smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(Cl)ccc1OCC(=O)O[Si](C)(C)[C@H](C)C#N 195756736 WMUAJQWGLYHEPK-LLVKDONJSA-N 311.841 3.689 50 30 DHGC COc1ccc(Br)c(C2=NO[C@@H]([C@H](C)Cl)C2)c1 234950689 IZFWEXNHWBCNBS-JVXZTZIISA-N 318.598 3.578 50 30 DHGC CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@]4(O)C#N)[C@H]2CC1 2265351324 DLGOTKYOTOLLKD-IOXPTURASA-N 313.441 3.954 50 30 DHGC COc1ccc(Br)cc1C1=NO[C@H]([C@H](C)Cl)C1 217006263 OXNJLNSTSIZAAA-MADCSZMMSA-N 318.598 3.578 50 30 DHGC Cc1cc(C(=O)CBr)cc(C)c1Br 306428857 AJIKWDMSHSXCND-UHFFFAOYSA-N 305.997 3.644 50 30 DHGC CN(C)C(C=CNc1cc(Cl)cc(Cl)c1)=C(C#N)C#N 2265279427 YPWVYUCBFXPYRX-UHFFFAOYSA-N 307.184 3.782 50 30 DHGC CC(C)(C)OC(=O)Nc1ccc(CCBr)cc1 2511436 PZQUDCWKTICTHY-UHFFFAOYSA-N 300.196 3.971 50 30 DHGC Cn1cc(Cl)c(/C=C(\C#N)C(=O)c2ccc(Cl)cc2)n1 4382874 TZMQQRVBRWKEHI-UXBLZVDNSA-N 306.152 3.517 50 30 DHGC CC(C)(C)OC(=O)N1CCC(c2cc(CCl)on2)CC1 399570946 IVMXQYIAOYWZNN-UHFFFAOYSA-N 300.786 3.528 50 30 DHGC CC1(C)CCC2(CC[C@H](CI)O2)CC1 307271896 CSFKXUOUYWWNAL-SNVBAGLBSA-N 308.203 3.939 50 30 DHGC CCCCC#Cc1ccc(C(=O)N/N=C/c2cccc(OC)c2)o1 4364176 RVRNYYOKYGDKJR-XSFVSMFZSA-N 324.380 3.594 50 30 DHGC CN(C)NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)o1 35606164 CMAKLOCMSYBFSI-UHFFFAOYSA-N 315.156 3.585 50 30 DHGC COc1ccc(C2=NO[C@@H]([C@@H](C)Cl)C2)cc1Br 217001476 IYVSVHBKOVPEES-JMCQJSRRSA-N 318.598 3.578 50 30 DHGC CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O 202360090 ASPAKSDHNNXVIB-NSHDSACASA-N 315.486 3.544 50 30 DHGC Cc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c(Cl)c1 100661 VYBUGOPJALNTBA-UHFFFAOYSA-N 322.751 3.917 50 30 DHGC C=CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43422664 KEZLGTVQHVUUNM-VMAIWCPRSA-N 308.418 3.813 50 30 DHGC Cc1ccccc1C=NNC(=O)c1ccccc1-n1cccc1 254382077 ZQFQZDMKMLSMPC-UHFFFAOYSA-N 303.365 3.550 50 30 DHGC COc1ccc(Br)cc1C1=NO[C@@H]([C@@H](C)Cl)C1 217006290 OXNJLNSTSIZAAA-JMCQJSRRSA-N 318.598 3.578 50 30 DHGC CC(C)(C)OC(=O)N1CCC[C@H](CCBr)CC1 1535538945 HLDDULAHALCXPD-LLVKDONJSA-N 306.244 3.809 50 30 DHGC COc1ccc(Br)c(C2=NO[C@H]([C@@H](C)Cl)C2)c1 234950877 IZFWEXNHWBCNBS-KRTXAFLBSA-N 318.598 3.578 50 30 DHGC CC(C)(C)OC(=O)N1Cc2ccc(CBr)cc2C1 95709696 LOERYTVWGCNDQL-UHFFFAOYSA-N 312.207 3.832 50 30 DHGC Cc1cccc(NNC(=O)c2c(-c3ccccc3)noc2C)c1 151820 IBRRTRPOBDKMOO-UHFFFAOYSA-N 307.353 3.715 50 30 DHGC CC(C)[C@H](Br)C(=O)Nc1cccc2ncccc12 19486115 UELVPHJPDIYPHI-ZDUSSCGKSA-N 307.191 3.593 50 30 DHGC in-vitro CC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 642772089 JJBXAYCSMKNDCI-UHFFFAOYSA-N 322.626 3.715 50 30 DHGC CC(C)[C@H](Br)C(=O)N1CCSc2ccccc21 37389899 QWKQHBLNOOMJQY-LBPRGKRZSA-N 314.248 3.545 50 30 DHGC C[Si](C)(C)[Si](C)(C)ONO[Si](C)(C)[Si](C)(C)C 195781863 PZHRDDHUUTUYHK-UHFFFAOYSA-N 309.707 3.683 50 30 DHGC O=C(N/N=C/c1ccccc1)c1csc(-c2cccs2)n1 121404 JYYBKZQFTBKMOE-CXUHLZMHSA-N 313.407 3.636 50 30 DHGC O=C(CBr)N1c2ccccc2CCc2ccccc21 104344342 NAAOKKMTXCHYBM-UHFFFAOYSA-N 316.198 3.845 50 30 DHGC CC1(C)CC(C)(C)[C@@H](Br)C(=O)[C@H]1Br 5762156 IZQKDIHFMIWQCL-OCAPTIKFSA-N 312.045 3.539 50 30 DHGC ClCCN(CCCl)Cc1cccc(Br)c1 95832252 ZNXPPVUOCIBZAF-UHFFFAOYSA-N 311.050 3.729 50 30 DHGC O=C(CCc1ccccc1)NNc1ccccc1C(F)(F)F 147147 DIVGZVNQUJIDJM-UHFFFAOYSA-N 308.303 3.781 50 30 DHGC CCc1ccc(C(=O)NNc2c(Cl)cncc2Cl)cc1 146797 OHMOVJHMFGYCRP-UHFFFAOYSA-N 310.184 3.708 50 30 DHGC CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CBr)CC1 238833258 AJOZRYSXFRMCKE-XYPYZODXSA-N 306.244 3.712 50 30 DHGC FC1(F)CCC2(CC[C@H](CI)O2)CC1 688284261 PYMNQGDQCXEDIG-MRVPVSSYSA-N 316.129 3.549 50 30 DHGC C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1O 131777 IBBOBFPPRZFNPH-KEBDBYFISA-N 322.286 3.565 50 30 DHGC O=C1c2cc(Br)ccc2SC[C@@H]1Br 307753085 UOSFBLJFYANCAB-ZETCQYMHSA-N 322.021 3.501 50 30 DHGC O=C(Cl)c1sc(Br)cc1Br 196033114 JBVNZKXQPUTMJG-UHFFFAOYSA-N 304.390 3.652 50 30 DHGC C[C@H](Br)c1ccc(I)cc1 118789114 GDOJIBUYYIFJJW-LURJTMIESA-N 310.960 3.747 50 30 DHGC BrCc1cc2c(Br)cncc2s1 701733029 JWJIFOXRIQVIEQ-UHFFFAOYSA-N 307.010 3.954 50 30 DHGC COc1ccc(/C=C(\C#N)c2cccs2)c(OC)c1OC 69244 MBIRTSVXEDZKRE-FMIVXFBMSA-N 301.367 3.838 50 30 DHGC FC(F)(F)c1ccccc1CCI 98089870 HIPIOCUVIHLDIP-UHFFFAOYSA-N 300.061 3.683 50 30 DHGC CC(C)(C)OC(=O)N1CCC[C@@H](CCBr)CC1 1535538946 HLDDULAHALCXPD-NSHDSACASA-N 306.244 3.809 50 30 DHGC O=[P@](O)(OC(Cl)Cl)c1ccccc1-c1ccccc1 223498165 ASVFRUUDSROYPS-UHFFFAOYSA-N 317.108 3.942 50 30 DHGC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CCBr)C2 667357834 DJFWQKOYVNYAAL-RYUDHWBXSA-N 318.255 3.950 50 30 DHGC CC(C)(C)S(=O)(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1 106499 MSWWSFWDRFEJQK-UXBLZVDNSA-N 301.770 3.557 50 30 DHGC COOC(=O)c1cc(-c2ccccc2)ccc1Br 604934440 APKGSNGLRBFURC-UHFFFAOYSA-N 307.143 3.834 50 30 DHGC CC1(C)CC(C)(C)[C@@H](Br)C(=O)[C@@H]1Br 5762158 IZQKDIHFMIWQCL-YUMQZZPRSA-N 312.045 3.539 50 30 DHGC CCO[Si](CC/C(N)=C(\C)CC(C)C)(OCC)OCC 196625438 CXWAJVKOZIEIAM-PFONDFGASA-N 303.519 3.704 50 30 DHGC Cc1ccsc1C(=O)NN=Cc1ccc2ccccc2c1O 252622663 NZWTWRNHYZNWNW-UHFFFAOYSA-N 310.378 3.679 50 30 DHGC Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)n(C(C)(C)C)n1 122036 YYYRBDOPNSZNLI-UHFFFAOYSA-N 314.433 3.827 50 30 DHGC C[Si](C)(C)OC(=O)c1ccc(C(=O)O[Si](C)(C)C)cc1 195781778 XNDCJULFVFHXBR-UHFFFAOYSA-N 310.498 3.670 50 30 DHGC CCCCOc1ccc(NC(=O)[C@@H](Cl)N2CCCCC2)cc1 223668295 KUOPIXUOZAJDDJ-INIZCTEOSA-N 324.852 3.855 50 30 DHGC O=C(NNc1ccc(OC(F)(F)F)cc1)C1CCCCC1 152279 SADWGXSFBSWCRN-UHFFFAOYSA-N 302.296 3.609 50 30 DHGC CSC1=C(C#N)C(=O)N[C@@H](c2cccc3ccccc23)S1 137130 WNBKSYTVBDFVAM-OAHLLOKOSA-N 312.419 3.800 50 30 DHGC CC1(C)CC(C)(C)[C@H](Br)C(=O)[C@H]1Br 5762157 IZQKDIHFMIWQCL-HTQZYQBOSA-N 312.045 3.539 50 30 DHGC O=C1[C@H](Br)CCCN1c1ccc(Cl)c(Cl)c1 70060813 UJGKWAZDRNQXCN-MRVPVSSYSA-N 323.017 3.884 50 30 DHGC CC(=O)/C(C#N)=C(\N)SCc1c(Cl)cccc1Cl 3170956 QNSUKTQZMBBIOW-XYOKQWHBSA-N 301.198 3.509 50 30 DHGC Cn1nc(C(F)(F)F)cc1-c1ccc(C=C(C#N)C#N)s1 149450 OPCLHTFFBHLMPT-UHFFFAOYSA-N 308.288 3.598 50 30 DHGC Cc1cc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)no1 140932 KVBNSAQRMHCLRE-BJMVGYQFSA-N 322.151 3.836 50 30 DHGC Fc1ccc2[nH]cc(CCCI)c2c1 221249397 JCWLKHZIWBBTOD-UHFFFAOYSA-N 303.118 3.675 50 30 DHGC O=C(N/N=C/C=C/c1ccccc1)N/N=C/C=C/c1ccccc1 3083203 OZCTVSCDEUZKBH-WOSNAGPGSA-N 318.380 3.684 50 30 DHGC Cc1cc(C)n(-c2ccc(-n3cccc3C=C(C#N)C#N)cc2)n1 110172 IUEXZRUUJZJDJZ-UHFFFAOYSA-N 313.364 3.710 50 30 DHGC Cc1ccccc1C=NNC(=O)c1sccc1-n1cccc1 2265279372 KAQINKCPXPNBQU-UHFFFAOYSA-N 309.394 3.611 50 30 DHGC CC(C)(C)c1cc(C=NC(C#N)=C(N)C#N)cc(C(C)(C)C)c1O 2265272039 KLWIFDHKAUSHPN-UHFFFAOYSA-N 324.428 3.624 50 30 DHGC COc1ccc(Br)cc1C1=NO[C@H]([C@@H](C)Cl)C1 217006271 OXNJLNSTSIZAAA-KRTXAFLBSA-N 318.598 3.578 50 30 DHGC CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](CBr)C1 306674783 RDXOGYMWINSTMZ-WDEREUQCSA-N 306.244 3.712 50 30 DHGC COc1ccc(Br)cc1C1=NO[C@@H]([C@H](C)Cl)C1 217006279 OXNJLNSTSIZAAA-JVXZTZIISA-N 318.598 3.578 50 30 DHGC COc1ccc2cccc(CCNC(=O)CCCCl)c2c1 13738641 UFSCDJCKUMWYAM-UHFFFAOYSA-N 305.805 3.526 50 30 DHGC N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@@H]1c1cccs1 138897 ZXTZAQSXPOIKBF-ZDUSSCGKSA-N 311.391 3.552 50 30 DHGC O=C(NNc1ccc(F)cc1F)c1c(F)cccc1Cl 152325 QVRFKZXKVYYXDJ-UHFFFAOYSA-N 300.667 3.514 50 30 DHGC CC(C)[C@@H](Br)C(=O)N1CCSc2ccccc21 37389901 QWKQHBLNOOMJQY-GFCCVEGCSA-N 314.248 3.545 50 30 DHGC Fc1c(F)c(CBr)c(F)c(F)c1Br 238563543 WOPOBCPPAUSCFM-UHFFFAOYSA-N 321.893 3.900 50 30 DHGC in-vitro CCc1ccccc1NNC(=O)c1c(-c2ccccc2)noc1C 148631 RZHRXGWLJQRUEA-UHFFFAOYSA-N 321.380 3.969 50 30 DHGC CC(C)(C)OC(=O)NCCc1ccc(CBr)cc1 202541990 IBRSMNFKTXUPKS-UHFFFAOYSA-N 314.223 3.649 50 30 DHGC Clc1ccc(C2(CBr)OCCO2)c(Cl)c1 6091927 KSCVSVDHVXNGCH-UHFFFAOYSA-N 311.990 3.588 50 30 DHGC CCOC(=O)/C(C#N)=C/c1cccn1-c1ccc(Cl)cc1 138528 HFRWKXIKGHEYDM-ZRDIBKRKSA-N 300.745 3.601 50 30 DHGC O=C1[C@@H](Br)CCCN1c1ccc(Cl)c(Cl)c1 70060812 UJGKWAZDRNQXCN-QMMMGPOBSA-N 323.017 3.884 50 30 DHGC NCc1ccccc1CP(c1ccccc1)c1ccccc1 2265383485 XHIZEZZBISTEAW-UHFFFAOYSA-N 305.361 3.778 50 30 DHGC N#CC(C#N)=CNc1cc(C(F)(F)F)ccc1N1CCCC1 68252 PXLJEOBVSZOVML-UHFFFAOYSA-N 306.291 3.649 50 30 DHGC O=C(OCc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H]2CBr 1535645169 RCMWGXISMDABBX-MJBXVCDLSA-N 324.218 3.571 50 30 DHGC COc1ccc(C2=NO[C@H]([C@H](C)Cl)C2)cc1Br 217001448 IYVSVHBKOVPEES-MADCSZMMSA-N 318.598 3.578 50 30 DHGC CCOC(=O)[C@@H](Br)c1ccc(Cl)cc1Cl 2528622 DNIFXMDVFMUXQA-VIFPVBQESA-N 311.990 3.993 50 30 DHGC CC(C)(C)CN/C(C#N)=C(C#N)\N=C\c1cccc(Cl)c1 20432599 OVKIYPHMAACBQG-HTBSFNNDSA-N 300.793 3.653 50 30 DHGC O=C(OCC1[C@@H]2CCC#CCC[C@@H]12)Oc1ccc([N+](=O)[O-])cc1 146698174 QXNXOXMDBLHIDB-HUUCEWRRSA-N 315.325 3.550 50 30 DHGC CC(=NNC(=O)c1sccc1-n1cccc1)c1cccs1 254707015 LBDPMBYTBZOACC-UHFFFAOYSA-N 315.423 3.754 50 30 DHGC CC1=CC(C)=N[C@H](C)[C@@H]1[Br+]c1c(C)cc(C)nc1C 100052425 BCBHDMFLYVTWFA-UKRRQHHQSA-N 322.270 3.637 50 30 DHGC in-vitro N#C/C(=C\c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 106478 JZGAOIAEWWJUCM-MDWZMJQESA-N 321.760 3.817 50 30 DHGC CC(=O)c1ccccc1P(c1ccccc1)c1ccccc1 137505980 WEIDFFAGYXOYKP-UHFFFAOYSA-N 304.329 3.647 50 30 DHGC CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@@]4(O)C#N)[C@H]2CC1 2265351326 DLGOTKYOTOLLKD-RFVXBFLTSA-N 313.441 3.954 50 30 DHGC Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(F)cc1 151445 ZKWWDKRHHYXIJF-UHFFFAOYSA-N 311.316 3.546 50 30 DHGC COc1ccc(/C=C(\C#N)C(=O)c2cc(C(C)(C)C)on2)cc1 4394560 MKNMVQNSFRKJLT-UKTHLTGXSA-N 310.353 3.771 50 30 DHGC I[C@@H]1CCCC[C@H]1OCc1ccccc1 145743527 QVNKXHYZMIFDCQ-CHWSQXEVSA-N 316.182 3.949 50 30 DHGC Cc1onc(-c2ccccc2)c1C(=O)NNc1ccccc1F 151491 JZCNVLXFUZTNAP-UHFFFAOYSA-N 311.316 3.546 50 30 DHGC Cc1ccc(NNC(=O)c2cccnc2Oc2ccccc2)cc1 152139 OAMIFGQOVCYISC-UHFFFAOYSA-N 319.364 3.939 50 30 DHGC COc1ccc(C2=NO[C@H]([C@@H](C)Cl)C2)cc1Br 217001456 IYVSVHBKOVPEES-KRTXAFLBSA-N 318.598 3.578 50 30 DHGC CO[Si](CCn1c2ccccc2c2ccccc21)(OC)OC 195751421 ILBVOOPZRLHLEP-UHFFFAOYSA-N 315.445 3.673 50 30 DHGC COC(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 916266704 SRLPXQKCKPQIOG-UHFFFAOYSA-N 306.406 3.677 50 30 DHGC CC(C)(C)OC(=O)Nc1ccccc1CCBr 139478612 XSCOAMWNMCCMNS-UHFFFAOYSA-N 300.196 3.971 50 30 DHGC CCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2=O 137102670 CQARFTDKXPFBIO-UHFFFAOYSA-N 318.369 3.905 50 30 DHGC N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@H]1c1cccs1 138899 ZXTZAQSXPOIKBF-CYBMUJFWSA-N 311.391 3.552 50 30 DHGC BrCc1nc2cc(Br)ccc2s1 34301763 JEMIBNMZWVIQHH-UHFFFAOYSA-N 307.010 3.954 50 30 DHGC COc1ccc(Br)c(C2=NO[C@H]([C@H](C)Cl)C2)c1 234950903 IZFWEXNHWBCNBS-MADCSZMMSA-N 318.598 3.578 50 30 DHGC O=C(NNc1nc(-c2ccccc2)cs1)c1cccs1 1036624 YPXGBKCLVDUUCX-UHFFFAOYSA-N 301.396 3.629 50 30 DHGC CCN(CC)c1ccc2c(CBr)cc(=O)oc2c1 953018559 JPBOBQNHSXLIBI-UHFFFAOYSA-N 310.191 3.534 50 30 DHGC COC(=O)NN=C(C)c1ccc(Sc2ccccc2)cc1 256080888 HMHNSYXVCASQHZ-UHFFFAOYSA-N 300.383 3.918 50 30 DHGC O=C1c2cc(Br)ccc2SC[C@H]1Br 307753084 UOSFBLJFYANCAB-SSDOTTSWSA-N 322.021 3.501 50 30 DHGC Cc1cc(Cl)ccc1OCC(=O)O[Si](C)(C)[C@@H](C)C#N 195756734 WMUAJQWGLYHEPK-NSHDSACASA-N 311.841 3.689 50 30 DHGC CCOC(=O)[C@H](Br)c1ccc(Cl)cc1Cl 134758275 DNIFXMDVFMUXQA-SECBINFHSA-N 311.990 3.993 50 30 DHGC CCN(CCI)Cc1ccc(Cl)cc1 2020772 YGGWIMXHQMJMIX-UHFFFAOYSA-N 323.605 3.597 50 30 DHGC COc1c(CBr)cccc1C(=O)c1ccccc1 38611807 WAXNWQKNFZDHOM-UHFFFAOYSA-N 305.171 3.821 50 30 DHGC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 306428493 MPHILBGFDQGODV-QWRGUYRKSA-N 304.228 3.559 50 30 DHGC C[C@@H](CC(=O)O[Si](C)(C)C)C(C)(C)C(=O)O[Si](C)(C)C 195806507 FCGMILWDOUYMRY-NSHDSACASA-N 318.562 3.795 50 30 DHGC N#C/C(=C\Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 94954 PTJURULDQXODRG-RVDMUPIBSA-N 318.785 3.591 50 30 DHGC CC(C)(C)c1csc(NNC(=O)c2ccc(Cl)cc2)n1 119718 WCPFZGBUCMKJHI-UHFFFAOYSA-N 309.822 3.851 50 30 DHGC O=C(C=Cc1cnc2ccccc2c1)NNc1ccc(F)cc1 2265279026 ZNTZYEGSMDHANA-UHFFFAOYSA-N 307.328 3.530 50 30 DHGC COc1ccc(Br)c(C2=NO[C@@H]([C@@H](C)Cl)C2)c1 234950656 IZFWEXNHWBCNBS-JMCQJSRRSA-N 318.598 3.578 50 30 DHGC N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccco1 125726 QUZCCXPCVZJTQI-MDZDMXLPSA-N 322.242 3.880 50 30 DHGC C/C(=N\NC(=O)N/N=C(\C)c1ccc(C)cc1)c1ccc(C)cc1 4365352 BPAVSGPGNIZYRW-YJKAXRSRSA-N 322.412 3.751 50 30 DHGC C[C@@H](Br)c1ccc(I)cc1 118789112 GDOJIBUYYIFJJW-ZCFIWIBFSA-N 310.960 3.747 50 30 DHGC CC1=CC(C)=N[C@H](C)[C@H]1[Br+]c1c(C)cc(C)nc1C 100052420 BCBHDMFLYVTWFA-HIFRSBDPSA-N 322.270 3.637 50 30 DHGC in-vitro CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O 195897515 ASPAKSDHNNXVIB-LLVKDONJSA-N 315.486 3.544 50 30 DHGC O=C(NNc1ccc(C(F)(F)F)cn1)c1ccccc1Cl 77916 JIRNTLWLMRPLAY-UHFFFAOYSA-N 315.682 3.511 50 30 DHGC CC(C)(C)OC(=O)NCc1ccc(CBr)cc1F 2241742384 ZCEZQEJAQKWIBM-UHFFFAOYSA-N 318.186 3.745 50 30 DHGC CCCCC#Cc1ccc(C(=O)N/N=C/c2cccs2)o1 4364161 RQCAIXMFNZORPI-SFQUDFHCSA-N 300.383 3.647 50 30 DHGC c1ccc(P(c2ccccc2)c2cccc3cccnc23)cc1 113393354 KEJUJPUDSJXTMZ-UHFFFAOYSA-N 313.340 3.993 50 30 DHGC CC1=CC(C)=N[C@@H](C)[C@H]1[Br+]c1c(C)cc(C)nc1C 100052412 BCBHDMFLYVTWFA-ZFWWWQNUSA-N 322.270 3.637 50 30 DHGC in-vitro O=C(OCC1[C@H]2CCC#CCC[C@H]12)Oc1ccc([N+](=O)[O-])cc1 146698541 QXNXOXMDBLHIDB-GJZGRUSLSA-N 315.325 3.550 50 30 DHGC CCc1cccc(C)c1NC(C#N)=C1C(=O)c2ccccc2C1=O 101825 DGWSGGNIJAEBSC-UHFFFAOYSA-N 316.360 3.826 50 30 DHGC O=C(NN=Cc1ccccc1Cl)c1ccccc1-n1cccc1 254699779 ZINHSYVQXVNURW-UHFFFAOYSA-N 323.783 3.895 50 30 DHGC CC(C)(C)OC(=O)N1[C@H](CCCBr)COC1(C)C 206522412 IZGSEIGGEWDALD-SNVBAGLBSA-N 322.243 3.534 50 30 DHGC COC(=O)[C@H](Cl)Cc1ccc(C(F)(F)F)cc1Cl 16159571 QQDFIIZZLAWIBY-SECBINFHSA-N 301.091 3.682 50 30 DHGC COC(=O)/C(C#N)=C/c1cccn1-c1ccc(C(F)(F)F)cc1 112433 TVKWBRQNNIBIST-PKNBQFBNSA-N 320.270 3.576 50 30 DHGC CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@@]4(O)C#N)[C@@H]2CC1 2265351323 DLGOTKYOTOLLKD-BZIXAJQCSA-N 313.441 3.954 50 30 DHGC O=C(NNc1c(Cl)cncc1Cl)c1sccc1Cl 146789 HOGMIAJBCWDKDG-UHFFFAOYSA-N 322.604 3.860 50 30 DHGC ClCCCN1CCN(c2cccc(Cl)c2Cl)CC1 71974159 AVFRXIMUXZPJJV-UHFFFAOYSA-N 307.652 3.744 50 30 DHGC CSC1=C(C#N)C(=O)N[C@H](c2cccc3ccccc23)S1 137131 WNBKSYTVBDFVAM-HNNXBMFYSA-N 312.419 3.800 50 30 DHGC CC1=C(C#N)[C@@H](c2c[nH]c3ccccc23)C2=C(CCCC2=O)N1 19924838 CSSIGFYTXLBWSR-SFHVURJKSA-N 303.365 3.659 50 30 DHGC COC(=O)c1cccc(O[Si](C)(C)C)c1N[Si](C)(C)C 195792078 UYMIAYAYSHDMOQ-UHFFFAOYSA-N 311.530 3.934 50 30 DHGC Cc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)s1 110071 YYQZDZGNFIFTHJ-OQLLNIDSSA-N 303.408 3.703 50 30 DHGC O=C(C=Cc1cnc2ccccc2c1)NNc1ccccc1F 2265270056 GOUVVSCRQDCQBO-UHFFFAOYSA-N 307.328 3.530 50 30 DHGC Fc1ccc(OCCCBr)c(Br)c1 36723917 PZBQVDGWMJINDP-UHFFFAOYSA-N 311.976 3.752 50 30 DHGC CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@]4(O)C#N)[C@@H]2CC1 2265351325 DLGOTKYOTOLLKD-PJBUMPDVSA-N 313.441 3.954 50 30 DHGC ClCCN(CCCl)Cc1ccccc1Br 95832251 MOBBRUQPBSTYAF-UHFFFAOYSA-N 311.050 3.729 50 30 DHGC CC1=C(C#N)[C@H](c2c[nH]c3ccccc23)C2=C(CCCC2=O)N1 19924840 CSSIGFYTXLBWSR-GOSISDBHSA-N 303.365 3.659 50 30 DHGC ClCc1coc(-c2ccc(I)cc2)n1 37933947 YBVVKNSKEJVTSG-UHFFFAOYSA-N 319.529 3.685 50 30 DHGC CC(C)(C)OC(=O)N1CCCC2(CC(Br)C2)C1 2265385274 ZUAWDIHNBAZFQP-UHFFFAOYSA-N 304.228 3.561 50 30 DHGC CN(C)NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 105976 MGSAQSYFEPLOJL-UHFFFAOYSA-N 315.156 3.585 50 30 DHGC C=C[Si](C)(C)O[Si](C)(O[Si](C)(C)C=C)c1ccccc1 195767012 VTXMEXQKYKOHEN-UHFFFAOYSA-N 322.629 3.859 50 30 DHGC CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H](CO)N1Cc1ccccc1 953122896 ZPTHFTZWPIAMCP-DLBZAZTESA-N 321.537 3.644 50 30 DHGC COC(=O)[C@@H](Cl)Cc1ccc(C(F)(F)F)cc1Cl 2243808 QQDFIIZZLAWIBY-VIFPVBQESA-N 301.091 3.682 50 30 DHGC N#C/C(=C\C(=C\N1CCOCC1)c1ccccc1)c1ccccc1 20458324 QGJAQUQIKCDSCS-TULPIRACSA-N 316.404 3.967 50 30 DHGC Cc1ccc(N/C=C(\C#N)C(=O)c2cc(C(C)(C)C)on2)cc1 2153613 MVCWPFDYMAMTMU-ACCUITESSA-N 309.369 3.983 50 30 DHGC CC1=CC(C)=N[C@@H](C)[C@@H]1[Br+]c1c(C)cc(C)nc1C 100052416 BCBHDMFLYVTWFA-DZGCQCFKSA-N 322.270 3.637 50 30 DHGC in-vitro BrCc1nc2cccc(Br)c2s1 96341727 CMBUZCOIAUZKRA-UHFFFAOYSA-N 307.010 3.954 50 30 DHGC CCOC(=O)/C(C#N)=C/Nc1cc(C(C)(C)C)sc1C(C)=O 13658046 CAGXFIBAYHKYOJ-PKNBQFBNSA-N 320.414 3.631 50 30 DHGC CS/C(Nc1ccc(F)cc1)=C(/C#N)C(=O)c1ccco1 13464605 UPCXWKVAPKPZEA-QINSGFPZSA-N 302.330 3.812 50 30 DHGC Cc1cc(Cl)ccc1NC(C#N)=C1C(=O)c2ccccc2C1=O 100588 FOZUIVIYAJMWHL-UHFFFAOYSA-N 322.751 3.917 50 30 DHGC CCCCOc1ccc(NC(=O)[C@H](Cl)N2CCCCC2)cc1 223668232 KUOPIXUOZAJDDJ-MRXNPFEDSA-N 324.852 3.855 50 30 DHGC CC(C)(C)CN/C(C#N)=C(C#N)\N=C\c1ccccc1Cl 20432601 NRELCGCPDCOAFM-HTBSFNNDSA-N 300.793 3.653 50 30 DHGC FC1(F)CCC2(CC[C@@H](CI)O2)CC1 688284265 PYMNQGDQCXEDIG-QMMMGPOBSA-N 316.129 3.549 50 30 DHGC CCOC(=O)NN(C(=O)OCC)c1c(C)c(C)c(C)c(C)c1C 4323136 GMNNJDLRNJUSNS-UHFFFAOYSA-N 322.405 3.853 50 30 DHGC CC1(C)CCC2(CC[C@@H](CI)O2)CC1 307271894 CSFKXUOUYWWNAL-JTQLQIEISA-N 308.203 3.939 50 30 DHGC CCCn1c(CCl)nc2c(O)c(Cl)cc(Cl)c2c1=O 39124356 JUELDTLRZAVQHT-UHFFFAOYSA-N 321.591 3.558 50 30 DHGC C[C@H](CC(=O)O[Si](C)(C)C)C(C)(C)C(=O)O[Si](C)(C)C 195806509 FCGMILWDOUYMRY-LLVKDONJSA-N 318.562 3.795 50 30 DHGC BrCc1cc(Br)c2ccccc2n1 72266442 IQFQZZRNPCQDAS-UHFFFAOYSA-N 300.981 3.892 50 30 DHGC CC(C)[C@@H](Br)C(=O)Nc1cccc2ncccc12 19486113 UELVPHJPDIYPHI-CYBMUJFWSA-N 307.191 3.593 50 30 DHGC in-vitro Cc1nn(-c2ccccc2)c(NC(=O)C(Cl)Cl)c1Cl 165300 AOLOGRZIFFGRLX-UHFFFAOYSA-N 318.591 3.576 50 30 DHGC COOC(=O)c1cccc(-c2ccccc2)c1Br 604934454 ZTTQWYJBZPUEHG-UHFFFAOYSA-N 307.143 3.834 50 30 DHGC C=C[Si](OOC(C)(C)C)(OOC(C)(C)C)OOC(C)(C)C 195766114 WCAGGTLUGWSHOV-UHFFFAOYSA-N 322.474 3.891 50 30 DHGC COc1ccc(C2=NO[C@@H]([C@H](C)Cl)C2)cc1Br 217001466 IYVSVHBKOVPEES-JVXZTZIISA-N 318.598 3.578 50 30 DHGC N#CC(=CC=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 2265239627 IOLBPLLWDJBTJM-UHFFFAOYSA-N 304.305 3.941 50 30 DHGC O=C(N/N=C/C=C/c1ccccc1)c1ccccc1-n1cccc1 3161811 PVMRVCAHTDTZIP-DYTMQZIQSA-N 315.376 3.906 50 30 DHGC O=C(NNc1ccccc1C(F)(F)F)c1ccc(F)cc1F 147135 ZYYAJTATKIFVAH-UHFFFAOYSA-N 316.229 3.741 50 30 DHGC CCCc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 100163 LVLCYMXYGQKLEF-UHFFFAOYSA-N 316.360 3.908 50 30 DHGC CN(C)C(C=CNc1ccc(Cl)cc1Cl)=C(C#N)C#N 2265278893 RQOZGJCJGOZQOJ-UHFFFAOYSA-N 307.184 3.782 50 30 DHGC COc1cc(N(C)C)cc(C=O)c1O[Si](C)(C)C(C)(C)C 2242137803 SHKIPGLBCFDILQ-UHFFFAOYSA-N 309.482 3.958 50 30 DHGC