smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(CCl)c(C)cc1I 675050829 QIDMLDCINFFPHD-UHFFFAOYSA-N 280.536 3.647 50 30 CHGC O=C/C=C/C12CCC(c3ccccc31)c1ccccc12 142065269 SEKAHXWZBXZWDA-VZUCSPMQSA-N 260.336 3.967 50 30 CHGC CC(C)[C@@H](Br)C(=O)NC1CCCCCCC1 19438199 VXZCRQBHBRUAPG-GFCCVEGCSA-N 290.245 3.635 50 30 CHGC C[C@H](Br)c1ccc(OC(F)F)cc1 36905074 ZXVUIFFRJULZMX-LURJTMIESA-N 251.070 3.744 50 30 CHGC in-vitro N#CC1=C(c2ccccc2)C(=Cc2ccccc2)OC1=O 2265271958 PEODVUVNVGIRIB-UHFFFAOYSA-N 273.291 3.562 50 30 CHGC CC(=O)OO[C@](C#N)(CCC(C)(C)C)c1ccccc1 143661301 ZKSWJCZLGYBLEQ-INIZCTEOSA-N 275.348 3.726 50 30 CHGC CCc1ccc(C(=O)NNc2ccccc2CC)cc1 148615 DZRROCIAGWAXPC-UHFFFAOYSA-N 268.360 3.568 50 30 CHGC C[C@@H](Br)C(=O)Nc1ccc2ccccc2c1 33867635 WNSDBSZGYLEBOQ-SECBINFHSA-N 278.149 3.562 50 30 CHGC CCCC1(CCC)CCC2(CC1)CC(=O)OC2=O 100052077 NYKNGYPICQVZJG-UHFFFAOYSA-N 252.354 3.607 50 30 CHGC Fc1ccc(CBr)cc1CBr 238628340 IKFUNHVJQGRGQA-UHFFFAOYSA-N 281.950 3.616 50 30 CHGC BrCC(CBr)Cc1ccccc1 118126401 XFUUFBLWGWFPHO-UHFFFAOYSA-N 292.014 3.635 50 30 CHGC Cc1c(Br)ccc(F)c1CBr 575689333 CRBGNZFKJYVSPZ-UHFFFAOYSA-N 281.950 3.792 50 30 CHGC Fc1ccc2c(c1)nc(CCl)n2-c1ccccc1 36898021 QKHHNROCPIPVMG-UHFFFAOYSA-N 260.699 3.903 50 30 CHGC ClCc1ncc(-c2cccc(Br)c2)o1 36903566 DSKOVLHBUFQRFV-UHFFFAOYSA-N 272.529 3.843 50 30 CHGC Fc1cc(CBr)ccc1CBr 117765270 DTZIIJGSYDFCQT-UHFFFAOYSA-N 281.950 3.616 50 30 CHGC CC(C)(C)c1ccc(NNC(=O)c2cccs2)cc1 153269 YIHLBWQNPJKKAU-UHFFFAOYSA-N 274.389 3.803 50 30 CHGC CC(C)(C)C(=O)n1ccc2ccc(C(=O)CCl)cc21 22001236 ZLXNUZCUMDLCOM-UHFFFAOYSA-N 277.751 3.749 50 30 CHGC Cc1ccc(N=C=O)cc1Cc1ccccc1N=C=O 77979467 UAWLZSHOYIKAEE-UHFFFAOYSA-N 264.284 3.520 50 30 CHGC C[C@@H]1CCCC[C@]1(OO)OO[C@]1(OO)CCCC[C@H]1C 267327421 LKORFINXKUPUPH-SYQHCUMBSA-N 290.356 3.727 50 30 CHGC ClC(Cl)N(C(Cl)Cl)C(Cl)Cl 100083816 GPPFCZCHDVRUGN-UHFFFAOYSA-N 265.782 3.572 50 30 CHGC CC1(C)CC(CBr)(CBr)C1 725343478 MRQZQRJKPGXDIX-UHFFFAOYSA-N 270.008 3.583 50 30 CHGC O=S(=O)(Sc1ccccc1)c1ccc(Cl)cc1 32147223 OZBQHMNNLSUKDP-UHFFFAOYSA-N 284.789 3.821 50 30 CHGC BrC[C@H]1CCC[C@H](c2ccccc2)O1 306209461 SPVIOHLTPDFIEA-VXGBXAGGSA-N 255.155 3.692 50 30 CHGC CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 101056 KCPVAPJOJIDGBT-DHZHZOJOSA-N 263.724 3.589 50 30 CHGC Br[C@@H]1Cc2ccccc2[C@H](Br)C1 111903021 VUDWWNGBDAJKFX-PSASIEDQSA-N 289.998 3.832 50 30 CHGC COC(=O)[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1 575449242 OUOBFLNSBYINNJ-HAQNSBGRSA-N 272.461 3.740 50 30 CHGC O=C(CBr)C(c1ccccc1)c1ccccc1 161973 MXUDDMSHZFPMLF-UHFFFAOYSA-N 289.172 3.783 50 30 CHGC O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1O 33506753 IQRVLVXGJGIZCY-UHFFFAOYSA-N 259.903 3.731 50 30 CHGC S=C=NCC[C@H]1CC[C@H](CCN=C=S)CC1 263589216 GQSJCHSMDBWAQK-HAQNSBGRSA-N 254.424 3.779 50 30 CHGC CC(C)[C@@H](Br)C(=O)Nc1ccc2c(c1)CCC2 19436389 KMAGDRPNUCRDQP-CYBMUJFWSA-N 296.208 3.533 50 30 CHGC COC1=C(Cl)[C@H](Cl)C2=C1C[C@H](C1CCCC1)C2=O 2265351958 VKIGDLQTLBMZIG-LDYMZIIASA-N 287.186 3.780 50 30 CHGC CC(C)c1ccc(NNC(=O)c2ccc(F)cc2F)cc1 147707 SNMTVVASSKNHMB-UHFFFAOYSA-N 290.313 3.845 50 30 CHGC Fc1cccc([C@@H](Br)COC(F)(F)F)c1 1535542719 PNWUORYFLSJCJN-QMMMGPOBSA-N 287.050 3.798 50 30 CHGC COCc1cccc(OCC2(CBr)CCC2)c1 86544174 GSWMUTOXRHHQMY-UHFFFAOYSA-N 299.208 3.777 50 30 CHGC in-vitro ClC[C@@H]1C[C@H]1c1ccc(Br)s1 88160451 MBESEBHPLONJPA-NTSWFWBYSA-N 251.576 3.853 50 30 CHGC N#CC(C=NOCc1ccc(Cl)cc1)=Cc1ccncc1 2265271929 IYFCKMWWBCGUBP-UHFFFAOYSA-N 297.745 3.845 50 30 CHGC COc1ccc(-c2ccc(C=C(C#N)C#N)s2)cc1 110540 SDPZPHYENKIYJJ-UHFFFAOYSA-N 266.325 3.854 50 30 CHGC CCC[C@@H](Cl)[C@@H](Cl)CCCn1sccc1=O 114359247 WZSJCTXANRHVGN-ZJUUUORDSA-N 282.236 3.705 50 30 CHGC ClCc1ncc(-c2ccc(Br)cc2)o1 36174913 MGWGXALPWHONEV-UHFFFAOYSA-N 272.529 3.843 50 30 CHGC Cc1cc(C)c(C2=NO[C@H]([C@H](C)Cl)C2)cc1C 235487201 WZCWUUSVZTWEGO-FZMZJTMJSA-N 251.757 3.732 50 30 CHGC BrCc1csnc1-c1ccccc1 2265351241 YXHZIVKQQLRSBP-UHFFFAOYSA-N 254.152 3.705 50 30 CHGC Fc1ccc(C(NCCCl)c2ccc(F)cc2)cc1 33605517 NCEVMRXJDRCDAI-UHFFFAOYSA-N 281.733 3.883 50 30 CHGC CC(C)c1ccc(C(=O)[C@H](C)Br)cc1 36819378 BQYWGENEHCBKOU-VIFPVBQESA-N 255.155 3.776 50 30 CHGC Br[C@@H]1C[C@@H](Br)c2ccccc21 100073102 HRNJVYHQBDAKQE-RKDXNWHRSA-N 275.971 3.962 50 30 CHGC CC(C)(C)[Si](C)(C)OCCOc1ccc(C=O)cc1 202233510 UHMRFJXCBUYTFR-UHFFFAOYSA-N 280.440 3.900 50 30 CHGC O=C(NNc1c(Cl)cncc1Cl)Nc1ccccc1 75925 BPFPMBZRTPXJFS-UHFFFAOYSA-N 297.145 3.537 50 30 CHGC COc1ccc(-c2cnc(CCl)o2)cc1Cl 36172905 CGPXKBXSGIRLBE-UHFFFAOYSA-N 258.104 3.742 50 30 CHGC C[C@@H](Br)c1ccc(Cl)c([N+](=O)[O-])c1 231119729 VWNQDGPQVYSRLB-RXMQYKEDSA-N 264.506 3.704 50 30 CHGC Cc1cc(CCl)nc(-c2ccc(Cl)cc2)n1 54832944 ORUJLWWESQKELL-UHFFFAOYSA-N 253.132 3.844 50 30 CHGC in-vitro C[C@@H]1CCC[C@H](C(=O)OC(=O)[C@H]2CCC[C@@H](C)C2)C1 261300768 KYKCBFSCRHKEOM-MQYQWHSLSA-N 266.381 3.709 50 30 CHGC CCc1ccc(C(=O)NNc2ccc(C)c(C)c2)cc1 152116 NJPAHZLQJYLWLC-UHFFFAOYSA-N 268.360 3.623 50 30 CHGC CCCOc1ccc(N(CCCl)CCCl)cc1 2021393 KDZCQFDXYGIYSZ-UHFFFAOYSA-N 276.207 3.759 50 30 CHGC COc1cccc(C=O)c1O[Si](C)(C)C(C)(C)C 196131407 CBGNWUINIDQCCM-UHFFFAOYSA-N 266.413 3.892 50 30 CHGC in-vitro COc1ccc(C(=O)/C(C#N)=C/c2cccs2)cc1 4322786 CPFQNBWNKZOFRT-FMIVXFBMSA-N 269.325 3.547 50 30 CHGC Br[C@@H]1CCCC[C@H]1OCc1ccccc1 50502686 HGWWPANMVXTYDA-CHWSQXEVSA-N 269.182 3.909 50 30 CHGC N#CC(C(=O)c1cccs1)=C1SCCCS1 94667 RHAMYQLXGRTEDJ-UHFFFAOYSA-N 267.400 3.536 50 30 CHGC COc1ccc([C@@H]2CC[C@@H](Br)C2)cc1F 70792467 GCNASPRCDYBDPX-PSASIEDQSA-N 273.145 3.865 50 30 CHGC O=C(NNc1cc(Cl)cc(Cl)c1)c1cccs1 153248 YBWAODOCZHFPFL-UHFFFAOYSA-N 287.171 3.812 50 30 CHGC Fc1ccc([C@@H]2CC[C@H](Br)C2)cc1F 70793100 JBRPZPLEJWVNJH-APPZFPTMSA-N 261.109 3.996 50 30 CHGC O=C(NNc1cc(Cl)cc(Cl)c1)c1ccccc1 153256 NWPALKFYYJEEKO-UHFFFAOYSA-N 281.142 3.750 50 30 CHGC BrCc1cccc(OCc2ccccn2)c1 34961829 ZDVHOQVCXDUYAF-UHFFFAOYSA-N 278.149 3.556 50 30 CHGC Cn1c(C#N)c(CCCCBr)c2ccccc21 22001107 DXSPTQAGGQNRKT-UHFFFAOYSA-N 291.192 3.768 50 30 CHGC Fc1c(CCl)ccc(Br)c1Cl 300735654 GFRYDNDPVHIEIE-UHFFFAOYSA-N 257.917 3.980 50 30 CHGC O=C(OOC1CCCCC1)OOC1CCCCC1 111391421 JTZMVYPFTMBXQL-UHFFFAOYSA-N 258.314 3.668 50 30 CHGC ClCc1nc(Cl)c2c3c(sc2n1)CCC3 19411766 JSBFPXZCSZOJAE-UHFFFAOYSA-N 259.161 3.572 50 30 CHGC C=CCOCC(CC)(COCC=C)CO[Si](C)(C)C 223020253 ZWHMUNZPBINKBE-UHFFFAOYSA-N 286.488 3.640 50 30 CHGC ClCC#Cc1ccc(OCCc2ccccc2)cc1 37544557 BBEHVAKVPLAMQW-UHFFFAOYSA-N 270.759 3.898 50 30 CHGC CCc1cccc(CC)c1N(CCl)C(=O)CCl 5956546 PDQMMZXYWKOZHY-UHFFFAOYSA-N 274.191 3.580 50 30 CHGC COC(=O)CC(C)(C)[C@@H](Cl)CC(Cl)(Cl)Cl 5355959 POFHGKISWXYKLB-LURJTMIESA-N 296.021 3.943 50 30 CHGC O=C=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1536083923 UPHWLPRHCFQGHT-UHFFFAOYSA-N 269.144 3.560 50 30 CHGC Clc1nc2ccccc2cc1CBr 34101530 FWGQIOWOFSUCMM-UHFFFAOYSA-N 256.530 3.783 50 30 CHGC Fc1cc(Br)c(CCl)c(F)c1F 75925918 CRUROJDBDNJGEL-UHFFFAOYSA-N 259.452 3.605 50 30 CHGC ClCc1cc(Cl)ccc1I 148389623 CAUFMOYGGBQQEG-UHFFFAOYSA-N 286.927 3.683 50 30 CHGC CCc1ccccc1NNC(=O)c1c(F)cccc1Cl 148610 WORDUZBXPWJQBQ-UHFFFAOYSA-N 292.741 3.798 50 30 CHGC Cc1cc(CBr)c(Br)cc1F 575689283 AAUOLVLQCDSZCQ-UHFFFAOYSA-N 281.950 3.792 50 30 CHGC Cc1cc(Br)ccc1-c1nnc(CCl)o1 36829398 LQYCLCDEXIMPAR-UHFFFAOYSA-N 287.544 3.546 50 30 CHGC Cc1cc(CBr)cc(C)c1Br 196307013 JYKKCSSAVKMNOU-UHFFFAOYSA-N 277.987 3.961 50 30 CHGC Fc1c(F)c(F)c(CCl)c(Br)c1F 86862151 ZDHFJCMXFOIHPA-UHFFFAOYSA-N 277.442 3.744 50 30 CHGC CCS(=O)(=O)c1ccc([C@@H](Cl)c2ccccc2)cc1 38648165 ZEKZLEKFQFHUFW-HNNXBMFYSA-N 294.803 3.808 50 30 CHGC C=CCOC[C@H](Cl)COP(Cl)Cl 111900030 SXJJQLIDIMYMKV-LURJTMIESA-N 251.477 3.518 50 30 CHGC CCOC(=O)/C(C#N)=C/c1ccc(-c2cccs2)s1 108107 YGMXKEKKGKUIIH-CSKARUKUSA-N 289.381 3.947 50 30 CHGC C[C@@H]1CCCC[C@@H]1C(=O)OC(=O)[C@H]1CCCC[C@H]1C 261300754 DUKADNFIUMKWIY-MQYQWHSLSA-N 266.381 3.709 50 30 CHGC Br[C@H]1C[C@@H](Br)c2ccccc21 100073094 HRNJVYHQBDAKQE-DTORHVGOSA-N 275.971 3.962 50 30 CHGC C[C@@](Br)(OCCCl)c1ccccc1 98181284 BDXFSVZYMTVFGJ-SNVBAGLBSA-N 263.562 3.510 50 30 CHGC COC(=O)c1ccc2ccc(CBr)cc2c1 309514618 WZNJDKAGPSQJTH-UHFFFAOYSA-N 279.133 3.521 50 30 CHGC Clc1ccc2sc(CBr)nc2c1 72266668 ICZQQYOEDNQIAD-UHFFFAOYSA-N 262.559 3.845 50 30 CHGC in-vitro Fc1ccc([C@@H]2CC[C@@H](Br)C2)cc1F 70793104 JBRPZPLEJWVNJH-VXNVDRBHSA-N 261.109 3.996 50 30 CHGC Brc1ccc2c(c1)[C@H](Br)CC2 82420107 PHVPRXZBSMDAGD-SECBINFHSA-N 275.971 3.831 50 30 CHGC C=C[C@@](C)(Cl)[C@H](Cl)/C=C/C(C=O)=C\Cl 13383720 VUMGFDOJOXNAHX-KBDGHPJBSA-N 253.556 3.655 50 30 CHGC in-vitro C[C@H]1CCCC[C@@]1(OO)OO[C@@]1(OO)CCCC[C@H]1C 113055020 LKORFINXKUPUPH-LVEBTZEWSA-N 290.356 3.727 50 30 CHGC C[C@H](Br)C(=O)Nc1ccc2ccccc2c1 33867634 WNSDBSZGYLEBOQ-VIFPVBQESA-N 278.149 3.562 50 30 CHGC O=C=Nc1csc(-c2ccc(C(F)(F)F)cc2)n1 4277409 IQCOJGXZAPJEPM-UHFFFAOYSA-N 270.235 3.796 50 30 CHGC C[C@H](Br)C(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265243088 XABYMCZQJXPCLR-JPYZYGQNSA-N 271.198 3.555 50 30 CHGC CC(C)(C)[S@](=O)NC=CO[Si](C)(C)C(C)(C)C 2265385768 RBIUZANRRCZDAY-INIZCTEOSA-N 277.506 3.531 50 30 CHGC O=C(Cl)C(Cl)(Cl)C(Cl)=C(Cl)Cl 2031448 YWBSILUOCLPVTI-UHFFFAOYSA-N 276.761 3.811 50 30 CHGC CCc1ccc(C(=O)NNc2ccc(C)cc2C)cc1 151505 JAERXHXIOYWMMS-UHFFFAOYSA-N 268.360 3.623 50 30 CHGC FC(F)Oc1ccc(Br)c(CCl)c1 128961510 XQNZJQWPBNXXHK-UHFFFAOYSA-N 271.488 3.789 50 30 CHGC Br[C@H]1Cc2ccccc2[C@H](Br)C1 111903018 VUDWWNGBDAJKFX-WCBMZHEXSA-N 289.998 3.832 50 30 CHGC Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl 100068484 JLYXXMFPNIAWKQ-LKPKBOIGSA-N 290.832 3.644 50 30 CHGC in-man CCc1ccc(C(=O)NNc2ccc(Cl)cc2C)cc1 147500 FKTOTYGBJYUGIE-UHFFFAOYSA-N 288.778 3.968 50 30 CHGC CCc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1 147452 CJFIQZXAVGQPLU-UHFFFAOYSA-N 288.778 3.968 50 30 CHGC CC[C@H](Br)C(=O)c1ccc(C)c(C)c1 57665941 BILZZVNIKBBDOR-NSHDSACASA-N 255.155 3.660 50 30 CHGC Cc1cc(C)nc(N(C(=O)Cl)c2ccccc2)n1 34205064 NQWPMMGOXPNSLD-UHFFFAOYSA-N 261.712 3.590 50 30 CHGC FC(F)(F)C(F)(F)Oc1ccc(CCl)cc1 2265384770 WKSXVYGFKVKCKS-UHFFFAOYSA-N 260.589 3.959 50 30 CHGC C[C@@H](Br)c1ccc(OC(F)F)cc1 36905075 ZXVUIFFRJULZMX-ZCFIWIBFSA-N 251.070 3.744 50 30 CHGC in-vitro Cc1ccc(/C(C#N)=C2\C=C/C(=N\O)C(Cl)=C2)cc1 4335618 MRZBAUSQFYWHHC-QOBMTOCASA-N 270.719 3.795 50 30 CHGC CCS(=O)(=O)c1ccc([C@H](Cl)c2ccccc2)cc1 38648163 ZEKZLEKFQFHUFW-OAHLLOKOSA-N 294.803 3.808 50 30 CHGC CCOC(=O)C(C)(C)CO[Si](C)(C)C(C)(C)C 238853788 LCGLDBLUMKVIOO-UHFFFAOYSA-N 260.450 3.598 50 30 CHGC Fc1ccccc1COc1ccc(CCl)cn1 69285204 VJYFYEQAJDSJPV-UHFFFAOYSA-N 251.688 3.539 50 30 CHGC in-vitro O=C(Cl)OCC1CCC(COC(=O)Cl)CC1 100141603 BTMCUDBTQUAKQH-UHFFFAOYSA-N 269.124 3.544 50 30 CHGC C[C@H](Br)CCC[C@H](C)Br 139145852 VOFLGGXQQXQKRE-BQBZGAKWSA-N 257.997 3.724 50 30 CHGC FC(F)(F)c1cc(CCl)cc(C(F)(F)F)n1 95765383 DDDQWJOUKQPORL-UHFFFAOYSA-N 263.568 3.858 50 30 CHGC CC[C@@H](Br)C(=O)c1ccc(C)c(C)c1 57665942 BILZZVNIKBBDOR-LLVKDONJSA-N 255.155 3.660 50 30 CHGC CCCc1ccc(C(=O)NNc2cccc(C)c2)cc1 151812 PIJMMHWDTFTHNS-UHFFFAOYSA-N 268.360 3.704 50 30 CHGC Cc1ccc(Cc2ccc(N=C=O)cc2)cc1N=C=O 1850167 OYVQDJGKYZFGDE-UHFFFAOYSA-N 264.284 3.520 50 30 CHGC CCc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1 152292 WFZVEWBKXBTNBI-UHFFFAOYSA-N 274.751 3.659 50 30 CHGC ICc1ccccc2cccc1-2 95696880 FGSKQLOAIUDGNE-UHFFFAOYSA-N 268.097 3.726 50 30 CHGC NC(=O)N1c2ccccc2C[C@H](Cl)c2ccccc21 38340590 SILOKTCUWIPXDK-LBPRGKRZSA-N 272.735 3.739 50 30 CHGC O=C(OC(=O)c1ccccc1Cl)c1ccccc1Cl 118175734 OLENANGIJWDOPG-UHFFFAOYSA-N 295.121 3.991 50 30 CHGC O=C(NN=Cc1cccc(C(F)(F)F)c1)c1cccs1 252596188 CGZLYDWQNPQBEA-UHFFFAOYSA-N 298.289 3.531 50 30 CHGC COC(=O)[C@H](Cl)c1ccc(Cl)c(Br)c1 137236156 ABAXADKQAQWNBX-MRVPVSSYSA-N 297.963 3.555 50 30 CHGC CN(N=O)C(=O)N(c1ccccc1)c1ccccc1 22065243 ZUXQWYQSFLIGFM-UHFFFAOYSA-N 255.277 3.558 50 30 CHGC in-vitro O=C(O)CCCCCSSCCCCCC(=O)O 34601253 LUJDBRJEFFQGHD-UHFFFAOYSA-N 294.438 3.658 50 30 CHGC COC1=C(Cl)[C@@H](Cl)C2=C1C[C@@H](C1CCCC1)C2=O 2265351957 VKIGDLQTLBMZIG-KWQFWETISA-N 287.186 3.780 50 30 CHGC C[C@H]1CCCC[C@]1(OO)OO[C@@]1(OO)CCCC[C@H]1C 238790525 LKORFINXKUPUPH-CRWXNKLISA-N 290.356 3.727 50 30 CHGC N#CC(C#N)=Cc1ccc(OCc2ccsc2C#N)cc1 108805 RLGNFKSOSQGBCK-UHFFFAOYSA-N 291.335 3.629 50 30 CHGC Fc1c(F)c(Br)c(F)c(CCl)c1F 86862914 AFJVCDLDDPSNFM-UHFFFAOYSA-N 277.442 3.744 50 30 CHGC Cc1ccc(NNC(=O)c2c(F)cccc2Cl)c(C)c1 151502 SIZKUBDGGRUERQ-UHFFFAOYSA-N 292.741 3.853 50 30 CHGC C[C@@H](Br)CCC[C@@H](C)Br 139145755 VOFLGGXQQXQKRE-RNFRBKRXSA-N 257.997 3.724 50 30 CHGC C=C[C@](C)(CCC=C(C)C)O[Si](C)(OC)OC 198023154 NXBWDLYQSFVNLT-CYBMUJFWSA-N 258.434 3.556 50 30 CHGC CN(C)c1ccc(/C=C(\C#N)C(=O)c2cccs2)cc1 4306182 RQSCGJYOPWTYFV-JLHYYAGUSA-N 282.368 3.604 50 30 CHGC CC(C)Cc1c(CBr)noc1C1CC1 379483003 DSQVSRTZIHXBGZ-UHFFFAOYSA-N 258.159 3.645 50 30 CHGC CN(C)/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 141186 ZXFNGQOWRVTFOZ-DHZHZOJOSA-N 289.791 3.890 50 30 CHGC Fc1cccc([C@H](Br)COC(F)(F)F)c1 1535542718 PNWUORYFLSJCJN-MRVPVSSYSA-N 287.050 3.798 50 30 CHGC COC(=C(C#N)C#N)c1c(-c2ccccc2Cl)noc1C 1045615 HSYGAISDBKDCEL-UHFFFAOYSA-N 299.717 3.708 50 30 CHGC CCCCc1ccc(OC)c(C(=O)CBr)c1 223246437 KBYJSKVJFHGNCL-UHFFFAOYSA-N 285.181 3.615 50 30 CHGC BrCC(CBr)C1CCCCC1 575525316 IIZZUUMLHSZNHS-UHFFFAOYSA-N 284.035 3.973 50 30 CHGC Fc1c(F)c(CCl)c(F)c(F)c1Br 86863182 FJKZGGKMTLJXGR-UHFFFAOYSA-N 277.442 3.744 50 30 CHGC Cc1cc(C(F)(F)F)ccc1CBr 238495542 KTXMZFSKNVEQGA-UHFFFAOYSA-N 253.061 3.909 50 30 CHGC CC(C)(C)C1=CC(=C(C=O)C=O)C=C(C(C)(C)C)O1 616583168 XLRORTAZJWVEIQ-UHFFFAOYSA-N 262.349 3.571 50 30 CHGC C=C[C@](C)(Cl)[C@H](Cl)/C=C/C(C=O)=C\Cl 13383721 VUMGFDOJOXNAHX-RRQHCXFGSA-N 253.556 3.655 50 30 CHGC in-vitro O=CC(/C=C/c1ccccc1)=C/C#Cc1ccccc1 2265352254 YNXYVYPHFYMCTH-XYRSRPKXSA-N 258.320 3.877 50 30 CHGC C=C[C@](C)(Cl)[C@@H](Cl)/C=C/C(C=O)=C\Cl 13383723 VUMGFDOJOXNAHX-LRVHANFSSA-N 253.556 3.655 50 30 CHGC in-vitro ClCc1cnc2ccc(Br)cc2c1 95761752 VKNPWMUQITXLJH-UHFFFAOYSA-N 256.530 3.736 50 30 CHGC FC(F)(F)Oc1ccc(CCBr)cc1 34549359 MSWCBPBZUARGEU-UHFFFAOYSA-N 269.060 3.523 50 30 CHGC in-vitro Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl 263584078 JLYXXMFPNIAWKQ-DCLYFUHFSA-N 290.832 3.644 50 30 CHGC Cc1ccc(NNC(=O)c2sccc2Cl)cc1C 151833 VRGYLCLIWRGBEW-UHFFFAOYSA-N 280.780 3.775 50 30 CHGC ClCc1nc(COc2c(Cl)cccc2Cl)no1 166068 RDVJYCWAUYKUHB-UHFFFAOYSA-N 293.537 3.694 50 30 CHGC CCCCC#Cc1ccc(C(=O)N/N=C/c2ccccc2)o1 4364158 SYELCYDXNBTEET-XMHGGMMESA-N 294.354 3.585 50 30 CHGC FC(F)(F)Oc1ccccc1CCBr 55230840 SHZCYCKEZBSEAV-UHFFFAOYSA-N 269.060 3.523 50 30 CHGC O=C(Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 33626404 UPEYERXRFVNLLO-UHFFFAOYSA-N 283.714 3.554 50 30 CHGC O=C(CBr)c1ccccc1-c1ccccc1 39278448 UOMDLCVGPUNXQV-UHFFFAOYSA-N 275.145 3.931 50 30 CHGC CN(C)/C=C(\C#N)c1csc2ccc(Cl)cc12 172291 KJHYUKQLLZAWJS-VQHVLOKHSA-N 262.765 3.981 50 30 CHGC CC(C)(C)c1ccc(NNC(=O)c2ccccc2)cc1 153281 TVERLKCCXPBGCN-UHFFFAOYSA-N 268.360 3.741 50 30 CHGC CC(C)(C)OO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 100118045 JJHHIGCUQPTUHO-GOSISDBHSA-N 298.338 3.805 50 30 CHGC CCN(CCCl)C(=O)Oc1cc(C)c(N=O)c(C)c1 4804576 JPXXVPJIMCOOSD-UHFFFAOYSA-N 284.743 3.761 50 30 CHGC CC(C)[Si](OC[C@H](O)CCl)(C(C)C)C(C)C 953054865 XJCYJFKJXOFQSC-GFCCVEGCSA-N 266.885 3.778 50 30 CHGC CC[C@H](Oc1ccc(Br)cc1F)C(=O)Cl 725265047 ZUKPIPBOSLWYHR-QMMMGPOBSA-N 295.535 3.511 50 30 CHGC O=C=Nc1ccc(Sc2ccccc2N=C=O)cc1 1850166 QEROATAKCLNWHV-UHFFFAOYSA-N 268.297 3.772 50 30 CHGC O=C(c1ccc(CCl)cc1)N1CCc2ccccc2C1 37342878 SQWOSHROZZKONH-UHFFFAOYSA-N 285.774 3.624 50 30 CHGC C[C@@H]1CCC[C@H](C(=O)OC(=O)[C@@H]2CCC[C@@H](C)C2)C1 216661927 KYKCBFSCRHKEOM-SYQHCUMBSA-N 266.381 3.709 50 30 CHGC C[Si](C)(C)Oc1ncc(Cl)c(O[Si](C)(C)C)n1 195787584 LSPJTQNKLHFVOX-UHFFFAOYSA-N 290.899 3.557 50 30 CHGC CC(C)=CC(=C(C)C)[C@H]1C(=O)OC(=O)[C@@H]1C=C(C)C 223704284 FSRSHNFCBQDWRT-ZIAGYGMSSA-N 262.349 3.571 50 30 CHGC COc1ccc([C@@H]2CC[C@H](Br)C2)cc1F 70792462 GCNASPRCDYBDPX-SCZZXKLOSA-N 273.145 3.865 50 30 CHGC CC(C)(C)Oc1ccc(OCCBr)cc1 34434218 STRFWCIJYZEDHC-UHFFFAOYSA-N 273.170 3.638 50 30 CHGC N#CC(C#N)=C1C=C(O)c2cc(Cl)c(Cl)cc21 2265385724 JDALKJQRYMLPGJ-UHFFFAOYSA-N 263.083 3.707 50 30 CHGC Br[C@H]1C[C@H](Br)c2ccccc21 100073100 HRNJVYHQBDAKQE-IUCAKERBSA-N 275.971 3.962 50 30 CHGC CCOP(=O)(OCC)C(=O)NCCCCCCCl 38634411 SEZJXKVZYMQFCZ-UHFFFAOYSA-N 299.735 3.761 50 30 CHGC ClCc1ccc(Cl)c(I)c1 238518174 WCHSTUZNVZIBIY-UHFFFAOYSA-N 286.927 3.683 50 30 CHGC in-vitro O=C(NNc1ccc(Cl)cc1)c1sccc1Cl 152285 VLCRNWFGCCDJOF-UHFFFAOYSA-N 287.171 3.812 50 30 CHGC O=C(Nc1cccc(Cl)c1Cl)C(Cl)Cl 74909 UZYYFVSYADBLMA-UHFFFAOYSA-N 272.946 3.736 50 30 CHGC COC(=O)c1c(-c2ccccc2)csc1N=C=S 1536221959 RHBDUVGOXMWXIR-UHFFFAOYSA-N 275.354 3.936 50 30 CHGC Cc1cc(Br)cc(C)c1CBr 199706688 IVWRYPIWVUXBNA-UHFFFAOYSA-N 277.987 3.961 50 30 CHGC C=CCOc1ccc(/C=C(\C#N)c2ccccn2)cc1 4347864 FKLGYUQGACFCCZ-NTCAYCPXSA-N 262.312 3.711 50 30 CHGC C[C@H](Br)c1ccccc1Br 57217480 KXXZULOWQUGDMR-LURJTMIESA-N 263.960 3.905 50 30 CHGC CSC(SC)=C(C#N)C(=O)c1ccccc1Cl 166066 RQYDKKSGAOHYPI-UHFFFAOYSA-N 283.805 3.984 50 30 CHGC O=C(CCCCl)Nc1ccc(Br)c(F)c1 83826430 VTODGHAYAJILKQ-UHFFFAOYSA-N 294.551 3.546 50 30 CHGC CCc1cc2c(cc1CC)CC(=O)N(CCCCl)C=C2 205088064 WCEDMKCLGMAJFO-UHFFFAOYSA-N 291.822 3.796 50 30 CHGC Clc1ncc(C(Br)Br)s1 616583188 XLSOQIRLFPBJEV-UHFFFAOYSA-N 291.395 3.585 50 30 CHGC Fc1ccc(Br)c(CCBr)c1 236150645 BPTMZORQSRJJRN-UHFFFAOYSA-N 281.950 3.526 50 30 CHGC O=C(NNc1cc(Cl)ccc1Cl)c1cccs1 146776 JGUYKFAXAUSUIW-UHFFFAOYSA-N 287.171 3.812 50 30 CHGC C[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C 196151543 RNADLUJJRRKGOX-NSHDSACASA-N 289.492 3.921 50 30 CHGC CCC[C@H](Br)c1ccc(C(=O)O)cc1 72232979 YFMVIJWXPXCKIX-JTQLQIEISA-N 257.127 3.621 50 30 CHGC CC(C)(C)OC(=O)N/N=C\c1cccc2ccccc12 4693084 BYQFNJKISPYEML-BOPFTXTBSA-N 270.332 3.698 50 30 CHGC C=C[C@@](C)(Cl)[C@@H](Cl)/C=C/C(C=O)=C\Cl 13383722 VUMGFDOJOXNAHX-RYRBQVHHSA-N 253.556 3.655 50 30 CHGC in-vitro CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 101611 UBMVGDXJWGIQOH-DHZHZOJOSA-N 297.276 3.954 50 30 CHGC Cc1ccc(NNC(=O)c2sccc2Cl)c(C)c1 151498 MTEXPOSQRAFQAC-UHFFFAOYSA-N 280.780 3.775 50 30 CHGC O=P(F)(NCc1ccccc1)NCc1ccccc1 95704161 OKYJPMVMWCHFND-UHFFFAOYSA-N 278.267 3.644 50 30 CHGC COC(=O)[C@@H](Br)c1c(Cl)cccc1Cl 126594242 PWJTWMYNRYPGGZ-QMMMGPOBSA-N 297.963 3.602 50 30 CHGC CCc1ccccc1NNC(=O)c1sccc1Cl 148606 BUTHXDCNFWAFEQ-UHFFFAOYSA-N 280.780 3.721 50 30 CHGC CC(C)(C)[Si](C)(C)OCCNCc1ccccc1 197055620 IPBDAKSGKWWXQS-UHFFFAOYSA-N 265.473 3.798 50 30 CHGC C[C@@H](Br)C(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265243087 XABYMCZQJXPCLR-BZNQNGANSA-N 271.198 3.555 50 30 CHGC C[C@](Br)(OCCCl)c1ccccc1 98181283 BDXFSVZYMTVFGJ-JTQLQIEISA-N 263.562 3.510 50 30 CHGC C[Si](C)(C)OC(=O)CCCCOc1ccccc1 195777263 FMBUOKNNTGQTNQ-UHFFFAOYSA-N 266.413 3.614 50 30 CHGC CC(C)=CC(=C(C)C)[C@@H]1C(=O)OC(=O)[C@H]1C=C(C)C 223704233 FSRSHNFCBQDWRT-KBPBESRZSA-N 262.349 3.571 50 30 CHGC CCCCCOC(=O)CCCCCBr 32218274 AGJXXGYCXKVSDL-UHFFFAOYSA-N 265.191 3.675 50 30 CHGC COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 173863 VKHBWIHPOKXTJG-NTEUORMPSA-N 280.283 3.668 50 30 CHGC CCCN(CCC)c1ccc(C=C(C#N)C#N)cc1 6517322 SPPQUBWWSCWEBZ-UHFFFAOYSA-N 253.349 3.744 50 30 CHGC CC(C)(C)N(N=Cc1ccccc1)C(=O)c1ccccc1 254310919 ZQOGISNIWDWMKX-UHFFFAOYSA-N 280.371 3.961 50 30 CHGC C[C@H]1CC[C@H](C(=O)OC(=O)[C@H]2CC[C@H](C)CC2)CC1 261300761 HFCIALJSVFVNGJ-HDRKRICHSA-N 266.381 3.709 50 30 CHGC CC(C)(C)OC(=O)n1nc(CCl)c2ccccc21 89195576 OHRCJZJQUGWYHC-UHFFFAOYSA-N 266.728 3.558 50 30 CHGC O=C(NNc1c(Cl)cccc1Cl)c1cccs1 153009 KGGIUPKJYCTCMC-UHFFFAOYSA-N 287.171 3.812 50 30 CHGC CCOc1cc(Br)ccc1CBr 687725607 YLMCTHMAEGZNND-UHFFFAOYSA-N 293.986 3.743 50 30 CHGC C[C@H](Br)c1ccc(Cl)c([N+](=O)[O-])c1 231119731 VWNQDGPQVYSRLB-YFKPBYRVSA-N 264.506 3.704 50 30 CHGC BrCCCCc1c[nH]c2ccccc12 34246776 ZMEDIPHPVZBLSY-UHFFFAOYSA-N 252.155 3.886 50 30 CHGC CCOC(=O)c1cc2cc(CBr)ccc2o1 34626599 HZGYURXSRYVWIU-UHFFFAOYSA-N 283.121 3.504 50 30 CHGC in-vitro CC(C)O[Si](CCCCl)(OC(C)C)OC(C)C 195765961 BBMMYRPBNQOFGU-UHFFFAOYSA-N 282.884 3.829 50 30 CHGC CC(C)[C@H](Br)C(=O)NC1CCCCCCC1 19438201 VXZCRQBHBRUAPG-LBPRGKRZSA-N 290.245 3.635 50 30 CHGC CCOP(=O)(CCCCCBr)OCC 116440456 GSSVPYDPBHEDBM-UHFFFAOYSA-N 287.134 3.818 50 30 CHGC O=C=Nc1c(Cl)cc(OC(F)(F)F)cc1Cl 39320925 DPLVYMLTELJBFG-UHFFFAOYSA-N 272.009 3.859 50 30 CHGC CC1=C(C#N)[C@H](c2sccc2C)C2=C(CCCC2=O)N1 19834815 OXEARCDPECLZQH-AWEZNQCLSA-N 284.384 3.548 50 30 CHGC COC1=C(Cl)[C@@H](Cl)C2=C1C[C@H](C1CCCC1)C2=O 2265351956 VKIGDLQTLBMZIG-KCJUWKMLSA-N 287.186 3.780 50 30 CHGC ClCc1noc(-c2cccc(Cl)c2Cl)n1 20432729 RYTCZGKVPLJNMI-UHFFFAOYSA-N 263.511 3.782 50 30 CHGC C[Si](C)(C)Oc1c(F)c(F)c(F)c(F)c1F 195756829 FYCOZPGUWKTYNJ-UHFFFAOYSA-N 256.246 3.596 50 30 CHGC Cc1cc(C)c(C(=O)CCCBr)c(C)c1 41389298 VKMIFETZXWDLGN-UHFFFAOYSA-N 269.182 3.970 50 30 CHGC Cc1cccc(C)c1NC(=O)CN(C)CCCCCCl 2014275 PNBRULDYJXFJRD-UHFFFAOYSA-N 296.842 3.583 50 30 CHGC CSc1sccc1/C=C(/C#N)C(=O)c1ccco1 4389968 RNVLARIMXIYHOL-YFHOEESVSA-N 275.354 3.853 50 30 CHGC COc1ccc([C@H]2CC[C@@H](Br)C2)cc1F 70792469 GCNASPRCDYBDPX-WCBMZHEXSA-N 273.145 3.865 50 30 CHGC Fc1c(Cl)ccc(Br)c1CCl 75925909 XACYWPXXHHPAML-UHFFFAOYSA-N 257.917 3.980 50 30 CHGC O=C(Cl)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 147793647 WPRIUFFALRQOHB-UHFFFAOYSA-N 291.690 3.553 50 30 CHGC Fc1cccc2c1nc(CCl)n2-c1ccccc1 37422268 WITOVWLGWBIWBY-UHFFFAOYSA-N 260.699 3.903 50 30 CHGC N#CC(C#N)=C1SCN(c2cccc(Cl)c2)CS1 100019 DMZDSMMPJBLLGU-UHFFFAOYSA-N 293.804 3.800 50 30 CHGC CCCCOC(=O)/C(Cl)=C(\Cl)C(Cl)Cl 103834923 XKEIIIHSHOBHEJ-AATRIKPKSA-N 279.978 3.823 50 30 CHGC O=C=NCCCCCCSc1ccccc1N=C=O 103835592 IZBAMDYBRZXAAW-UHFFFAOYSA-N 276.361 3.642 50 30 CHGC Clc1ccc2c(ccn2CCBr)c1 138298062 KXVZXEIICYSHPM-UHFFFAOYSA-N 258.546 3.690 50 30 CHGC CCO[Si](C[C@@H](C)c1ccccc1)(OCC)OCC 195767638 UAIKVKJHJSZBFZ-CQSZACIVSA-N 282.456 3.839 50 30 CHGC c1ccc(P(c2ccccc2)c2cccc3c2N3)cc1 604933934 YZFAOCLHXREUPM-UHFFFAOYSA-N 275.291 3.502 50 30 CHGC N#CC(C#N)=Cc1cccn1-c1ccc(C(F)(F)F)cc1 112425 ANLGZVQTEAFNOX-UHFFFAOYSA-N 287.244 3.927 50 30 CHGC C[n+]1c2ccccc2c(N=C=S)c2ccccc21 25759762 RFJTXPJXYXLXCE-UHFFFAOYSA-N 251.334 3.552 50 30 CHGC COc1cc(Br)ccc1CCCCl 95348198 GVEWPVQWZFDRHJ-UHFFFAOYSA-N 263.562 3.629 50 30 CHGC in-vitro Fc1cccc(F)c1C1(CBr)CCC1 521399702 HRAJLHSCFPCPGJ-UHFFFAOYSA-N 261.109 3.781 50 30 CHGC Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CCl 36868952 UWRBLTDOURXQBU-UHFFFAOYSA-N 269.175 3.940 50 30 CHGC in-vitro CC(C)c1ccc(NNC(=O)c2cccs2)cc1 147726 PVMSMKMFCRPGPO-UHFFFAOYSA-N 260.362 3.628 50 30 CHGC CCOC(=O)/C(C#N)=C\c1ccc(-n2c(C)ccc2C)cc1 4695503 OMIRBWMCWVMZLN-WJDWOHSUSA-N 294.354 3.564 50 30 CHGC Fc1ccc([C@H]2CC[C@H](Br)C2)cc1F 70793103 JBRPZPLEJWVNJH-CBAPKCEASA-N 261.109 3.996 50 30 CHGC O=C(CBr)c1cccc(OC2CCCC2)c1 95630091 WSNTXTKLOUFAST-UHFFFAOYSA-N 283.165 3.586 50 30 CHGC ClCc1ncc(-c2ccccc2Br)o1 36903563 BEHSDYLLRZGQEE-UHFFFAOYSA-N 272.529 3.843 50 30 CHGC in-vitro C=C[C@@](C)(CCC=C(C)C)O[Si](C)(OC)OC 198023159 NXBWDLYQSFVNLT-ZDUSSCGKSA-N 258.434 3.556 50 30 CHGC CC(C)(C)[S@@](=O)NC=CO[Si](C)(C)C(C)(C)C 2265385769 RBIUZANRRCZDAY-MRXNPFEDSA-N 277.506 3.531 50 30 CHGC C[C@@H]1CCCC[C@]1(OO)OO[C@@]1(OO)CCCC[C@H]1C 267327419 LKORFINXKUPUPH-MQYQWHSLSA-N 290.356 3.727 50 30 CHGC CO[Si](C)(OC)OCC[C@@H](C)CCC=C(C)C 198035553 VIUNTHAYBFBLFV-ZDUSSCGKSA-N 260.450 3.637 50 30 CHGC CCSC(SCC)=C(C#N)C(=O)OC(C)(C)C 390822239 ZXIPZTXCYCMJBR-UHFFFAOYSA-N 273.423 3.569 50 30 CHGC CC(C)(C)Oc1ccc(CCBr)cc1 82567066 GKGNCUZYCWSLPM-UHFFFAOYSA-N 257.171 3.801 50 30 CHGC Fc1ccc(CCBr)c(Br)c1 236203295 JXZYSZWQJIDWNV-UHFFFAOYSA-N 281.950 3.526 50 30 CHGC Cc1cc(Cl)ccc1NNC(=O)CCc1ccccc1 147495 GXCXLBVGYMXYKA-UHFFFAOYSA-N 288.778 3.724 50 30 CHGC Cc1cc(C)c(C2=NO[C@@H]([C@H](C)Cl)C2)cc1C 235489158 WZCWUUSVZTWEGO-SMDDNHRTSA-N 251.757 3.732 50 30 CHGC Cc1cccc(NNC(=O)c2c(F)cccc2Cl)c1 151801 DFCUPGZELSRPSK-UHFFFAOYSA-N 278.714 3.544 50 30 CHGC O=C(Cl)c1ccccc1C(Cl)(Cl)Cl 33604892 LJMNEQZBOODJQR-UHFFFAOYSA-N 257.931 3.892 50 30 CHGC CCC[C@H](Cl)[C@H](Cl)CCCn1sccc1=O 114359255 WZSJCTXANRHVGN-VHSXEESVSA-N 282.236 3.705 50 30 CHGC O=C(NNc1ccccc1C(F)(F)F)c1cccs1 147166 ZNQJHTBKPZKWBX-UHFFFAOYSA-N 286.278 3.524 50 30 CHGC BrC[C@H]1CCC[C@@H](c2ccccc2)O1 306209456 SPVIOHLTPDFIEA-NEPJUHHUSA-N 255.155 3.692 50 30 CHGC Fc1ccc([C@H]2CC[C@@H](Br)C2)cc1F 70793106 JBRPZPLEJWVNJH-IONNQARKSA-N 261.109 3.996 50 30 CHGC CCC[C@@H](Br)c1ccc(C(=O)O)cc1 72232980 YFMVIJWXPXCKIX-SNVBAGLBSA-N 257.127 3.621 50 30 CHGC CCO[Si](C[C@H](C)c1ccccc1)(OCC)OCC 195767640 UAIKVKJHJSZBFZ-AWEZNQCLSA-N 282.456 3.839 50 30 CHGC Fc1ccc2nc(CCl)n(-c3ccccc3)c2c1 52123503 DPYHXGSQKNVYKG-UHFFFAOYSA-N 260.699 3.903 50 30 CHGC FC(F)(F)C1(c2cccc(CBr)c2)N=N1 145815082 CRJFPFARGFDZOA-UHFFFAOYSA-N 279.059 3.762 50 30 CHGC BrC[C@@H]1CCC[C@@H](c2ccccc2)O1 306209460 SPVIOHLTPDFIEA-RYUDHWBXSA-N 255.155 3.692 50 30 CHGC Fc1ccc(-n2c(CCl)nc3ccccc32)cc1 20592500 OCTQSIZFMAVGHC-UHFFFAOYSA-N 260.699 3.903 50 30 CHGC CCC[C@H](Cl)[C@@H](Cl)CCCn1sccc1=O 114359250 WZSJCTXANRHVGN-UWVGGRQHSA-N 282.236 3.705 50 30 CHGC COC(=O)[C@@H](Cl)c1cc(Cl)sc1Cl 307679937 SJSNROIJZFWROC-YFKPBYRVSA-N 259.541 3.508 50 30 CHGC BrCc1ccc(Oc2cccnc2)cc1 218207126 XJQYGGPFNSQZAV-UHFFFAOYSA-N 264.122 3.769 50 30 CHGC CC(C)c1ccc(NNC(=O)CCc2ccccc2)cc1 147713 COGYVADNJDCLJC-UHFFFAOYSA-N 282.387 3.886 50 30 CHGC CC(C)(C)C1CCN(CCCBr)CC1 50347819 TVRCMYSOWBKSSI-UHFFFAOYSA-N 262.235 3.530 50 30 CHGC CCCc1ccc(C(=O)NNc2ccc(F)cc2)cc1 148655 JMNKDAGJMDHCRO-UHFFFAOYSA-N 272.323 3.535 50 30 CHGC Cc1ccc(NNC(=O)CCc2ccccc2)cc1Cl 147449 VEKNUQXSXCWREO-UHFFFAOYSA-N 288.778 3.724 50 30 CHGC CC(C)(C)C(C)(CBr)CBr 958748791 PDSMVAGUEACFIL-UHFFFAOYSA-N 272.024 3.829 50 30 CHGC CCCc1ccc(C(=O)NNc2ccccc2F)cc1 151472 GDLYEXBIXMIQRG-UHFFFAOYSA-N 272.323 3.535 50 30 CHGC COOC(=O)c1cccc(-c2ccccc2)c1Cl 604934820 MNYDFELIACDCLE-UHFFFAOYSA-N 262.692 3.725 50 30 CHGC Br[C@H]1C[C@H](Br)Cc2ccccc21 111903016 VUDWWNGBDAJKFX-SCZZXKLOSA-N 289.998 3.832 50 30 CHGC CC[C@@H](Oc1ccc(Br)cc1F)C(=O)Cl 725265046 ZUKPIPBOSLWYHR-MRVPVSSYSA-N 295.535 3.511 50 30 CHGC COC1=C(Cl)[C@H](Cl)C2=C1C[C@@H](C1CCCC1)C2=O 2265351955 VKIGDLQTLBMZIG-GZMMTYOYSA-N 287.186 3.780 50 30 CHGC Cc1nn(C)c(C)c1Oc1ccc(CBr)cc1 218333752 YQDRUEVKSQVJKG-UHFFFAOYSA-N 295.180 3.724 50 30 CHGC COOC(=O)c1cc(-c2ccccc2)ccc1Cl 604934830 WKCWCQAGAJHROF-UHFFFAOYSA-N 262.692 3.725 50 30 CHGC CC(C)(C)OO[C@]1(c2ccccc2)OC(=O)c2ccccc21 100118048 JJHHIGCUQPTUHO-SFHVURJKSA-N 298.338 3.805 50 30 CHGC C[Si](C)(C)OC(=O)Cc1cccc(O[Si](C)(C)C)c1 195781566 DIZHLFUWBKEJBT-UHFFFAOYSA-N 296.515 3.821 50 30 CHGC COC(=O)[C@H](Br)c1c(Cl)cccc1Cl 126594020 PWJTWMYNRYPGGZ-MRVPVSSYSA-N 297.963 3.602 50 30 CHGC Cc1cc(Cl)ccc1NNC(=O)c1ccc(F)cc1F 147484 QCAFUDYSBWNYOL-UHFFFAOYSA-N 296.704 3.684 50 30 CHGC CCC(=O)N/N=C(\C)c1ccc(Oc2ccccc2)cc1 83123 GNULLWLBGWGICI-QGOAFFKASA-N 282.343 3.729 50 30 CHGC C[C@H]1CCC[C@H](C(=O)OC(=O)[C@H]2CCC[C@@H](C)C2)C1 261300767 KYKCBFSCRHKEOM-CRWXNKLISA-N 266.381 3.709 50 30 CHGC CCCc1ccc(C(=O)NNc2ccccc2CC)cc1 148619 BHSSZFTZMMIKRD-UHFFFAOYSA-N 282.387 3.958 50 30 CHGC Cc1occc1C(=O)C(C#N)=C1SCCCCS1 168223 HTIKCJOHFVWGHL-UHFFFAOYSA-N 279.386 3.766 50 30 CHGC CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](CO)CC1 584601246 DWUPTNCOHZJANV-JOCQHMNTSA-N 258.478 3.807 50 30 CHGC COC(=O)[C@H](Cl)c1cc(Cl)sc1Cl 307679936 SJSNROIJZFWROC-RXMQYKEDSA-N 259.541 3.508 50 30 CHGC F[C@@H](Cl)C(F)(F)Oc1cccc(Br)c1 2265385328 JITTUKDAIFQRBW-SSDOTTSWSA-N 289.478 3.955 50 30 CHGC CCOC(=O)N/N=C/c1sc2ccc(Cl)cc2c1C 172489 RSZVMIKEHBXQAB-VIZOYTHASA-N 296.779 3.943 50 30 CHGC O=C(NNc1c(Cl)cccc1Cl)c1ccccc1 153018 RQKDUIAKMIUXMJ-UHFFFAOYSA-N 281.142 3.750 50 30 CHGC COCCCCc1cc(CBr)ccc1C 140063832 MGDCZISIPUUHBH-UHFFFAOYSA-N 271.198 3.859 50 30 CHGC F[C@H](CBr)c1ccc(Br)cc1 117487241 ULLOQOPIBJUMNJ-MRVPVSSYSA-N 281.950 3.855 50 30 CHGC Br[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(Br)C3 59366366 QPLRBWJKWVOFOR-IUPLNGJJSA-N 294.030 3.724 50 30 CHGC CC1CCC2(CC1)CC[C@H](CI)O2 307275717 SEVQEWLEBNIPLM-HSOILSAZSA-N 294.176 3.549 50 30 CHGC O=C(CBr)c1cc2ccc(F)cc2s1 88023882 CCEVHFGTURWJGE-UHFFFAOYSA-N 273.126 3.618 50 30 CHGC Cc1ccc(CCBr)cc1C(F)(F)F 1536076637 GURNECAWBAUJCZ-UHFFFAOYSA-N 267.088 3.951 50 30 CHGC CC(C)c1ccc(C2=NO[C@H]([C@H](C)Cl)C2)cc1 217000998 WMFKETYGJUYTPH-HZMBPMFUSA-N 251.757 3.930 50 30 CHGC CC(=O)OO[C@@](C#N)(CCC(C)(C)C)c1ccccc1 143661501 ZKSWJCZLGYBLEQ-MRXNPFEDSA-N 275.348 3.726 50 30 CHGC Clc1nccc2c(CBr)csc12 95760967 VJPVZOFKLJOHII-UHFFFAOYSA-N 262.559 3.845 50 30 CHGC Fc1ccc(Br)cc1CCBr 82955075 IUYZQKBMFVHPMB-UHFFFAOYSA-N 281.950 3.526 50 30 CHGC BrCc1ccc(C#Cc2ccccc2)cc1 82044329 YWJQWQKNHTWBCY-UHFFFAOYSA-N 271.157 3.981 50 30 CHGC Clc1cccc2sc(CBr)nc12 96331670 MLRDLYGOYXCLRH-UHFFFAOYSA-N 262.559 3.845 50 30 CHGC Br[C@H]1Cc2ccccc2[C@@H](Br)C1 111903013 VUDWWNGBDAJKFX-WPRPVWTQSA-N 289.998 3.832 50 30 CHGC CC(C)(C)[Si](C)(C)OCc1ccccc1CO 195969185 RCLKRJCBLSQBFJ-UHFFFAOYSA-N 252.430 3.701 50 30 CHGC COc1ccc([C@H]2CC[C@H](Br)C2)cc1F 70792464 GCNASPRCDYBDPX-WPRPVWTQSA-N 273.145 3.865 50 30 CHGC O=C(NNc1ccc(Cl)cc1)c1c(F)cccc1Cl 152288 CBPMZNQDJVYQSV-UHFFFAOYSA-N 299.132 3.889 50 30 CHGC CCC[C@@H](Cl)[C@H](Cl)CCCn1sccc1=O 114359253 WZSJCTXANRHVGN-NXEZZACHSA-N 282.236 3.705 50 30 CHGC NC(=O)N1c2ccccc2C[C@@H](Cl)c2ccccc21 38340591 SILOKTCUWIPXDK-GFCCVEGCSA-N 272.735 3.739 50 30 CHGC ClCc1ccnc(-c2ccc(Br)cc2)n1 54793350 NYBBQCXRGIHZPQ-UHFFFAOYSA-N 283.556 3.645 50 30 CHGC in-vitro C[C@H](Br)CCC[C@@H](C)Br 139145643 VOFLGGXQQXQKRE-KNVOCYPGSA-N 257.997 3.724 50 30 CHGC Cc1cc(CBr)c(C)cc1Br 70022106 PHBVEMLXEKZNSV-UHFFFAOYSA-N 277.987 3.961 50 30 CHGC Fc1cccc(-n2c(CCl)nc3ccccc32)c1 20592480 GWBGRYRQWMFHKH-UHFFFAOYSA-N 260.699 3.903 50 30 CHGC COC(=O)c1sc2ccccc2c1CBr 57218417 LJNQYZIGHTUFKC-UHFFFAOYSA-N 285.162 3.583 50 30 CHGC C[C@@H](Br)c1ccccc1Br 57217481 KXXZULOWQUGDMR-ZCFIWIBFSA-N 263.960 3.905 50 30 CHGC FC(F)(F)Oc1cccc(CCCBr)c1 70791444 WBSRIBTUVFZTKM-UHFFFAOYSA-N 283.087 3.913 50 30 CHGC Cc1cc(Cc2ccc(N=C=O)cc2)ccc1N=C=O 1841038 LWCCXOJTEVAEKM-UHFFFAOYSA-N 264.284 3.520 50 30 CHGC C[C@H]1CCCC[C@@H]1C(=O)OC(=O)[C@H]1CCCC[C@H]1C 261300753 DUKADNFIUMKWIY-CRWXNKLISA-N 266.381 3.709 50 30 CHGC F[C@@H](CBr)c1ccc(Br)cc1 117487238 ULLOQOPIBJUMNJ-QMMMGPOBSA-N 281.950 3.855 50 30 CHGC CC(C)=CC(=C(C)C)[C@H]1C(=O)OC(=O)[C@H]1C=C(C)C 223704325 FSRSHNFCBQDWRT-UONOGXRCSA-N 262.349 3.571 50 30 CHGC F[C@H](Cl)C(F)(F)Oc1ccc(Br)cc1 38862021 YMBPCQZSBWFECF-ZETCQYMHSA-N 289.478 3.955 50 30 CHGC Cc1cc(C)c(C2=NO[C@H]([C@@H](C)Cl)C2)cc1C 235134268 WZCWUUSVZTWEGO-RISCZKNCSA-N 251.757 3.732 50 30 CHGC CSc1ccc(Br)cc1CCl 2265384950 JLRWTNGYCIGFSO-UHFFFAOYSA-N 251.576 3.910 50 30 CHGC CC(C)C[C@@H](Cl)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 196585783 DEIWLENJRMQSPT-WHPHWUKISA-N 284.636 3.907 50 30 CHGC O=[N+]([O-])c1c(Cl)cc(Cl)cc1CBr 149302295 DLCJCQAFRQOIIA-UHFFFAOYSA-N 284.924 3.797 50 30 CHGC in-vitro BrCC1(CBr)CC2(CCC2)C1 950757279 ONHWMCOVBDSRPF-UHFFFAOYSA-N 282.019 3.727 50 30 CHGC CC(C)[C@H](Br)C(=O)Nc1ccc2c(c1)CCC2 19436391 KMAGDRPNUCRDQP-ZDUSSCGKSA-N 296.208 3.533 50 30 CHGC Cc1ccc(NNC(=O)c2c(F)cccc2Cl)cc1C 151840 GEDHTPAYYPTFAJ-UHFFFAOYSA-N 292.741 3.853 50 30 CHGC Brc1ccc2c(c1)[C@@H](Br)CC2 82420109 PHVPRXZBSMDAGD-VIFPVBQESA-N 275.971 3.831 50 30 CHGC CC1=C(C#N)[C@@H](c2sccc2C)C2=C(CCCC2=O)N1 19834813 OXEARCDPECLZQH-CQSZACIVSA-N 284.384 3.548 50 30 CHGC CO[Si](C)(OC)OCC[C@H](C)CCC=C(C)C 198035557 VIUNTHAYBFBLFV-CYBMUJFWSA-N 260.450 3.637 50 30 CHGC COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O 196789525 XGIVEBOLZSZCOY-UHFFFAOYSA-N 282.412 3.563 50 30 CHGC CCOP(O[Si](C)(C)C)O[Si](C)(C)C 196215005 XSUTYOLMBOCZCC-UHFFFAOYSA-N 254.415 3.953 50 30 CHGC CC1CCC2(CC1)CC[C@@H](CI)O2 307275718 SEVQEWLEBNIPLM-YVNMAJEFSA-N 294.176 3.549 50 30 CHGC Cc1ccc(Br)c(OCCBr)c1 699887297 ODBNPBIYGDVQPN-UHFFFAOYSA-N 293.986 3.531 50 30 CHGC N#CC(C(=O)c1ccccc1Cl)=C1SCCS1 94762 YPCADQRHXZZBDO-UHFFFAOYSA-N 281.789 3.738 50 30 CHGC Cc1ccc(C(=O)C(Cl)(Cl)SC#N)cc1 6070797 YZSQRDNFHWDUJT-UHFFFAOYSA-N 260.145 3.523 50 30 CHGC CC(C)c1ccc(C2=NO[C@@H]([C@H](C)Cl)C2)cc1 217001011 WMFKETYGJUYTPH-IINYFYTJSA-N 251.757 3.930 50 30 CHGC C[C@@H]1CCCC[C@@H]1C(=O)OC(=O)[C@@H]1CCCC[C@H]1C 261300755 DUKADNFIUMKWIY-SYQHCUMBSA-N 266.381 3.709 50 30 CHGC Cc1cccc(C)c1N(COCC(C)C)C(=O)CCl 1756122 BIQOEDQVNIYWPQ-UHFFFAOYSA-N 283.799 3.505 50 30 CHGC in-vitro F[C@@H](Cl)C(F)(F)Oc1ccc(Br)cc1 38862018 YMBPCQZSBWFECF-SSDOTTSWSA-N 289.478 3.955 50 30 CHGC FC(F)(F)c1ncc(CBr)cc1Cl 307347288 XIVRWJYGULEIMA-UHFFFAOYSA-N 274.467 3.649 50 30 CHGC Fc1cccc2nc(CCl)n(-c3ccccc3)c12 76041652 YZFVIVDNOOPUKA-UHFFFAOYSA-N 260.699 3.903 50 30 CHGC BrC[C@@H]1CCC[C@H](c2ccccc2)O1 306209458 SPVIOHLTPDFIEA-NWDGAFQWSA-N 255.155 3.692 50 30 CHGC CC(C)(C)S(=O)(=O)/C(C#N)=C/c1cc2ccccc2o1 107479 JLRKGFSDQUJOOA-UKTHLTGXSA-N 289.356 3.511 50 30 CHGC COc1ccc(OCCBr)c2ccccc12 71790803 IDPMOEUQMUXBSD-UHFFFAOYSA-N 281.149 3.622 50 30 CHGC C=CC(C)(C)O[Si](C)(OC(C)(C)C=C)c1ccccc1 238790535 XETXNNOUUOLTSE-UHFFFAOYSA-N 290.479 3.928 50 30 CHGC COc1ccc(F)cc1-c1cncc(CCl)c1 37523192 BPBGXHIRCWFGQD-UHFFFAOYSA-N 251.688 3.635 50 30 CHGC Br[C@H]1C2C[C@@H]3C[C@H](C2)CC1(Br)C3 148996630 QPLRBWJKWVOFOR-ZYXJHOAFSA-N 294.030 3.724 50 30 CHGC CC(C)c1ccc(C(=O)[C@@H](C)Br)cc1 36819377 BQYWGENEHCBKOU-SECBINFHSA-N 255.155 3.776 50 30 CHGC O=[N+]([O-])c1ccc(C(F)(F)F)c(CBr)c1 114415084 NDHBWUIBCMWLAA-UHFFFAOYSA-N 284.031 3.509 50 30 CHGC in-vitro CC[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C=O 4202623 JBKVPQNVVZLHBE-PXAZEXFGSA-N 280.371 3.580 50 30 CHGC CCCOc1ccc(Br)cc1CCl 20483194 SUCZNPPNJOHWAE-UHFFFAOYSA-N 263.562 3.977 50 30 CHGC CC(C)=CC(=C(C)C)[C@@H]1C(=O)OC(=O)[C@@H]1C=C(C)C 223704184 FSRSHNFCBQDWRT-KGLIPLIRSA-N 262.349 3.571 50 30 CHGC COC(=O)CC(C)(C)[C@H](Cl)CC(Cl)(Cl)Cl 5355954 POFHGKISWXYKLB-ZCFIWIBFSA-N 296.021 3.943 50 30 CHGC COc1cccc(C(=O)/C(C#N)=C/c2cccs2)c1 4344618 JJCHCLVWWXEFQH-FMIVXFBMSA-N 269.325 3.547 50 30 CHGC COc1ccc(C(C#N)=C(SC)SC)cc1 79592 NUXQBNJPXQBDSL-UHFFFAOYSA-N 251.376 3.613 50 30 CHGC CC(C)c1ccc(C2=NO[C@@H]([C@@H](C)Cl)C2)cc1 217000987 WMFKETYGJUYTPH-QMTHXVAHSA-N 251.757 3.930 50 30 CHGC C=CCOC[C@@H](Cl)COP(Cl)Cl 111900033 SXJJQLIDIMYMKV-ZCFIWIBFSA-N 251.477 3.518 50 30 CHGC O=C(CCl)c1ccc(CCc2ccccc2)cc1 33495476 CKNPQHZYZCDMFH-UHFFFAOYSA-N 258.748 3.893 50 30 CHGC COc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OC 72228 GPSGSMDCUCRDGD-OQLLNIDSSA-N 295.338 3.777 50 30 CHGC F[C@H](Cl)C(F)(F)Oc1cccc(Br)c1 2265385329 JITTUKDAIFQRBW-ZETCQYMHSA-N 289.478 3.955 50 30 CHGC ClCc1cc2c(Br)cncc2s1 701722457 ACZILPOXQXKKOR-UHFFFAOYSA-N 262.559 3.798 50 30 CHGC COC(=O)c1cc(CBr)c2ccccc2c1 36429430 KCPDQWWCJNTCML-UHFFFAOYSA-N 279.133 3.521 50 30 CHGC C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccccc1 195752411 PADKJHZREGCUJG-UHFFFAOYSA-N 298.607 3.669 50 30 CHGC C[Si](C)(C)Oc1ccc([Si]2(C)CCC2)cc1 195784093 BPYVLAVQGMSVJI-UHFFFAOYSA-N 250.490 3.590 50 30 CHGC CC(C)c1ccc(C2=NO[C@H]([C@@H](C)Cl)C2)cc1 217000981 WMFKETYGJUYTPH-YGRLFVJLSA-N 251.757 3.930 50 30 CHGC Cc1ccc(C(CBr)CBr)cc1 118099362 DYKLCMBGESOJSN-UHFFFAOYSA-N 292.014 3.868 50 30 CHGC CC(C)[Si](OC[C@@H](O)CCl)(C(C)C)C(C)C 953054866 XJCYJFKJXOFQSC-LBPRGKRZSA-N 266.885 3.778 50 30 CHGC ClCc1ccc(I)c(Cl)c1 216657912 MDWXDEKMZYMJSQ-UHFFFAOYSA-N 286.927 3.683 50 30 CHGC in-vitro CCOC(=O)/C=C/CCO[Si](C)(C)C(C)(C)C 195489582 YJTKYXDVMNVKEC-CSKARUKUSA-N 258.434 3.518 50 30 CHGC Fc1c(Cl)cc(Br)cc1CCl 75898760 IAWIRPWKAFHBFS-UHFFFAOYSA-N 257.917 3.980 50 30 CHGC COc1ccc(C/C(C#N)=C\Nc2ccccc2)cc1OC 33650502 WRWFNXNJEVRTQT-FYWRMAATSA-N 294.354 3.766 50 30 CHGC ClCc1ccc(Cl)cc1I 148487155 LMTOEUJWIMYGAU-UHFFFAOYSA-N 286.927 3.683 50 30 CHGC CC(C)(C)[Si](C)(C)Oc1c(C=O)ccc2c1OCO2 2265352055 OPMTXIRMJPTSJK-UHFFFAOYSA-N 280.396 3.612 50 30 CHGC Cc1cc(C)c(C2=NO[C@@H]([C@@H](C)Cl)C2)cc1C 235136169 WZCWUUSVZTWEGO-BXUZGUMPSA-N 251.757 3.732 50 30 CHGC CC(C)(C)OC(=O)N[C@@H](CCBr)C(C)(C)C 231174400 ZTQFXJZJKGDUEL-VIFPVBQESA-N 294.233 3.711 50 30 CHGC Cc1c(Cc2ccccc2N=C=O)cccc1N=C=O 111904314 AYEGYNYLXCZWQH-UHFFFAOYSA-N 264.284 3.520 50 30 CHGC COC(=O)[C@@H](Cl)c1ccc(Cl)c(Br)c1 137236198 ABAXADKQAQWNBX-QMMMGPOBSA-N 297.963 3.555 50 30 CHGC