smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](I)C1 307448337 LFIJVIAYHHLYBL-SFYZADRCSA-N 322.146 2.180 50 30 DEGC C=CCNC(=S)NCCC[Si](OCC)(OCC)OCC 195765707 PSFQGWZJTWOKRW-UHFFFAOYSA-N 320.531 2.075 50 30 DEGC O=C1OC(=O)c2ccccc2C1=NNc1cccc([N+](=O)[O-])c1 254303069 IRUCZGVNPNWRFQ-UHFFFAOYSA-N 311.253 2.108 50 30 DEGC Cc1nc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2)s1 121793 HAHLUYADNBAPIR-UHFFFAOYSA-N 309.778 2.488 50 30 DEGC CCCCCCC#Cc1cncc(C(=O)NNC(=S)NC)c1 95660911 MGBURNKQOPANOC-UHFFFAOYSA-N 318.446 2.142 50 30 DEGC COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cccnc2)cc1 112728 JJRHMSDWMBJDRF-RGVLZGJSSA-N 321.340 2.244 50 30 DEGC CC(C)(C)NC1=C(C#N)C(=O)N[C@@H](c2ccccc2O)S1 20421140 VZZWGTQOKUFATM-CYBMUJFWSA-N 303.387 2.377 50 30 DEGC CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H]2C[C@H]1Oc1nc(=O)ccn12 196878714 GRCMIIHREXFDGU-NTZNESFSSA-N 324.453 2.314 50 30 DEGC CN(C)n1cccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 148828 ZWNDNXJYEZTWMA-VXLYETTFSA-N 324.306 2.468 50 30 DEGC COc1cc(C(=O)CBr)c([N+](=O)[O-])cc1OC 21989457 CCDONIOLJZLXJZ-UHFFFAOYSA-N 304.096 2.190 50 30 DEGC IC[C@@H]1CN(c2ccccc2)CCO1 299805226 DNLPMLQXXOAQNK-LLVKDONJSA-N 303.143 2.327 50 30 DEGC O=C(NCCOCCBr)OCc1ccccc1 575409830 JGVIOYRJGYAMPF-UHFFFAOYSA-N 302.168 2.324 50 30 DEGC CCO[Si](C)(N1CCCCCC1=O)N1CCCCCC1=O 195766973 YKNQNMMSURULGO-UHFFFAOYSA-N 312.486 2.397 50 30 DEGC CN(C)C=NC(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 2265276890 KTVPLEYGNXTEBY-UHFFFAOYSA-N 323.706 2.405 50 30 DEGC COc1ccc(CCCCNCCSS(=O)(=O)O)cc1 31319625 GVAQGXFHYGHMRN-UHFFFAOYSA-N 319.448 2.144 50 30 DEGC O=C(NNC(=O)c1cccs1)NC(=O)c1ccccc1Cl 4336102 FFLVIZWDDWMFBT-UHFFFAOYSA-N 323.761 2.186 50 30 DEGC O=c1oc2ccc([N+](=O)[O-])cc2n1CCCBr 35329157 CSWZOAHKUYSXRZ-UHFFFAOYSA-N 301.096 2.288 50 30 DEGC in-vitro CNc1ccccc1C(=O)NNC(=O)c1ccccc1Cl 145459 FTGSZELIKIWSKZ-UHFFFAOYSA-N 303.749 2.457 50 30 DEGC CN(NC(=O)c1ccncc1Cl)c1cnc2ccccc2n1 113145 QZBOACTURJFZIL-UHFFFAOYSA-N 313.748 2.459 50 30 DEGC N#CC1=C(C(N)=O)N=C(c2ccccc2)[C@H](c2ccccc2)N1 49942680 CJGBOMKIDGTJEG-HNNXBMFYSA-N 302.337 2.041 50 30 DEGC Cc1cc(C)nc(N/C=C(\C#N)S(=O)(=O)Cc2ccco2)n1 18279950 AJJLUWHBXDOUHO-MDWZMJQESA-N 318.358 2.078 50 30 DEGC Cn1cc(Cl)c(/C=C(\C#N)S(=O)(=O)c2ccccc2)n1 77500 NXFGGNNSZYBJCM-YRNVUSSQSA-N 307.762 2.412 50 30 DEGC NC(=O)[C@@]1(c2ccc(Cl)cc2Cl)O[C@H]1Br 6091996 VCQVXLBFBWVZNI-APPZFPTMSA-N 310.962 2.425 50 30 DEGC CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)CCl 238856357 VTHBKGXYYOJNTJ-VIFPVBQESA-N 321.801 2.419 50 30 DEGC COc1ccc(C(=CC(=O)NNc2ccccc2)C(=O)O)cc1 2265271944 NFUGTVTVAXVZJX-UHFFFAOYSA-N 312.325 2.307 50 30 DEGC CSC1=NC=C(C#N)C2=N[C@@H](c3ccc(N(C)C)cc3)NN12 168000 FWEQXFNYWOERGQ-CYBMUJFWSA-N 312.402 2.110 50 30 DEGC CCN/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 20442252 AFRHJZDRRXFDSM-DHZHZOJOSA-N 315.192 2.197 50 30 DEGC Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccccc1 154320 UTQDKLZEUUXTEG-UHFFFAOYSA-N 309.329 2.109 50 30 DEGC O=C(NNC(=S)Nc1cccc(Cl)c1)c1cccnc1 3153671 NJYMISXXRRVNJZ-UHFFFAOYSA-N 306.778 2.366 50 30 DEGC COc1cscc1C(=O)NNC(=O)c1ccc(Cl)cc1 126551 OGPDEXFLDWQLNX-UHFFFAOYSA-N 310.762 2.485 50 30 DEGC CC(C)(O)C(C)(C)OB(OOCC1CC1)c1ccc(F)cc1 604972779 VECMPGLWJNJANC-UHFFFAOYSA-N 310.174 2.445 50 30 DEGC CC(=O)NNC(=O)c1cc2sccc2nc1C(F)(F)F 1495729 JWIZYSKKQNIURY-UHFFFAOYSA-N 303.265 2.096 50 30 DEGC ClCC1OC(CCl)OC(CCl)OC(CCl)O1 100371192 FGSYJTSGMGQEGO-UHFFFAOYSA-N 313.992 2.326 50 30 DEGC NNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 119923 ZFTMTPUSGHYBNR-UHFFFAOYSA-N 302.117 2.164 50 30 DEGC CC(C)(O)C(C)(C)OB(OOCC1CC1)c1cccc(F)c1 604972780 VNIQVOZVOPACOJ-UHFFFAOYSA-N 310.174 2.445 50 30 DEGC Cc1nnsc1C(=O)NNc1c(Cl)cncc1Cl 146804 LLWXUGIMPNTRKH-UHFFFAOYSA-N 304.162 2.305 50 30 DEGC CCCS(=O)(=O)/C(C#N)=C/Nc1ccc2c(c1)OCCO2 4347546 XDJJHQYDZOSLPT-ZRDIBKRKSA-N 308.359 2.059 50 30 DEGC COC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 4336143 NQRLEUSVMVANAW-WQLSENKSSA-N 301.302 2.275 50 30 DEGC COc1ccc([C@H]2CC(C)=C(C#N)S(=O)(=O)[C@H]2C#N)cc1 142851 IBNTYHCLZQUSPL-HIFRSBDPSA-N 302.355 2.287 50 30 DEGC CCOC(=O)C12CC(CI)(C1)OC2(C)C 1535640703 STPHITMXEBVHOB-UHFFFAOYSA-N 324.158 2.312 50 30 DEGC N#C/C(=C\c1csc([N+](=O)[O-])c1)S(=O)(=O)c1ccccn1 6500273 DTXYTKGWVIXIAR-BJMVGYQFSA-N 321.339 2.390 50 30 DEGC CCOCCO[Si](CC)(OCCOCC)OCCOCC 195812056 PUMRXZLAGZFRGO-UHFFFAOYSA-N 324.490 2.105 50 30 DEGC N#C/C(=C\Nc1ccc(Cl)cn1)S(=O)(=O)c1ccccn1 6146405 QXPSTQCHOYMNEY-PKNBQFBNSA-N 320.761 2.381 50 30 DEGC Cc1ccc(NNC(=O)NC(=O)c2c(F)cccc2Cl)nn1 92873 BXBAGGGLCZDTKY-UHFFFAOYSA-N 323.715 2.044 50 30 DEGC CCN(CC)C(=O)C(C#N)=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 2265306979 MAZRYCCTAIVEQP-UHFFFAOYSA-N 319.317 2.084 50 30 DEGC COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1 163581 UEDQHAFULILZSB-UHFFFAOYSA-N 315.398 2.256 50 30 DEGC Cc1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1 121449 HIRKIJGEUWEQKF-UHFFFAOYSA-N 313.235 2.077 50 30 DEGC O=C(Cl)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 38657127 FSGCGIQIMWKLGJ-UHFFFAOYSA-N 306.726 2.443 50 30 DEGC NC(=O)[C@]1(c2ccc(Cl)cc2Cl)O[C@H]1Br 6091978 VCQVXLBFBWVZNI-VXNVDRBHSA-N 310.962 2.425 50 30 DEGC CC(C)(O)C(C)(C)OB(OOCC1CC1)c1ccccc1F 604936268 BRSZSRFNNDHVGT-UHFFFAOYSA-N 310.174 2.445 50 30 DEGC NNC(=O)c1cc(COc2cc(Cl)cc(Cl)c2)on1 118896 QRPJKDSLKFHNSA-UHFFFAOYSA-N 302.117 2.164 50 30 DEGC CSc1nc(N/C=C(\C#N)C(=O)C2CC2)nc(C2CC2)n1 3126565 LKOORTLPQGVBEK-JXMROGBWSA-N 301.375 2.269 50 30 DEGC CC(C)(C)NC1=C(C#N)C(=O)N[C@H](c2ccccc2O)S1 20421142 VZZWGTQOKUFATM-ZDUSSCGKSA-N 303.387 2.377 50 30 DEGC CN(C)/C=N/NC(=O)COc1ccc(SC(F)(F)F)cc1 4300619 RAJOYQPSZMCGBY-LZYBPNLTSA-N 321.324 2.298 50 30 DEGC IC[C@@]1(c2ccccc2)COCCO1 950757239 KMXFUKFYRRTJKZ-NSHDSACASA-N 304.127 2.364 50 30 DEGC CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2C[C@H]1Oc1nc(=O)ccn12 195933007 GRCMIIHREXFDGU-NQBHXWOUSA-N 324.453 2.314 50 30 DEGC COc1cc(OC)cc(N2CC[C@H](Br)C2=O)c1 72266640 PXSYUVUTAWDSIZ-NSHDSACASA-N 300.152 2.204 50 30 DEGC in-vitro CN1C2=C(C(=O)OC2=O)N(c2ccccc2)Cc2ccccc21 136030248 PETMHYSQSAQYED-UHFFFAOYSA-N 306.321 2.438 50 30 DEGC COc1cc(OC)cc(N2CC[C@@H](Br)C2=O)c1 72266641 PXSYUVUTAWDSIZ-LLVKDONJSA-N 300.152 2.204 50 30 DEGC in-vitro COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1ccc[nH]1 80286 POMSMBGHHCUDNL-VQHVLOKHSA-N 301.327 2.408 50 30 DEGC O=C(CCl)Oc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC2 168760568 XRDSCFHKHGGCDR-SNVBAGLBSA-N 321.682 2.497 50 30 DEGC Cc1cc(C(=O)NNC(=O)c2cccs2)nn1C(C)(C)C 117804 QSFPVEPQHHOVNX-UHFFFAOYSA-N 306.391 2.083 50 30 DEGC COc1ccc([C@H]2CC(C)=C(C#N)S(=O)(=O)[C@@H]2C#N)cc1 142856 IBNTYHCLZQUSPL-UKRRQHHQSA-N 302.355 2.287 50 30 DEGC N#CC1=C(N)Oc2ccc(Br)cc2[C@H]1C(C#N)C#N 79847 LXQDTMNJKPKLSK-GFCCVEGCSA-N 315.130 2.282 50 30 DEGC O=C(NC1(C(=O)CBr)CCCCC1)C(F)(F)F 128947083 FDPXISFIKDSMNC-UHFFFAOYSA-N 316.117 2.332 50 30 DEGC CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](C#N)C1 307448338 LFIJVIAYHHLYBL-YUMQZZPRSA-N 322.146 2.180 50 30 DEGC Cc1cccc(C)c1NC(=S)NNC(=O)c1cccnc1 66867 DACFDIFORGEISR-UHFFFAOYSA-N 300.387 2.330 50 30 DEGC CCOC(=O)Nc1ccccc1C(=O)NCCBr 33608381 XDURMDIAKBDTQF-UHFFFAOYSA-N 315.167 2.380 50 30 DEGC BrC12COC(CI)(C1)C2 2265385027 QMBIUOJMRRBQFB-UHFFFAOYSA-N 302.937 2.118 50 30 DEGC N/C(=N\OC(=O)C(Cl)Cl)c1cccc(-n2cccc2)c1 4365057 CEXTWMOEUKUITD-UHFFFAOYSA-N 312.156 2.445 50 30 DEGC CCOC(=O)N[C@H](Cc1ccccc1)C(=O)CBr 128890126 PWMOVBGWHOEIOS-LLVKDONJSA-N 314.179 2.308 50 30 DEGC Cc1nn(C)c(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 4323893 UEXGLGJJVBMAOZ-UHFFFAOYSA-N 309.713 2.047 50 30 DEGC COc1cc(C(=O)CBr)cc(OC)c1OC(C)=O 95830002 DQLCIZRXDSMYEF-UHFFFAOYSA-N 317.135 2.207 50 30 DEGC Cc1nn(C)c(N(C)C(=O)CCl)c1C(=O)c1ccccc1F 33605241 FJFWRDDAYRSVMB-UHFFFAOYSA-N 323.755 2.300 50 30 DEGC NNC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)cs1 216739666 QMDOGLTWQXSKLK-UHFFFAOYSA-N 303.265 2.312 50 30 DEGC NNC(=O)CSCC(=O)Nc1ccc(C2CCCCC2)cc1 2143960 NRAFEKOAMOCJMF-UHFFFAOYSA-N 321.446 2.396 50 30 DEGC N#CC1=C(N)Oc2ccc(Br)cc2[C@@H]1C(C#N)C#N 79848 LXQDTMNJKPKLSK-LBPRGKRZSA-N 315.130 2.282 50 30 DEGC Cc1noc(C(F)(F)F)c1C(=O)NNC(=O)c1ccccc1 108913 DMABZHMZJFCSFW-UHFFFAOYSA-N 313.235 2.077 50 30 DEGC O=C(NNC(=O)c1csc(-c2cccnc2)n1)c1ccccc1 172311 IULXYATWZVFRIR-UHFFFAOYSA-N 324.365 2.280 50 30 DEGC CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)CCl 238856356 VTHBKGXYYOJNTJ-SECBINFHSA-N 321.801 2.419 50 30 DEGC O=S(=O)([C@H](Br)CBr)C(F)(F)F 214592583 WXACVUWKAXCKRE-REOHCLBHSA-N 319.924 2.037 50 30 DEGC COC(=O)c1ccsc1N1CC[C@H](Br)C1=O 72266333 ZIWNELSOOBYSMR-ZETCQYMHSA-N 304.165 2.035 50 30 DEGC in-vitro O=C(NNC(=O)c1ccccc1)NC(=O)c1ccccc1Cl 3078865 FRFLDWMIPHJOEK-UHFFFAOYSA-N 317.732 2.124 50 30 DEGC N#C/C(=C\Nc1ncccn1)S(=O)(=O)c1ccccc1Cl 95066 BFFAREXSSYDROR-MDZDMXLPSA-N 320.761 2.381 50 30 DEGC O=[S@@]([C@@H](Br)CBr)C(F)(F)F 667355103 ZYGJMEPSZYHFHV-LRQHDJKPSA-N 303.925 2.371 50 30 DEGC Nc1c(C(=O)N/N=C/c2ccccc2)cnn1-c1ccccc1 154391 RVJRVOSWGCDSHL-YBFXNURJSA-N 305.341 2.218 50 30 DEGC CCCNC(=S)NNC(=O)Cc1ccc(Cl)c(Cl)c1 4394942 BAIRHSXXOQFGKQ-UHFFFAOYSA-N 320.245 2.441 50 30 DEGC IC[C@]1(c2ccccc2)COCCO1 950757238 KMXFUKFYRRTJKZ-LLVKDONJSA-N 304.127 2.364 50 30 DEGC O=P(CN1CCOCC1)(c1ccccc1)c1ccccc1 73291797 ZDEKTDYYYBITIR-UHFFFAOYSA-N 301.326 2.290 50 30 DEGC Cc1nnsc1C(=O)NNC(=O)c1cccc2ccccc12 154027 YWBVYUWACFSHEN-UHFFFAOYSA-N 312.354 2.075 50 30 DEGC O=C(NNC(=O)c1c(F)cccc1F)c1c(F)cccc1F 110252 VMZVPXQHJIONRJ-UHFFFAOYSA-N 312.222 2.318 50 30 DEGC CSC1=C(C#N)C(=O)N[C@H](c2ccc3c(c2)OCO3)S1 138420 XMBNHWSASKYVRA-LBPRGKRZSA-N 306.368 2.375 50 30 DEGC COc1ccc([C@@H]2CC(C)=C(C#N)S(=O)(=O)[C@@H]2C#N)cc1 142858 IBNTYHCLZQUSPL-DZGCQCFKSA-N 302.355 2.287 50 30 DEGC O=[S@]([C@@H](Br)CBr)C(F)(F)F 667355105 ZYGJMEPSZYHFHV-ZDGPIUJSSA-N 303.925 2.371 50 30 DEGC CN(NC(=O)c1ccc(Cl)cc1)c1ncccc1[N+](=O)[O-] 4306539 DDJOREGMVNAGOI-UHFFFAOYSA-N 306.709 2.424 50 30 DEGC CCOc1cccc(NC(=O)CI)c1 2017913 CBJNNMBPADWFDD-UHFFFAOYSA-N 305.115 2.459 50 30 DEGC CN(NC(=O)c1ccccc1Cl)c1ncccc1[N+](=O)[O-] 4306541 ANPXRJALFGSPDV-UHFFFAOYSA-N 306.709 2.424 50 30 DEGC Cc1ccn2c(C(=O)NNC(=O)c3ccccc3)c(C)nc2c1 154368 CVZHMMZDRVOPPO-UHFFFAOYSA-N 308.341 2.026 50 30 DEGC CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)CBr 306969108 IFAKPIGUBYQOLE-MBTKJCJQSA-N 304.184 2.063 50 30 DEGC O=C(NP(=O)(N1CC1)N1CC1)c1ccc(C(F)(F)F)cc1 95854781 XUEXERYPJFMZOH-UHFFFAOYSA-N 319.223 2.175 50 30 DEGC CC(C)(C)OC(=O)CN1CCCC[C@@H](Br)C1=O 59635586 XWWQXZGILSQDSV-SECBINFHSA-N 306.200 2.104 50 30 DEGC O=C(NC1(CBr)COC1)OCc1ccccc1 584601025 JXUXCCPRCVCYNF-UHFFFAOYSA-N 300.152 2.077 50 30 DEGC CCCCNC(=O)NNC(=O)c1cccn1-c1ccc(F)cc1 3466903 YNQJJPCFWIDAHZ-UHFFFAOYSA-N 318.352 2.361 50 30 DEGC Cc1nc(-c2cnccc2C(F)(F)F)sc1C(=O)NN 124551 YMWSEGYZFNWTKA-UHFFFAOYSA-N 302.281 2.136 50 30 DEGC Cc1cccc(-n2cnc(C(=O)NN=Cc3ccccc3)c2)n1 8580041 KTNRBZNVLVIZBR-UHFFFAOYSA-N 305.341 2.340 50 30 DEGC aggregator Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)NN 124478 LXAJHYFFTSOCIK-UHFFFAOYSA-N 302.281 2.136 50 30 DEGC NC(=O)[C@@]1(c2ccc(Cl)cc2Cl)O[C@@H]1Br 6091998 VCQVXLBFBWVZNI-CBAPKCEASA-N 310.962 2.425 50 30 DEGC COc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1O 137342 ZDMGXFPXLSOUIR-WOJGMQOQSA-N 313.357 2.231 50 30 DEGC COCCCN/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 20442215 AEMPHKNWGNGBSZ-JLHYYAGUSA-N 314.794 2.105 50 30 DEGC CN(NC(=O)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cn1 4364963 QLDPOZWDRKOWEU-UHFFFAOYSA-N 308.244 2.049 50 30 DEGC CCN(CC)c1ccc(C=NNC(=O)c2ccncc2)c(O)c1 252460623 GWQPCBPAOAFXSJ-UHFFFAOYSA-N 312.373 2.397 50 30 DEGC O=[N+]([O-])c1cc(CBr)n(CCBr)n1 113252317 KOEOHTKJNSKFKF-UHFFFAOYSA-N 312.949 2.081 50 30 DEGC N/C(=N\NC(=O)c1cccs1)c1ccc(C(F)(F)F)cn1 4394789 UKSJGICEXULMTF-UHFFFAOYSA-N 314.292 2.212 50 30 DEGC Cn1ccnc1S(=O)(=O)/C(C#N)=C/c1ccccc1Cl 96337 BJBRRIKCLCVXRP-DHZHZOJOSA-N 307.762 2.412 50 30 DEGC COC(=O)c1ccsc1N1CC[C@@H](Br)C1=O 72266334 ZIWNELSOOBYSMR-SSDOTTSWSA-N 304.165 2.035 50 30 DEGC in-vitro CC(=O)O[C@H]1CCC=C(CCBr)[C@H]1OC(C)=O 139723529 AYQBNTTZMOPFKD-NWDGAFQWSA-N 305.168 2.355 50 30 DEGC NNC(=O)CSc1cc(Oc2ccc(Cl)cc2)ncn1 33892196 WRMHKXIWDZVDJX-UHFFFAOYSA-N 310.766 2.004 50 30 DEGC COCCCNC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 13658462 XMVYGPQVCUNLLN-UHFFFAOYSA-N 323.462 2.130 50 30 DEGC COc1ccccc1B(OOCC1CC1)OC(C)(C)C(C)(C)O 604936269 GNTKPSYDNWNXPK-UHFFFAOYSA-N 322.210 2.315 50 30 DEGC O=[S@]([C@H](Br)CBr)C(F)(F)F 667355104 ZYGJMEPSZYHFHV-OGLHPLBBSA-N 303.925 2.371 50 30 DEGC O=C(NNC(=O)C(Cl)Cl)c1sccc1-n1cccc1 140777 SQSNTJAPVRQLSZ-UHFFFAOYSA-N 318.185 2.104 50 30 DEGC CCN(CC)O[Si](C)(ON(CC)CC)ON(CC)CC 197109698 WOFLNHIWMZYCJH-UHFFFAOYSA-N 307.511 2.375 50 30 DEGC O=C(Cc1ccccc1Cl)N/N=C(/C(=O)O)c1ccccc1 4709491 CGWVAUXUTDXZAA-XDJHFCHBSA-N 316.744 2.488 50 30 DEGC CN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 137355 WKECCAYUGXRFSS-UHFFFAOYSA-N 317.776 2.481 50 30 DEGC Cc1c(C(=O)NNc2c(Cl)cccc2Cl)n(C)oc1=O 121672 XBHWEVNTDOQXPD-UHFFFAOYSA-N 316.144 2.350 50 30 DEGC Cc1onc(C(=O)NN)c1-c1csc(-c2ccccc2)n1 122422 WBGLQJQYKOMIGM-UHFFFAOYSA-N 300.343 2.377 50 30 DEGC COc1ccc(CNC(=O)CCBr)c(OC)c1 125001914 ZJSRKXXWAINJSU-UHFFFAOYSA-N 302.168 2.105 50 30 DEGC O=C(NC1(C(=O)CBr)CC1)OCc1ccccc1 129014253 XPXXUQWEZBZLMN-UHFFFAOYSA-N 312.163 2.409 50 30 DEGC CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](C#N)C1 307448334 LFIJVIAYHHLYBL-HTQZYQBOSA-N 322.146 2.180 50 30 DEGC COc1ccc([C@@H]2CC(C)=C(C#N)S(=O)(=O)[C@H]2C#N)cc1 142853 IBNTYHCLZQUSPL-ZFWWWQNUSA-N 302.355 2.287 50 30 DEGC CC(C)(C)OC(=O)CN1CCCC[C@H](Br)C1=O 59635583 XWWQXZGILSQDSV-VIFPVBQESA-N 306.200 2.104 50 30 DEGC CC(C)(C)OC(=O)N1C[C@@H](I)[C@@H](C#N)C1 307448335 LFIJVIAYHHLYBL-JGVFFNPUSA-N 322.146 2.180 50 30 DEGC COC(=O)/C(C#N)=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4336146 XBILZIMYYCTVPQ-XYOKQWHBSA-N 301.302 2.275 50 30 DEGC COc1ccc(CC(=O)N/N=C/c2cccs2)cc1OC 100445 XHSJLVAAGCTIRT-MHWRWJLKSA-N 304.371 2.458 50 30 DEGC CC(C)S(=O)(=O)/C(C#N)=C/N1CCC(C(F)(F)F)CC1 126657 LTEWQGGBJIYODK-DHZHZOJOSA-N 310.341 2.449 50 30 DEGC COC(=O)c1sccc1-c1ccc(/C(C)=N/NC(N)=O)o1 13468996 AFCQMXUQLBHIRF-VIZOYTHASA-N 307.331 2.187 50 30 DEGC O=[S@@]([C@H](Br)CBr)C(F)(F)F 667355102 ZYGJMEPSZYHFHV-HWEYBBGXSA-N 303.925 2.371 50 30 DEGC Cc1cccc(-n2cnc(C(=O)NN=Cc3cccs3)c2)n1 254395670 ZFJCOPPLJPYJAV-UHFFFAOYSA-N 311.370 2.401 50 30 DEGC COCCCN1C(=O)COc2ccc(CBr)cc21 40435192 YYYPUGIQQUSTSA-UHFFFAOYSA-N 314.179 2.343 50 30 DEGC Cn1c([N+](=O)[O-])cnc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 92945 SKDGIMZHRZLHLJ-RMKNXTFCSA-N 315.264 2.013 50 30 DEGC CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)CBr 34532340 PWMOVBGWHOEIOS-NSHDSACASA-N 314.179 2.308 50 30 DEGC CN(C)c1ccc(/C=C(\C#N)C(=O)OCC[n+]2ccccc2)cc1 33953671 ZISOSDDPAIXRDS-SAPNQHFASA-N 322.388 2.190 50 30 DEGC Cc1nc(C(=O)NNC(=O)c2ccccc2)c(C(F)(F)F)o1 77604 HTVMJVAWDFVFQI-UHFFFAOYSA-N 313.235 2.077 50 30 DEGC CCOC(=O)C1(NC(=O)N(CCCl)N=O)CCCCC1 4934741 FPIQZBQZKBKLEI-UHFFFAOYSA-N 305.762 2.184 50 30 DEGC O=C(NNC(=O)c1cnccc1C(F)(F)F)c1ccccc1 77472 KPOYLYQMNZEUET-UHFFFAOYSA-N 309.247 2.175 50 30 DEGC O=C(NNC(=S)Nc1ccccc1C(F)(F)F)C1CC1 13658908 YJJNKOCOJUTALH-UHFFFAOYSA-N 303.309 2.433 50 30 DEGC CNC(=S)NNC(=O)c1sc(SC)c2c1CCC=C2 4351150 IBFPVDBYJJKJAE-UHFFFAOYSA-N 313.473 2.168 50 30 DEGC CC(=O)NC(=O)/C(C#N)=C/Nc1ccccc1OC(F)(F)F 170826 XYDQHMCAUKRXNN-VQHVLOKHSA-N 313.235 2.067 50 30 DEGC CN(C)C(CBr)=C1N=C(c2ccccc2)OC1=O 2265272032 JEIMCYWWUAINBZ-UHFFFAOYSA-N 309.163 2.158 50 30 DEGC O=S(=O)(c1cccc(CBr)c1)N1CCCC1 888084812 YGYHSWQSQUIRCD-UHFFFAOYSA-N 304.209 2.366 50 30 DEGC NNC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 160501 FRIFKDDEMXZPEN-GXDHUFHOSA-N 315.760 2.101 50 30 DEGC CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)CBr)[C@H]2C1 306969109 IFAKPIGUBYQOLE-YUMQZZPRSA-N 304.184 2.063 50 30 DEGC Cc1cc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)no1 122053 GMXGDBUHZZWUTK-UHFFFAOYSA-N 313.235 2.077 50 30 DEGC NC(=O)[C@]1(c2ccc(Cl)cc2Cl)O[C@@H]1Br 6091980 VCQVXLBFBWVZNI-IONNQARKSA-N 310.962 2.425 50 30 DEGC N#CC(C#N)=Cc1cccn1S(=O)(=O)c1ccc(F)cc1F 110437 ZTOAVVAYMGENGA-UHFFFAOYSA-N 319.292 2.434 50 30 DEGC N#CC1=C(C(N)=O)N=C(c2ccccc2)[C@@H](c2ccccc2)N1 49942679 CJGBOMKIDGTJEG-OAHLLOKOSA-N 302.337 2.041 50 30 DEGC IC[C@H]1CN(c2ccccc2)CCO1 299805227 DNLPMLQXXOAQNK-NSHDSACASA-N 303.143 2.327 50 30 DEGC CSC1=C(C#N)C(=O)N[C@@H](c2ccc3c(c2)OCO3)S1 138416 XMBNHWSASKYVRA-GFCCVEGCSA-N 306.368 2.375 50 30 DEGC COP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 100070223 CCTYCPDETARRDH-UHFFFAOYSA-N 322.213 2.378 50 30 DEGC CSC1=NC=C(C#N)C2=N[C@H](c3ccc(N(C)C)cc3)NN12 168004 FWEQXFNYWOERGQ-ZDUSSCGKSA-N 312.402 2.110 50 30 DEGC CC(C)NC(=O)NNC(=O)c1csc(Cc2ccsc2)n1 3129198 FTXHFYRIUGTGMK-UHFFFAOYSA-N 324.431 2.148 50 30 DEGC O=S(=O)([C@@H](Br)CBr)C(F)(F)F 214592527 WXACVUWKAXCKRE-UWTATZPHSA-N 319.924 2.037 50 30 DEGC CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)CBr)[C@@H]2C1 306969107 IFAKPIGUBYQOLE-HTQZYQBOSA-N 304.184 2.063 50 30 DEGC CCN(CC)c1ncc(C=NNC(=O)c2ccncc2)s1 254440382 DWROXXZCHRRDAA-UHFFFAOYSA-N 303.391 2.148 50 30 DEGC N#C/C(=C\N1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1 91444 QKSIILYOQVQXID-MDZDMXLPSA-N 309.728 2.157 50 30 DEGC CCOC(=O)/C(C#N)=C/NC1CCN(Cc2ccccc2)CC1 2161263 JTSSYZQOQLEUOP-DTQAZKPQSA-N 313.401 2.211 50 30 DEGC CCOC(=O)/C(C#N)=C/N/C(=N\N=C\c1cccs1)SC 4300240 AQHLRKMQNKAORB-VYWHLGQJSA-N 322.415 2.361 50 30 DEGC C[N+](C)(C)CCOC(=O)c1ccc(CBr)cc1 1649144 BNOCZYSAPOCFMG-UHFFFAOYSA-N 301.204 2.445 50 30 DEGC CS(=O)(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 125691 PASWYCOFYQUFCB-JXMROGBWSA-N 306.265 2.407 50 30 DEGC