O)[C@@H]1CC12CCC(S(=O)(=O)Cl)CC2 757092510 DISBKZNOBKURQP-ZCUBBSJVSA-N 266.746 1.677 70 30 CDIC O=S(=O)(Cl)C[C@@H]1CC[C@H](C(F)(F)F)O1 669371671 PERNUUIYRUMPMG-CRCLSJGQSA-N 252.641 1.665 70 30 CDIC COC(=O)C=Cc1cccc(S(=O)(=O)Cl)c1 2265308997 IRLXDBWFFKLKOD-UHFFFAOYSA-N 260.698 1.800 70 30 CDIC O=S(=O)(Cl)c1cnn(-c2ccccc2)c1F 238850685 CNMPQWPJSKHKOA-UHFFFAOYSA-N 260.677 1.939 70 30 CDIC CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)Cl 958678711 DWWBEEZMANLMJO-MRVPVSSYSA-N 283.777 1.666 70 30 CDIC O=S(=O)(Cl)[C@@H]([C@H]1CCCO1)C(F)(F)F 97972916 KVBSRDYMQZMLNC-UHNVWZDZSA-N 252.641 1.665 70 30 CDIC COc1ccc(S(=O)(=O)Br)cc1 136533977 YSFCREAOVCDYCH-UHFFFAOYSA-N 251.101 1.779 70 30 CDIC CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Cl)c1 59228135 DYXMLJUECXBKML-UHFFFAOYSA-N 296.703 1.939 70 30 CDIC in-vitro O=S1(=O)Cc2ccc(S(=O)(=O)Cl)cc2C1 328579664 VIYDGWAWUOVMDW-UHFFFAOYSA-N 266.727 1.043 70 30 CDIC COc1c([N+](=O)[O-])cccc1S(=O)(=O)Cl 216587977 UXCAWMJDALMRIF-UHFFFAOYSA-N 251.647 1.531 70 30 CDIC in-vitro O=C(Nc1ccc(Cl)c(F)c1)N1CCNCC1 218015284 ZCZAAXCXVUYGKL-UHFFFAOYSA-N 257.696 1.916 70 30 CDIC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]2(CN)CO 218726170 RKJDQWFUPKCKTL-AWEZNQCLSA-N 270.373 1.345 70 30 CDIC Cn1cc(Br)c(CS(=O)(=O)Cl)n1 725254516 ZDBASGDSRXUCEQ-UHFFFAOYSA-N 273.539 1.251 70 30 CDIC C[S@](=O)(=NS(=O)(=O)Cl)c1ccccc1 307228280 HPJLXLBAQXUCQO-CYBMUJFWSA-N 253.732 1.627 70 30 CDIC O=c1c(OS(=O)(=O)C(F)(F)F)ccc2n1CCC2 100486832 AQAHICRGPSKBNC-UHFFFAOYSA-N 283.227 1.023 70 30 CDIC COC(=O)c1ccc2c(S(=O)(=O)Cl)ncn2c1 669371639 MNCYYQZUYCCAHU-UHFFFAOYSA-N 274.685 1.048 70 30 CDIC CC(=O)N1CCc2sc(S(=O)(=O)Cl)cc2C1 390822051 WNRFERWQHZQFDT-UHFFFAOYSA-N 279.770 1.580 70 30 CDIC O=C(NC1CC1)c1ccc(S(=O)(=O)Cl)cc1 100600529 LZXIZCNYHOOLKX-UHFFFAOYSA-N 259.714 1.506 70 30 CDIC COc1ccc(S(=O)(=O)Cl)cc1CC(=O)O 100520616 VEYWQGXIRSYCEW-UHFFFAOYSA-N 264.686 1.250 70 30 CDIC CCCCOCCOCCOCCS(=O)(=O)Cl 100486675 KXHRNWJINPWSKE-UHFFFAOYSA-N 288.793 1.405 70 30 CDIC in-vitro O=S(=O)(Cl)Cc1ncsc1Br 306820555 NBZUXDKSBGWOKU-UHFFFAOYSA-N 276.564 1.974 70 30 CDIC Cn1nc(Br)cc1S(=O)(=O)Cl 306609702 YZDCONNCIQCPKL-UHFFFAOYSA-N 259.512 1.110 70 30 CDIC COc1cc(C)c(S(=O)(=O)Cl)c(OC)c1 107254433 TUYLBPZJGWPURM-UHFFFAOYSA-N 250.703 1.940 70 30 CDIC COC(=O)c1cc(S(=O)(=O)Cl)c(C)cc1F 123931766 ANUVXJKBMBNNIT-UHFFFAOYSA-N 266.677 1.848 70 30 CDIC CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)Cl)C1 407985951 UIXRWCSPFYYEDC-QMMMGPOBSA-N 299.776 1.191 70 30 CDIC O=S(=O)(Cl)CC1CC(OC(F)(F)F)C1 2265385235 UNGPFPLILZWSSI-UHFFFAOYSA-N 252.641 1.870 70 30 CDIC O=C(NCCCS(=O)(=O)Cl)OCc1ccccc1 103595345 JXMZLYRHQPHROO-UHFFFAOYSA-N 291.756 1.872 70 30 CDIC O=S(=O)(Cl)N1CCc2cc(Br)cnc21 2265385194 ORLJHESPRYFWLM-UHFFFAOYSA-N 297.561 1.690 70 30 CDIC COC(=O)c1cc(F)ccc1S(=O)(=O)Cl 100462530 AZFGHWPSHRTFCC-UHFFFAOYSA-N 252.650 1.540 70 30 CDIC in-vitro CCOC(=O)c1cc(F)ccc1S(=O)(=O)Cl 97957419 XCXCRDLHYABAMJ-UHFFFAOYSA-N 266.677 1.930 70 30 CDIC in-vitro Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Cl 100458863 XIDSCCOEXACQPJ-UHFFFAOYSA-N 251.647 1.536 70 30 CDIC in-vitro O=C(O)c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 100836829 LUMHLXHPCXMDLB-UHFFFAOYSA-N 265.630 1.221 70 30 CDIC COC(=O)c1c(F)cccc1S(=O)(=O)Cl 100446658 CJRQUWXRRINNTQ-UHFFFAOYSA-N 252.650 1.540 70 30 CDIC in-vitro O=S(=O)(Cl)C[C@H]1CCC2(CCOCC2)CO1 616582346 NSWQTOYJKRCKFG-SECBINFHSA-N 268.762 1.531 70 30 CDIC COC(=O)C(C)(C)COS(=O)(=O)C(F)(F)F 117588665 SFGPVHJRBMESDV-UHFFFAOYSA-N 264.221 1.052 70 30 CDIC COC(=O)c1c(OC)ccc(S(=O)(=O)Cl)c1OC 59228127 DAQPIRCLICQPDP-UHFFFAOYSA-N 294.712 1.418 70 30 CDIC in-vitro C[C@@H](N)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 100469902 ZHKBHYQGMXROHC-ZCFIWIBFSA-N 269.244 1.935 70 30 CDIC O=S(=O)(Cl)[C@H]1CCO[C@H](C(F)(F)F)C1 306170941 YKICDCCDAJBAMS-WHFBIAKZSA-N 252.641 1.665 70 30 CDIC CCOC(=O)[C@@H]1CCC[C@@H](CS(=O)(=O)Cl)O1 950757539 RCZFWQUBRKNELK-YUMQZZPRSA-N 270.734 1.056 70 30 CDIC COc1ccccc1-n1cc(S(=O)(=O)Cl)cn1 100637348 KJLBRVABZVYDNL-UHFFFAOYSA-N 272.713 1.808 70 30 CDIC in-vitro [N-]=[N+]=N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)O 2265385576 MZVQWQMVSWDMRK-QMMMGPOBSA-N 289.244 1.586 70 30 CDIC O=S(=O)(Cl)N1CCC(C(F)(F)F)CC1 114603359 KPAYXXZHDJGRKX-UHFFFAOYSA-N 251.657 1.744 70 30 CDIC O=S(=O)(Cl)c1ccccc1Cn1ccnc1 97945867 GUQUJAGPSWYORD-UHFFFAOYSA-N 256.714 1.859 70 30 CDIC in-vitro O=S(=O)(Cl)Cc1noc(C(F)(F)F)n1 669371759 YWUDVSYEQHSQOH-UHFFFAOYSA-N 250.585 1.157 70 30 CDIC O=S(=O)(Cl)C[C@@H]1CC2(CCOCC2)CO1 685939322 RRWFFWUXBDTAIB-QMMMGPOBSA-N 254.735 1.141 70 30 CDIC C[C@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1 219093420 NIHFPICSMSDBCI-SECBINFHSA-N 291.756 1.870 70 30 CDIC O=S(=O)(Cl)C[C@@H]1CCC2(CCOCC2)CO1 616582349 NSWQTOYJKRCKFG-VIFPVBQESA-N 268.762 1.531 70 30 CDIC Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Cl)c1 100461003 PDTIQNOMIWVSQI-UHFFFAOYSA-N 252.650 1.760 70 30 CDIC in-vitro O=C(NC1CC1)c1cccc(S(=O)(=O)Cl)c1 100583353 SSINZHMPWHVPHC-UHFFFAOYSA-N 259.714 1.506 70 30 CDIC in-vitro CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)Cl)C1 407985950 UIXRWCSPFYYEDC-MRVPVSSYSA-N 299.776 1.191 70 30 CDIC Cn1ncc(Br)c1S(=O)(=O)Cl 125165009 XQOBUYXVWCWNEH-UHFFFAOYSA-N 259.512 1.110 70 30 CDIC CCOC(=O)c1cc(OC)c(F)cc1S(=O)(=O)Cl 123766687 PUTJMRQJRZTGGV-UHFFFAOYSA-N 296.703 1.939 70 30 CDIC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]2(CN)CO 218726091 RKJDQWFUPKCKTL-CQSZACIVSA-N 270.373 1.345 70 30 CDIC O=S(=O)(Cl)[C@H]1CCO[C@@H](C(F)(F)F)C1 306170928 YKICDCCDAJBAMS-CRCLSJGQSA-N 252.641 1.665 70 30 CDIC COc1cc2c(cc1S(=O)(=O)Cl)C(=O)NCCC2 384468384 PZDONKKBAGOMRQ-UHFFFAOYSA-N 289.740 1.299 70 30 CDIC CS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1F 100449163 ATQFUIBPJXDJFS-UHFFFAOYSA-N 272.706 1.157 70 30 CDIC in-vitro CCCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 100603710 OCJMNPQFOAGECF-UHFFFAOYSA-N 297.785 1.302 70 30 CDIC in-vitro O=S(=O)(Cl)CCS(=O)(=O)c1ccc(F)cc1 100644174 KAGOKOILMJLDJV-UHFFFAOYSA-N 286.733 1.168 70 30 CDIC in-vitro O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)Cl)C1 97971474 UINGRESIQZSFEO-UHFFFAOYSA-N 294.159 1.733 70 30 CDIC O=C1Cc2cc(S(=O)(=O)Cl)cc3c2N1CCC3 97971567 OUQJLGUGRXCIGQ-UHFFFAOYSA-N 271.725 1.449 70 30 CDIC in-vitro O=S(=O)(Cl)c1nc(F)ccc1Br 238616292 ONQALGMDOIGVDU-UHFFFAOYSA-N 274.498 1.911 70 30 CDIC O=S(=O)(Cl)[C@@H]([C@@H]1CCCO1)C(F)(F)F 97972917 KVBSRDYMQZMLNC-WHFBIAKZSA-N 252.641 1.665 70 30 CDIC CC1(C)COc2c(S(=O)(=O)Cl)cnn2C1 308914521 NKLOAMORDUPYRD-UHFFFAOYSA-N 250.707 1.229 70 30 CDIC NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1 108311334 LQDDPADWQVQFBB-UHFFFAOYSA-N 254.094 1.366 70 30 CDIC O=S(=O)(Cl)c1cnn(Cc2ccccc2F)c1 100871351 ORPBFMRHMVGRRP-UHFFFAOYSA-N 274.704 1.998 70 30 CDIC Cc1cc(S(=O)(=O)Cl)cc([N+](=O)[O-])c1F 100460672 AXMNPGZISRKDDL-UHFFFAOYSA-N 253.638 1.970 70 30 CDIC in-vitro COC(=O)c1c([N+](=O)[O-])cccc1S(=O)(=O)Cl 136875990 HJMACOBMVSRFPO-UHFFFAOYSA-N 279.657 1.309 70 30 CDIC O=S(=O)(Cl)c1cnn2cc(Br)cnc12 306497626 BWHIRYMEWMRSEP-UHFFFAOYSA-N 296.533 1.419 70 30 CDIC COC(=O)[C@@]12CC[C@@H](C[C@H]1S(=O)(=O)Cl)C2 308802146 MAXDFKIKOMGXQQ-LKEWCRSYSA-N 252.719 1.287 70 30 CDIC C[C@H](CS(=O)(=O)Cl)NC(=O)OC(C)(C)C 238443675 CZNOXBWDIJWTQO-ZCFIWIBFSA-N 257.739 1.468 70 30 CDIC O=S(=O)(Cl)[C@H]([C@H]1CCCO1)C(F)(F)F 97972918 KVBSRDYMQZMLNC-RFZPGFLSSA-N 252.641 1.665 70 30 CDIC O=S(=O)(Oc1cn2ccccc2n1)C(F)(F)F 117968910 DUONANKGCSEAPC-UHFFFAOYSA-N 266.200 1.563 70 30 CDIC in-vitro COC(=O)c1cc(S(=O)(=O)Cl)c(F)c(F)c1F 675050869 VPNCPEVPFPFWCX-UHFFFAOYSA-N 288.630 1.818 70 30 CDIC CS(=O)(=O)Cc1cccc(S(=O)(=O)Cl)c1 88255997 RRBRIKUXEMWEEE-UHFFFAOYSA-N 268.743 1.159 70 30 CDIC in-vitro COC(=O)c1cc(S(=O)(=O)Cl)oc1Cl 685945668 ODWQYBCTNMAWHM-UHFFFAOYSA-N 259.066 1.647 70 30 CDIC O=S(=O)(Cl)c1ccccc1Cn1cncn1 97945870 YMWHQNYOESVBJV-UHFFFAOYSA-N 257.702 1.254 70 30 CDIC in-vitro COc1cc(C(=O)O)ccc1S(=O)(=O)Cl 60295808 YHHPBNHWAVTPQW-UHFFFAOYSA-N 250.659 1.321 70 30 CDIC COc1ccc2snnc2c1S(=O)(=O)Cl 100657223 ZIJGOIUSYDYHPY-UHFFFAOYSA-N 264.715 1.627 70 30 CDIC in-vitro ClCCO[SiH](OCCCl)OCCCl 195751963 GSDMVIWNWCWYFB-UHFFFAOYSA-N 267.612 1.470 70 30 CDIC COCc1ccc(C(=O)OC)cc1S(=O)(=O)Cl 59261915 ZSHWCNWUKXKMIV-UHFFFAOYSA-N 278.713 1.547 70 30 CDIC in-vitro COc1cc(S(=O)(=O)Cl)c(Cl)cc1C(=O)O 100654123 NGQXODBIIKJZAY-UHFFFAOYSA-N 285.104 1.974 70 30 CDIC in-vitro O=S(=O)(Cl)c1ccnn1C1CCOCC1 222045206 RJBINYQUIUSPPM-UHFFFAOYSA-N 250.707 1.162 70 30 CDIC Cc1cc2c(cc1S(=O)(=O)Cl)S(=O)(=O)CCC2 100074354 JSNJMRWCUWQHKF-UHFFFAOYSA-N 294.781 1.642 70 30 CDIC COC(=O)c1cc(OC)ccc1S(=O)(=O)Cl 100464873 SMMSYONJPKXKNL-UHFFFAOYSA-N 264.686 1.409 70 30 CDIC CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1 100511129 PPMAWRKBXMPDHY-UHFFFAOYSA-N 287.721 1.125 70 30 CDIC C[S@@](=O)(=NS(=O)(=O)Cl)C1CCCCC1 584883972 YETOGHMTRXVYOL-ZDUSSCGKSA-N 259.780 1.901 70 30 CDIC O=C(O)c1ccc(S(=O)(=O)Cl)cc1Cl 100504530 XYJQBDLJABAHGK-UHFFFAOYSA-N 255.078 1.966 70 30 CDIC COC(=O)[C@@]12CC[C@@H](C[C@@H]1S(=O)(=O)Cl)C2 308802145 MAXDFKIKOMGXQQ-ACLDMZEESA-N 252.719 1.287 70 30 CDIC COC(=O)Cc1cc(OC)ccc1S(=O)(=O)Cl 299805360 KEEBPHZBDNEOIW-UHFFFAOYSA-N 278.713 1.338 70 30 CDIC O=C(Nc1ccc(S(=O)(=O)Cl)nc1)C(F)(F)F 104272712 QBEPUMYJPSFUNN-UHFFFAOYSA-N 288.634 1.510 70 30 CDIC COC(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F 100445290 HBMVYZJBPPMTEG-UHFFFAOYSA-N 270.640 1.679 70 30 CDIC CCOC(=O)Cc1ccccc1S(=O)(=O)Cl 108303615 SMYKRCYVYSJHKJ-UHFFFAOYSA-N 262.714 1.720 70 30 CDIC CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)Cl)C1 307375015 UHFFWPGLYAMRBI-QMMMGPOBSA-N 283.777 1.812 70 30 CDIC O=S(=O)(Cl)C[C@H]1CC[C@H](C(F)(F)F)O1 669371672 PERNUUIYRUMPMG-RFZPGFLSSA-N 252.641 1.665 70 30 CDIC CC(C)(C)OC(=O)NC1(CS(=O)(=O)Cl)CC1 757559143 WVSDJUPYRMJVMV-UHFFFAOYSA-N 269.750 1.612 70 30 CDIC O=S(=O)(Cl)CCS(=O)(=O)c1ccccc1 100637426 DEGAJMGMZJLZPT-UHFFFAOYSA-N 268.743 1.029 70 30 CDIC C[S@](=O)(=NS(=O)(=O)Cl)C1CCCCC1 584883971 YETOGHMTRXVYOL-CYBMUJFWSA-N 259.780 1.901 70 30 CDIC COc1ccc(S(=O)(=O)Cl)c(OC)c1C(=O)O 100505080 UVUSXOXTDVRWMQ-UHFFFAOYSA-N 280.685 1.330 70 30 CDIC O=S(=O)(Cl)c1cnc(C2CCOCC2)o1 685950474 QXZXTSVNGIZQNP-UHFFFAOYSA-N 251.691 1.496 70 30 CDIC CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)Cl)CC1 125459752 MLPZHYQMQBAWIF-UHFFFAOYSA-N 298.792 1.413 70 30 CDIC COc1c(F)cc(S(=O)(=O)Cl)cc1C(=O)O 100654118 UYRCVLRZHKVNNE-UHFFFAOYSA-N 268.649 1.460 70 30 CDIC O=S(=O)(Cl)[C@@H]1CCO[C@@H](C(F)(F)F)C1 306170932 YKICDCCDAJBAMS-RFZPGFLSSA-N 252.641 1.665 70 30 CDIC Cc1cc(F)c(S(=O)(=O)Cl)cc1C(=O)O 100457157 XLUNNSWXXPCVFG-UHFFFAOYSA-N 252.650 1.760 70 30 CDIC in-vitro O=S(=O)(Cl)c1ccccc1CN1CCOCC1 103120399 MZLGPUXBDIFQOG-UHFFFAOYSA-N 275.757 1.446 70 30 CDIC Cn1ncnc1COc1ccc(S(=O)(=O)Cl)cc1 100458094 ZQPFOUNCXUXDSF-UHFFFAOYSA-N 287.728 1.322 70 30 CDIC in-vitro Cc1nn2c(C(F)(F)F)ccnc2c1S(=O)(=O)Cl 100585499 LCPUNKMOYWCIPO-UHFFFAOYSA-N 299.661 1.984 70 30 CDIC CC(=O)N1Cc2ccc(S(=O)(=O)Cl)cc2C1 100631751 URRSOISMHKEOJC-UHFFFAOYSA-N 259.714 1.476 70 30 CDIC in-vitro O=S(=O)(F)c1cc(O)cc(Br)c1 2265381518 WLMNNUKJISLSKS-UHFFFAOYSA-N 255.064 1.813 70 30 CDIC O=C(O)CCC(=O)c1ccc(S(=O)(=O)Cl)cc1 100654843 RFWAEPZTVKZMMI-UHFFFAOYSA-N 276.697 1.662 70 30 CDIC Cc1c(S(=O)(=O)Cl)coc1C(=O)N(C)C 118865385 DQXVCSFAWWOPJO-UHFFFAOYSA-N 251.691 1.217 70 30 CDIC COc1ccc(C)c(OC)c1S(=O)(=O)Cl 217667837 RBMDAYLTRGXOKE-UHFFFAOYSA-N 250.703 1.940 70 30 CDIC CCO[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C 202882410 VEURSYNYOPBCQY-UHFFFAOYSA-N 298.636 1.459 70 30 CDIC O=S(=O)(Cl)c1ccccc1S(=O)(=O)C(F)F 100560972 ICBATTYOFQLQST-UHFFFAOYSA-N 290.696 1.610 70 30 CDIC CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)OC 100345754 WEMPSVOPLDKKRH-UHFFFAOYSA-N 278.713 1.799 70 30 CDIC COC(=O)c1ccc2[nH]cc(S(=O)(=O)Cl)c2c1 218833550 OGTONXUHCSTUSC-UHFFFAOYSA-N 273.697 1.882 70 30 CDIC Cc1cccc(S(=O)(=O)Cl)c1S(=O)(=O)Cl 106122548 UPAXRHPSVARVBI-UHFFFAOYSA-N 289.161 1.850 70 30 CDIC CCc1oc(C(=O)OC)cc1S(=O)(=O)Cl 97956518 GELHDUGJCCZDKY-UHFFFAOYSA-N 252.675 1.556 70 30 CDIC in-vitro CC(C)(C)OC(=O)NCCCS(=O)(=O)Cl 103595350 OMSPDJMNLOWPPG-UHFFFAOYSA-N 257.739 1.470 70 30 CDIC in-vitro CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Cl)c1 108311139 LPXADVSLDCVFDA-UHFFFAOYSA-N 282.148 1.936 70 30 CDIC c1ccc([B-](c2ccccc2)(n2cccn2)n2cccn2)cc1 196163178 WMZMCTDXPWMINV-UHFFFAOYSA-N 299.166 1.733 70 30 CDIC Cc1nn2cc(S(=O)(=O)Cl)cnc2c1Cl 100454757 MHFZKQRFRQLREC-UHFFFAOYSA-N 266.109 1.619 70 30 CDIC in-vitro COC(=O)[C@]1(c2ccccc2)C[C@@H](S(=O)(=O)Cl)C1 685939451 IYWRLDKNXDWNCT-UMSPYCQHSA-N 288.752 1.828 70 30 CDIC C[C@@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1 219093356 NIHFPICSMSDBCI-VIFPVBQESA-N 291.756 1.870 70 30 CDIC Brc1cnccc1CCN1CCNCC1 218722200 JPZLWPIWRPHQFL-UHFFFAOYSA-N 270.174 1.292 70 30 CDIC COC(=O)c1nccc2c(S(=O)(=O)Cl)cccc12 100646687 KMMDYPRLJSHLQD-UHFFFAOYSA-N 285.708 1.949 70 30 CDIC in-vitro NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl 100468732 BHXKVAMXMYVZBM-UHFFFAOYSA-N 284.120 1.132 70 30 CDIC in-vitro COc1ccc(F)c(S(=O)(=O)Cl)c1OC 218167394 VDLDVCVWWUEWPF-UHFFFAOYSA-N 254.666 1.770 70 30 CDIC Cn1nc(C2CC2)c2cc(S(=O)(=O)Cl)cnc21 328579337 BIZMBPHPIVCWLD-UHFFFAOYSA-N 271.729 1.773 70 30 CDIC O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)Cl)C1 97971472 UFDFTTPRFQZBEB-SNVBAGLBSA-N 279.789 1.736 70 30 CDIC in-vitro COC(=O)[C@@H](CS(=O)(=O)Cl)c1ccccc1 100501575 WWYNHZWNQNGIPF-VIFPVBQESA-N 262.714 1.512 70 30 CDIC COC(=O)[C@H](CS(=O)(=O)Cl)c1ccccc1 100501578 WWYNHZWNQNGIPF-SECBINFHSA-N 262.714 1.512 70 30 CDIC O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1 221026147 WXNOYMKDMWKCGL-UHFFFAOYSA-N 272.706 1.315 70 30 CDIC NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 108311281 LJOBREZLSCPQHO-UHFFFAOYSA-N 298.545 1.476 70 30 CDIC in-vitro CC(C)(C(N)=O)c1ccc(S(=O)(=O)Cl)cc1 108308143 DYYLJEOAYUWFIA-UHFFFAOYSA-N 261.730 1.377 70 30 CDIC CCOC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1 59262102 PKTKONTXTSSQDH-UHFFFAOYSA-N 266.677 1.930 70 30 CDIC in-vitro COCCOCc1cccc(S(=O)(=O)Cl)c1 59528793 IMVJCTUVFUCMAX-UHFFFAOYSA-N 264.730 1.777 70 30 CDIC in-vitro COC(=O)c1scc(C)c1S(=O)(=O)Cl 100542424 ZVULPSJAJURKJK-UHFFFAOYSA-N 254.716 1.771 70 30 CDIC C=CCNC(=O)c1cccc(S(=O)(=O)Cl)c1 100582905 QJDBFONVIBPDMK-UHFFFAOYSA-N 259.714 1.530 70 30 CDIC CS(=O)(=O)c1csc(S(=O)(=O)Cl)c1 146147177 BMGZIKVBFXAUKB-UHFFFAOYSA-N 260.745 1.079 70 30 CDIC CN(C)[S@@](=O)(=NS(=O)(=O)Cl)c1ccccc1 390822216 VGELKUOLDFFVKO-HNNXBMFYSA-N 282.774 1.474 70 30 CDIC CC1(C)OB(c2ccccc2S(=O)(=O)F)OC1(C)C 536954382 LFEWQOSAFIQOJX-UHFFFAOYSA-N 286.133 1.644 70 30 CDIC COc1c(C(N)=O)cc(Cl)cc1S(=O)(=O)Cl 108311316 ZOKBWYGGUUFUNE-UHFFFAOYSA-N 284.120 1.375 70 30 CDIC CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)Cl 306490502 VFXMGLBIPWMHDA-MRVPVSSYSA-N 283.777 1.955 70 30 CDIC COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Cl 100467361 XNVKDKDKAYPBPI-UHFFFAOYSA-N 289.740 1.971 70 30 CDIC CC(C)(C)OC(=O)c1cc(S(=O)(=O)Cl)on1 315370128 NQZIBBMYJCWPHS-UHFFFAOYSA-N 267.690 1.557 70 30 CDIC COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)Cl)c2C1 97972153 NYJXDKNKMXJRLA-MRVPVSSYSA-N 274.725 1.502 70 30 CDIC O=C(O)Cc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 238853963 LVKSGTAPWYWVLP-UHFFFAOYSA-N 279.657 1.149 70 30 CDIC O=S(=O)(Cl)C[C@H]1CC[C@@H](C(F)(F)F)O1 669371673 PERNUUIYRUMPMG-UHNVWZDZSA-N 252.641 1.665 70 30 CDIC COc1cc(CC(=O)O)cc(S(=O)(=O)Cl)c1OC 100449550 HMHKADLGFRIXOK-UHFFFAOYSA-N 294.712 1.258 70 30 CDIC in-vitro COC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F 59262020 NAXLQYYVFBACFI-UHFFFAOYSA-N 270.640 1.679 70 30 CDIC CC(C)(CS(=O)(=O)Cl)OCC(F)(F)F 757175806 YQFRRMXZEAPHBZ-UHFFFAOYSA-N 254.657 1.913 70 30 CDIC C[C@H](CNC(=O)OCc1ccccc1)S(=O)(=O)Cl 113333280 MCSXDSCDXFTPND-SECBINFHSA-N 291.756 1.870 70 30 CDIC COc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Cl 149905768 DSFQYTSRQCMGGB-UHFFFAOYSA-N 269.637 1.670 70 30 CDIC CC1(C)O[C@@H]2C(Cl)=C[C@@H](O)[C@H](Br)[C@@H]2O1 34419383 VTWNUZBFZLEKEX-CWKFCGSDSA-N 283.549 1.767 70 30 CDIC CC(C)(C)OC(=O)N1CC(CS(=O)(=O)Cl)C1 306820101 DIDCZGSOSVAIRP-UHFFFAOYSA-N 269.750 1.422 70 30 CDIC COc1ncc(S(=O)(=O)Cl)cc1Br 238420640 XLFSGBXMEOQXGV-UHFFFAOYSA-N 286.534 1.780 70 30 CDIC COc1cc(CS(=O)(=O)Cl)cc(OC)c1 103614408 ACZRENUAHPAJGI-UHFFFAOYSA-N 250.703 1.772 70 30 CDIC COCCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl 100868867 ZUHJONSUZIRGOH-UHFFFAOYSA-N 295.700 1.548 70 30 CDIC O=C(O)c1ccc([N+](=O)[O-])c(S(=O)(=O)Cl)c1 220841203 UPBCHHVCBIGZJB-UHFFFAOYSA-N 265.630 1.221 70 30 CDIC COC(=O)c1cc(S(=O)(=O)Cl)sc1C 260844147 ZGKOICVLGKINGF-UHFFFAOYSA-N 254.716 1.771 70 30 CDIC C[S@@](=O)(=NS(=O)(=O)Cl)c1ccccc1 307228281 HPJLXLBAQXUCQO-ZDUSSCGKSA-N 253.732 1.627 70 30 CDIC O=S(=O)(Cl)c1ccc(S(=O)(=O)Cl)cc1 100228924 DCCKKXXKYBHGCC-UHFFFAOYSA-N 275.134 1.542 70 30 CDIC Cc1cc(S(=O)(=O)Cl)cnc1OC(F)F 2265384939 IOVUOXCINOCHEB-UHFFFAOYSA-N 257.645 1.919 70 30 CDIC CCC(=O)N1CCc2ccc(S(=O)(=O)Cl)cc21 100635116 UITHMKQIOWXCBJ-UHFFFAOYSA-N 273.741 1.913 70 30 CDIC O=S(=O)(Cl)c1ccccc1S(=O)(=O)NC1CC1 100503147 NCVRESVVUMRVMK-UHFFFAOYSA-N 295.769 1.055 70 30 CDIC in-vitro CCc1ccc(S(=O)(=O)Cl)c(C(=O)OC)c1 88256019 LDYPWRZHRJZYHE-UHFFFAOYSA-N 262.714 1.963 70 30 CDIC