smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1ccc(I)cc1C(F)(F)F 238278132 GFCLPRVDVGKEOL-UHFFFAOYSA-N 300.061 3.872 0 30 DHAC C[C@H](c1ccccc1)N(C(=N)NC#N)c1cccc2ncccc12 1531861519 AUZZLTMUJVFEQW-CQSZACIVSA-N 315.380 3.808 0 30 DHAC Nc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(c23)C1=O 134107 XENHQWZCFPVPAF-UHFFFAOYSA-N 322.751 3.876 0 30 DHAC Cc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 153918 HGTGUBQYOBHEBU-UHFFFAOYSA-N 311.263 3.933 0 30 DHAC CS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)s1 39234548 JGZIUWPCUJAVLH-UHFFFAOYSA-N 315.419 3.881 0 30 DHAC O=C1CS[C@@H](c2cccnc2)N1c1ccc(C(F)(F)F)cc1 101634 KMIMHJOXYRSZLO-AWEZNQCLSA-N 324.327 3.879 0 30 DHAC FC(F)(F)Oc1ccc(-c2nnc(-c3cccnc3)o2)cc1 122545 PLAXNDABGPUEFV-UHFFFAOYSA-N 307.231 3.697 0 30 DHAC Oc1cc(C(F)(F)F)nc(-c2ccccc2OC(F)(F)F)n1 13469553 QQZYZWBBTWMMOI-UHFFFAOYSA-N 324.180 3.767 0 30 DHAC O=c1ccc2ccccc2n1Nc1ccc(Br)cc1 174079 OPAKRGSJHULFTR-UHFFFAOYSA-N 315.170 3.639 0 30 DHAC CCCCCCN1C(CC)=NCc2ccccc2S1(=O)=O 31560453 OJNLZRKPZCYHST-UHFFFAOYSA-N 308.447 3.580 0 30 DHAC c1ccc(Nc2nc(N[C@H]3C[C@@H]4CC[C@H]3C4)c3nc[nH]c3n2)cc1 27645664 SLLSODGWHDUMRG-DYEKYZERSA-N 320.400 3.697 0 30 DHAC CSc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(C)c1 78869 WKIQDOSDBFGZED-UHFFFAOYSA-N 314.385 3.864 0 30 DHAC Cc1cc(C)c2cc(C(=O)N3CCc4ccccc4C3)[nH]c2c1 154766 MTFLSMTVMBYBGH-UHFFFAOYSA-N 304.393 3.983 0 30 DHAC Cc1ccc([C@@H](O)COC2=NCNc3cc(Cl)ccc32)cc1 155220 NAFDYDJWCWYNBJ-INIZCTEOSA-N 316.788 3.528 0 30 DHAC COc1cccc(-c2cn3cc(Br)sc3n2)c1 39325789 RIXIEZQWTZSSEZ-UHFFFAOYSA-N 309.188 3.834 0 30 DHAC Cc1cc(N)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 95642764 PDMBAIUJOQKOCF-UHFFFAOYSA-N 323.393 3.649 0 30 DHAC CN(C)c1cc(C(F)(F)F)nc2c(Cl)c(C(C)(C)C)nn12 169347 NJYGHWKIHNMDML-UHFFFAOYSA-N 320.746 3.765 0 30 DHAC CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)no1 21791505 XLVZABMWZMAHHG-OAHLLOKOSA-N 302.349 3.914 0 30 DHAC C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@]34CO)[C@@H]1CCC2=O 253497971 VTIPICLYPXESHJ-CNTMNXNISA-N 318.457 3.530 0 30 DHAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)c1ccc(F)cc12 575440689 NIWRKVCIELMQRN-HNNXBMFYSA-N 321.392 3.532 0 30 DHAC O=C(c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 110185 ABKRWLZMHHKTQX-UHFFFAOYSA-N 308.381 3.813 0 30 DHAC Cc1cc(NC(=S)N2CCCCC2)ccc1Br 72527 AXLMMGNNMXJJNM-UHFFFAOYSA-N 313.264 3.940 0 30 DHAC CN(C(=O)Nc1cnccc1C(F)(F)F)C1CCCCC1 77554 ATVRZZZIXVDCMJ-UHFFFAOYSA-N 301.312 3.897 0 30 DHAC CC(C)(C)OC(=O)NCCc1cc(Cl)c(O)c(Cl)c1 382695920 VNYYCUNBZYPVFP-UHFFFAOYSA-N 306.189 3.766 0 30 DHAC COc1ccc(-c2c(C)nn(-c3ccccc3)c2C)c(C(=O)O)c1 166837 OWZHVGHNPCAULX-UHFFFAOYSA-N 322.364 3.863 0 30 DHAC CNC(=O)N(Cc1cccnc1)Cc1cccc(Cl)c1Cl 1042852 UJCFXNUXBBOHDQ-UHFFFAOYSA-N 324.211 3.730 0 30 DHAC O=[P@](O)(Oc1ccccc1)Oc1cccc2cccnc12 2572413 MZQMJIBLIRONJE-UHFFFAOYSA-N 301.238 3.793 0 30 DHAC CC(=NO)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 254394483 WWSMXHGJOHIODG-UHFFFAOYSA-N 305.643 3.607 0 30 DHAC COC(=O)[C@H](c1ccccc1Cl)N(C)CCc1cccs1 77286036 ABZKNRNOULMZHY-HNNXBMFYSA-N 323.845 3.790 0 30 DHAC in-vitro C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1 155831 BQRFHMVBQUONMC-LLVKDONJSA-N 313.332 3.595 0 30 DHAC N[C@@H](CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 2000132 ZBBGGJJSYSHQJM-HNNXBMFYSA-N 303.789 3.744 0 30 DHAC OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@H]1CCCN1 21983428 SBPHQJFBMFPILN-MRXNPFEDSA-N 322.235 3.981 0 30 DHAC Sc1nnc(-c2cccc3ccccc23)n1-c1cccnc1 15923236 ZPPOEGKLXJWREK-UHFFFAOYSA-N 304.378 3.771 0 30 DHAC COc1ccc2c(c1)C(N1CCN(C)CC1)=Cc1ccccc1O2 31771497 GXGQMMZHTFRNBT-UHFFFAOYSA-N 322.408 3.546 0 30 DHAC in-man CNC(=O)N(C1=NCC(C)(C)S1)c1ccc(F)c(Cl)c1 162100 IECQTUZJASSLGZ-UHFFFAOYSA-N 315.801 3.506 0 30 DHAC CON=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 254874052 BXPLQAZMKIFIAJ-UHFFFAOYSA-N 315.760 3.623 0 30 DHAC Cc1nnc2n1N=C(c1ccc(CC(C)C)cc1)[C@@H](C)S2 4336104 NQJJTFZGHJXEJH-LLVKDONJSA-N 300.431 3.532 0 30 DHAC CC(C)(C)c1cc(Cl)c(Cl)cc1-n1c(=O)[nH][nH]c1=S 95932001 JKYFTFMZNGCXCY-UHFFFAOYSA-N 318.229 3.827 0 30 DHAC O=C(Nc1nc2ccccc2c(=O)s1)c1ccc(Cl)cc1 119618 ZIBHMKPBIFNDIC-UHFFFAOYSA-N 316.769 3.562 0 30 DHAC COc1cc(C)cc(C)c1NC(=O)CCN1CCCC[C@H]1C 1846083 UJCARUGFZOJPMI-OAHLLOKOSA-N 304.434 3.515 0 30 DHAC in-man FC(F)(F)c1cccc(NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)c1 100234594 HTIXYPRJYANIRL-KWBADKCTSA-N 312.360 3.956 0 30 DHAC CCOC(=O)c1csc(-c2ccc(-c3csnn3)cc2)n1 106793 ZCMFSCOCFQXGMP-UHFFFAOYSA-N 317.395 3.505 0 30 DHAC Cc1cc(C)c(CSCCNC(=O)NC(C)(C)C)c(C)c1 4390605 OVVFXIQSVHAHJU-UHFFFAOYSA-N 308.491 3.943 0 30 DHAC FC(F)(F)c1cc(-c2ccccn2)nc2cc(C3CC3)nn12 170989 ARZACEPIUUEVJO-UHFFFAOYSA-N 304.275 3.688 0 30 DHAC Cc1cc(Br)cc(Cl)c1OC(=O)c1ccno1 122798 OMDGBODBZOYKII-UHFFFAOYSA-N 316.538 3.618 0 30 DHAC O=S(=O)(Cc1ccco1)Cc1nc(-c2ccccc2)cs1 125385 VCXCVHQAXFKJIK-UHFFFAOYSA-N 319.407 3.518 0 30 DHAC COc1cc([C@H]2Nc3cc(Cl)ccc3O2)cc(OC)c1OC 144669 LGPQHYDWBIMTHO-INIZCTEOSA-N 321.760 3.869 0 30 DHAC C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21CC 5924219 WWYNJERNGUHSAO-VXAANUECSA-N 312.453 3.883 0 30 DHAC COc1cc(OC)c(C2CCCCC2)cc1C(=O)CCC(=O)O 874 YOCBPCQZXRQJFU-UHFFFAOYSA-N 320.385 3.799 0 30 DHAC COc1cc(C(F)(F)F)c(C(=O)Nc2cccc(C)c2C)cn1 77751 LRRYZBMVLUFJFW-UHFFFAOYSA-N 324.302 3.978 0 30 DHAC CC(C)c1ccc(NN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 69529 YLZARTZXPIEESK-KRWDZBQOSA-N 308.381 3.680 0 30 DHAC O=CC(=NNc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 254757027 TXVTVKXKFAFRJP-UHFFFAOYSA-N 321.163 3.843 0 30 DHAC CCOC(=O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 66232 BFCPBUKDZKEQET-UHFFFAOYSA-N 324.833 3.729 0 30 DHAC Fc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1 98793 DRTKRMWMPUPDOZ-UHFFFAOYSA-N 309.131 3.775 0 30 DHAC c1cc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)on1 114000 WYGWZJULLIJPEW-UHFFFAOYSA-N 300.339 3.626 0 30 DHAC CC[C@H](O)c1ccc(OCCN[C@H](C)Cc2ccccc2)cc1 1842864 DOBLSWXRNYSVDC-UZLBHIALSA-N 313.441 3.730 0 30 DHAC in-man CC(=O)O[C@@H]1CCCN[C@@H]1C(c1ccccc1)c1ccccc1 3622159 BSPGKOYLLQRMCH-QUCCMNQESA-N 309.409 3.502 0 30 DHAC FC(F)(F)Oc1ccccc1-c1nnc(-c2cccnc2)o1 4394536 PPAZXBKUMPJHHA-UHFFFAOYSA-N 307.231 3.697 0 30 DHAC CCOC(=O)c1cc2c(oc1=O)-c1ccc3ccccc3c1OC2 44138231 CMGHSTGFCCVIIL-UHFFFAOYSA-N 322.316 3.529 0 30 DHAC CCN(CC)CCN1C(=O)c2ccccc2[C@H]1c1ccccc1 822 ZNYIBRGXWAWBAL-LJQANCHMSA-N 308.425 3.574 0 30 DHAC in-man c1ccc(-c2cc3ncnc(N4CCSCC4)c3s2)cc1 118295 CKZGNMOKTDBAOH-UHFFFAOYSA-N 313.451 3.912 0 30 DHAC O=C1CS[C@H](c2cccnc2)N1CCc1ccc(Cl)cc1 100353 JBWLIFNSJWUITC-MRXNPFEDSA-N 318.829 3.552 0 30 DHAC CN(C)C=Nc1nnc(SCc2ccc(Cl)cc2)s1 98025212 YMAXDFACMMZKLC-UHFFFAOYSA-N 312.851 3.705 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)N(Cl)C[C@@]43C)[C@H]1CC[C@H]2O 2265351295 BUSKSASJRZQMEF-GZHKEPGYSA-N 323.864 3.512 0 30 DHAC CCO[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 5335507 XGDJUIWMIKCXJN-GOSISDBHSA-N 300.354 3.664 0 30 DHAC CCC(=O)c1ccc(OCCN[C@H](C)Cc2ccccc2)cc1 33506228 FGJHEOOYCPIULG-MRXNPFEDSA-N 311.425 3.879 0 30 DHAC CC(C)(C)C(=O)Nc1ncccc1C(=O)c1cc(F)cc(F)c1 238853740 KPTAJPQGPOPGTA-UHFFFAOYSA-N 318.323 3.575 0 30 DHAC Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2CCc1ccc(C)nc1 575280935 GOCKVWBQSRYQFB-TZIWHRDSSA-N 321.468 3.549 0 30 DHAC CN(C)C=C(C=Cc1ccccc1)S(=O)(=O)c1ccccc1 33386956 YWXQCGCSSZBVKU-UHFFFAOYSA-N 313.422 3.577 0 30 DHAC O=C(O)c1csc2nc(-c3ccccc3Br)cn12 40440925 CLKFRCJQNBXYAN-UHFFFAOYSA-N 323.171 3.524 0 30 DHAC O[C@@H](CNCc1ccc(Cl)cc1)CSc1ccccc1 74166 DUIDJNSSJNRUHB-HNNXBMFYSA-N 307.846 3.583 0 30 DHAC CCCCOCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2382703 GWFGUAFFJVHZKY-CYBMUJFWSA-N 314.809 3.776 0 30 DHAC Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]2N 91302962 UNGYUTDHXAELTG-INIZCTEOSA-N 316.445 3.667 0 30 DHAC in-vitro CSc1cccc(-n2c(SC)nc3ccccc3c2=O)c1 98224 JLIJMOJJOJJARB-UHFFFAOYSA-N 314.435 3.830 0 30 DHAC Cc1cc(C)c(-n2c[n+]3c(n2)CC[C@@H]3Cc2ccccc2)c(C)c1 2265352392 LLPYXFAFVSCQRV-LJQANCHMSA-N 318.444 3.815 0 30 DHAC C[C@@H](Cc1ccc(C(C)(C)C(=O)O)cc1)CN1CCCCC1 675050416 HUBFIOLHRCECQI-HNNXBMFYSA-N 303.446 3.713 0 30 DHAC CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(F)c2)CC1 96304825 PNCDXUYGMZPOLQ-UHFFFAOYSA-N 307.365 3.656 0 30 DHAC O=C(CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 166691 BOBJJSHYYFBWMN-UHFFFAOYSA-N 308.164 3.606 0 30 DHAC OC(c1ccccc1Br)(C(F)(F)F)C(F)(F)F 575602302 XXIHOAKCDPPBFG-UHFFFAOYSA-N 323.030 3.761 0 30 DHAC O=C(CSC(=S)N1CCCCC1)c1c(F)cccc1F 76394 XCBMAQCBUYAKJP-UHFFFAOYSA-N 315.410 3.652 0 30 DHAC CN(C(=O)OC(C)(C)C)c1cnc2cc([Si](C)(C)C)oc2c1 205431040 JYJQSEFAXAGMQF-UHFFFAOYSA-N 320.465 3.744 0 30 DHAC CC(C)(C)c1ccc(NC(=O)C(=S)NCc2ccco2)cc1 172932 MJOWAUJZBILUMT-UHFFFAOYSA-N 316.426 3.633 0 30 DHAC CCCCCOc1cc(I)ccc1OC 21981657 ZQBWSCPXIKDJND-UHFFFAOYSA-N 320.170 3.869 0 30 DHAC Cc1ccc(NC(=O)N(CCC(=O)O)Cc2ccccc2)cc1 152590 UZOSJGSHVCEYIN-UHFFFAOYSA-N 312.369 3.504 0 30 DHAC OCc1ccc(OC(F)(F)c2ccc(F)c(F)c2F)cc1 39957486 QUEVVNCVLGUCDS-UHFFFAOYSA-N 304.214 3.725 0 30 DHAC CCCCOCCOC(=O)[C@H](c1ccccc1)N1CCCCC1 56898783 MNBLDUWBHRTWEP-SFHVURJKSA-N 319.445 3.574 0 30 DHAC in-man COc1ccc(/C=C\Br)c(Br)c1O 2265351908 MYPNHMYTPPBVPJ-PLNGDYQASA-N 307.969 3.529 0 30 DHAC Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc2c(c1)OCO2 148457 DOVNWBZHLVGIRH-UHFFFAOYSA-N 315.369 3.544 0 30 DHAC COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NCC2 171669 QEQAPBVOPDXXRB-UHFFFAOYSA-N 301.773 3.751 0 30 DHAC CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(N)cc12 33876010 VDWMFSBLEFTMJG-AWEZNQCLSA-N 300.450 3.739 0 30 DHAC COC(=O)c1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 39325710 KCAMPDQYBSRUSC-UHFFFAOYSA-N 320.270 3.807 0 30 DHAC Cc1cc(-c2onc(C)c2C(=O)Nc2ccc(Cl)cc2)no1 122219 HYTZSPOGWSIOOP-UHFFFAOYSA-N 317.732 3.852 0 30 DHAC CC(C)(C)c1ccc(CCB(O)OC(C)(C)C(C)(C)O)cc1 238791426 CNIUJQUJDRSMSY-UHFFFAOYSA-N 306.255 3.573 0 30 DHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H]1CCCCC[C@@H]1O 2265352052 ONCFXGWMYOBHES-JSRQGNBESA-N 311.466 3.867 0 30 DHAC O=c1nc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)[nH]1 17783650 IOOPJAOQXWQJLY-UHFFFAOYSA-N 318.163 3.806 0 30 DHAC COc1ccc([C@@H]2CN=N[C@]23CSc2ccccc2C3=O)cc1 4343140 ISWBTKVAZFJCLA-MAUKXSAKSA-N 324.405 3.972 0 30 DHAC O=C(NC(=O)c1ccc(F)cc1F)Nc1ccccc1Cl 171823 XCSNJGNOURKCPP-UHFFFAOYSA-N 310.687 3.580 0 30 DHAC O=S(=O)(CCSc1ccc(Cl)cc1)c1ccccc1 165266 IQDHLMWLIBFMCX-UHFFFAOYSA-N 312.843 3.906 0 30 DHAC Cc1cccc(C)c1N(CCCN(C)C)C(=O)Cc1ccccc1 2017419 UPBRPBXVUIRXRY-UHFFFAOYSA-N 324.468 3.831 0 30 DHAC C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccccc1 113139063 XKSYUMRCBPYFNT-HUUCEWRRSA-N 304.434 3.516 0 30 DHAC COc1ccccc1NC(=S)Nc1ccc(OC)c(OC)c1 66973 ZXRMCLOQIIWVTL-UHFFFAOYSA-N 318.398 3.521 0 30 DHAC CC(C)(C)OC(=O)N[C@H](CN)c1cccc(Cl)c1Cl 113415226 YUKKHANGUKIABG-SNVBAGLBSA-N 305.205 3.518 0 30 DHAC CC(C)(C)OC(=O)N(Cc1ccncc1)C(=O)OC(C)(C)C 221283351 VDFTWWFHVGODND-UHFFFAOYSA-N 308.378 3.754 0 30 DHAC O=C1CS[C@@H](c2cccnc2)N1CCc1ccc(Cl)cc1 100346 JBWLIFNSJWUITC-INIZCTEOSA-N 318.829 3.552 0 30 DHAC Cc1ccc(-c2nnnn2-c2ccccc2C(F)(F)F)cc1 77810 PKCZKCDEIBHSEE-UHFFFAOYSA-N 304.275 3.657 0 30 DHAC O=C(Nc1cccc(-c2cnco2)c1)c1cccc2nsnc12 12341011 RWICMSKTLWGPQH-UHFFFAOYSA-N 322.349 3.599 0 30 DHAC Nc1ccccc1Oc1cccc(I)c1 36904167 WSWQKEAWZATNEB-UHFFFAOYSA-N 311.122 3.666 0 30 DHAC Clc1ccc2c(Br)nc(Br)n2c1 390822143 KUMUIJRUVBDCPA-UHFFFAOYSA-N 310.376 3.513 0 30 DHAC CC(C)(C)OC(=O)Nc1cc(C(=O)O)cc(C(F)(F)F)c1 40764709 PJFDKZNFWKMZCN-UHFFFAOYSA-N 305.252 3.751 0 30 DHAC CC1=CC[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2C1 100394903 XVMHMVDTROABSK-STQMWFEESA-N 310.180 3.839 0 30 DHAC Cc1cccc(NC(=S)N2CCO[C@H]2c2ccsc2)c1 172296 BPNRZYJZBJBELZ-AWEZNQCLSA-N 304.440 3.784 0 30 DHAC CC(C)c1ccc(NN2C(=O)C[C@H](c3ccccc3)C2=O)cc1 100207766 YLZARTZXPIEESK-QGZVFWFLSA-N 308.381 3.680 0 30 DHAC Fc1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)cc1 252428111 QGSKFVUMFGVPNT-NPODOCJWSA-N 302.418 3.713 0 30 DHAC Cc1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1 87315 ANBSKAVSYOWFDK-UHFFFAOYSA-N 305.425 3.799 0 30 DHAC COc1cc2c(cc1OC)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 12493591 AVCFXYYRWRZONV-BKRJIHRRSA-N 316.441 3.921 0 30 DHAC endogenous,in-man Clc1cc(Cl)cc(Nc2ncnc(-n3cccc3)n2)c1 89642 VLFHXTUERUHJPB-UHFFFAOYSA-N 306.156 3.713 0 30 DHAC Cc1n[nH]c2oc(=O)c(Cc3c(F)cccc3Cl)c(C)c12 89994 UJLOVLZKMPDNSP-UHFFFAOYSA-N 306.724 3.516 0 30 DHAC CCOC(=O)c1sc(N)nc1-c1cc(Cl)cc(Cl)c1 26891770 PDNQPIMWWJXBAA-UHFFFAOYSA-N 317.197 3.876 0 30 DHAC CN(C)CCCN1c2ccccc2Sc2cc(O)ccc21 1847587 FCWHSDRYYOAXGG-UHFFFAOYSA-N 300.427 3.947 0 30 DHAC in-vitro CC(C)N(Cc1ccccc1)C(=O)c1ccc2nsnc2c1 155767 ZGLHPODXMONVOJ-UHFFFAOYSA-N 311.410 3.742 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@@H](CCC[C@H]2CCCNC2)C1 1535990502 VBENSLXNARCMAJ-JKSUJKDBSA-N 310.482 3.803 0 30 DHAC Cc1cc(C)cc(N2C(=O)CCN(Cc3ccccc3)C2=O)c1 152600 BSVGNYMXCQGYAI-UHFFFAOYSA-N 308.381 3.662 0 30 DHAC COC(=O)C1=C(Nc2cc(Cl)cc(Cl)c2)CSC1 13658424 NONFPBVMZAQGDJ-UHFFFAOYSA-N 304.198 3.579 0 30 DHAC O=c1[nH]c2ccc(Br)cc2cc1-c1ccccc1 32099753 UWAZVSRZYPQWHU-UHFFFAOYSA-N 300.155 3.958 0 30 DHAC O=C(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl 153366 MNQWPAYJIRUGMP-UHFFFAOYSA-N 320.742 3.783 0 30 DHAC CCOC(=O)c1ccc(OC(=O)/C=C/c2cccs2)cc1 73954 RJGVDTNMAUYXIH-MDZDMXLPSA-N 302.351 3.544 0 30 DHAC O=C(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2 168889 SJUHLNCWQCGCNF-UHFFFAOYSA-N 307.271 3.893 0 30 DHAC CC(C)(C)OC(=O)N1CC(c2cccc(Br)c2)C1 238175815 MNQDJKCJNLGVGM-UHFFFAOYSA-N 312.207 3.783 0 30 DHAC CCCOc1ccc([C@@H](C)NC(=O)CCN2CCCCC2)cc1 33884210 GPKAWICQXOSCLM-MRXNPFEDSA-N 318.461 3.529 0 30 DHAC CCCN(C(=O)OC(C)(C)C)c1cncc(Br)c1 604934431 QNWBJJGXJGBACP-UHFFFAOYSA-N 315.211 3.996 0 30 DHAC CCOC(=O)c1c(CCC2CCCC2)nc2ccc(C)cn12 21986655 MNFVXJSSYIVQCT-UHFFFAOYSA-N 300.402 3.942 0 30 DHAC COc1ccc(N=NC(=S)NNc2ccc(OC)cc2)cc1 256124175 AADKNNLBLFUNGR-UHFFFAOYSA-N 316.386 3.689 0 30 DHAC Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1S2 56897544 IOEPXYJOHIZYGQ-UHFFFAOYSA-N 323.465 3.785 0 30 DHAC in-man Cc1cccc(C)c1N(C)C(=O)c1cnccc1C(F)(F)F 4382946 OQPHZBPIULULBC-UHFFFAOYSA-N 308.303 3.994 0 30 DHAC CCOC(=O)c1cc2cc(Cl)cc(C)c2nc1C(=O)OCC 32099560 PBXVLLMXUUIXLR-UHFFFAOYSA-N 321.760 3.550 0 30 DHAC CCn1nc(C)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 121436 NWQHLHAXKKZHBQ-UHFFFAOYSA-N 322.290 3.947 0 30 DHAC COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1 4216004 OJSFTALXCYKKFQ-YLJYHZDGSA-N 311.425 3.810 0 30 DHAC in-man Fc1cc2c(c(CSc3nc4ccccc4[nH]3)c1)OCOC2 140572 ZODSUXFANYASCP-UHFFFAOYSA-N 316.357 3.861 0 30 DHAC O=C(CCOCCCc1ccc(Cl)cc1)N1CCCCC1 2048485878 RLKOHPZQRKNERT-UHFFFAOYSA-N 309.837 3.692 0 30 DHAC CSc1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 1045825 KMIGDEFTTLCRAN-UHFFFAOYSA-N 320.226 3.819 0 30 DHAC Brc1ccccc1/C=C\I 140870386 FZJWAILOHYTOQI-WAYWQWQTSA-N 308.944 3.855 0 30 DHAC Cc1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 171323 JNJJRRLGTFLNEI-UHFFFAOYSA-N 303.287 3.822 0 30 DHAC CC(=O)c1cc(C(=O)CC(C)C)c(O)c([C@H](O)C=C(C)C)c1 14656345 BQPCSMCCVBBMJR-MRXNPFEDSA-N 304.386 3.823 0 30 DHAC biogenic,in-vitro CN(C)CCCC1(O)c2ccccc2C(C)(C)c2ccccc21 33608530 MGWVDTJIYUKWKX-UHFFFAOYSA-N 309.453 3.904 0 30 DHAC CCOC(=O)c1sc(COc2cccc(Cl)c2)nc1C 120465 HRZRSWWCFQQZLM-UHFFFAOYSA-N 311.790 3.861 0 30 DHAC CCOc1ccccc1NC(=O)NCCSCc1ccco1 4364739 OBPMHYVWBRRARL-UHFFFAOYSA-N 320.414 3.733 0 30 DHAC O=C(Nc1ccc(Cl)cc1)N1CCO[C@H]1c1cccs1 172288 FYASOHMZOMYOEU-ZDUSSCGKSA-N 308.790 3.964 0 30 DHAC Cc1ccc(C)c(OC(=O)/C=C/C(=O)Oc2cc(C)ccc2C)c1 5927771 MPROOTGBIDWZES-MDZDMXLPSA-N 324.376 3.987 0 30 DHAC O=C1OCc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc21 171166 MZWAXYBLPWWNHP-UHFFFAOYSA-N 318.785 3.819 0 30 DHAC COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1cccnc1 102395 WKXXYZUZGRWXNT-HNNXBMFYSA-N 320.801 3.522 0 30 DHAC COC(=O)Cc1c(Sc2ccccc2)ccc([N+](=O)[O-])c1F 138458962 SGKDRPNSFGYWSU-UHFFFAOYSA-N 321.329 3.601 0 30 DHAC C[C@H](C(=O)O)[C@](C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 146083400 YVWIRDHPNGRLMV-ZMZPIMSZSA-N 316.328 3.556 0 30 DHAC in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)NCCSCc1ccccc1 12793703 OWUXUXDKUOFZOQ-ZBFHGGJFSA-N 306.475 3.798 0 30 DHAC CCSCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)n1 13469443 DXLLCFGZOSNQHT-UHFFFAOYSA-N 314.332 3.709 0 30 DHAC Cc1c2c(=O)[nH]c3ccc(Cl)cc3c2nn1[C@H]1CCCCO1 95616866 WKWKRWPZGOOCEO-CYBMUJFWSA-N 317.776 3.539 0 30 DHAC CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 306391003 ZRUGBEIDHHLPCQ-INIZCTEOSA-N 304.434 3.518 0 30 DHAC CCOc1cccc(NC(=O)c2nc(C)oc2C(F)(F)F)c1 77619 CBROAFABHJTIMA-UHFFFAOYSA-N 314.263 3.653 0 30 DHAC COc1ccc(Cl)cc1NC(=O)Nc1nnc(C2CC2)s1 4333967 UQQXXYQECKMUEF-UHFFFAOYSA-N 324.793 3.722 0 30 DHAC CCOC(=O)C1=Cc2ccc(Cl)cc2O[C@H]1C(F)(F)F 953018973 WMANYBYKERALQR-LLVKDONJSA-N 306.667 3.610 0 30 DHAC CNC(=O)c1ccccc1Sc1cccc2cccc(CO)c12 133933 YBUBOKZNOIXJLD-UHFFFAOYSA-N 323.417 3.843 0 30 DHAC COc1ccc2c([C@H](C)C(=O)O)cccc2c1Br 38636045 HCCFERHCGFJYGK-QMMMGPOBSA-N 309.159 3.799 0 30 DHAC CCCCNc1ccc(C(=O)OCCCN2CCCCC2)cc1 2020844 AMUOQJJITKJRNO-UHFFFAOYSA-N 318.461 3.931 0 30 DHAC CCCCOc1ccc(C(=S)NCCCN(CC)CC)cc1 3632556 QOIIYAIOCGMFDK-UHFFFAOYSA-N 322.518 3.863 0 30 DHAC CC(C)(C)OC(=O)N1CCCc2ncc(Br)cc21 95774326 XBFUZZLWSHHCIR-UHFFFAOYSA-N 313.195 3.532 0 30 DHAC COC(=O)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 116777738 WIAPYPPGIDQQPV-AWEZNQCLSA-N 305.374 3.545 0 30 DHAC CC(=O)O[C@@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1 3622155 BSPGKOYLLQRMCH-UYAOXDASSA-N 309.409 3.502 0 30 DHAC OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 5369324 IUCHRJJXIZKLTA-UHFFFAOYSA-N 304.389 3.987 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@@H]2CNc3ccccc32)CC1 20281067 TYJQMBWKHHMMRZ-HNNXBMFYSA-N 302.418 3.843 0 30 DHAC O=C(OCCCN1CCCCC1)C1(c2ccccc2)CCCC1 33864589 ARRGVTWCAZMAOA-UHFFFAOYSA-N 315.457 3.918 0 30 DHAC CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 306960856 ZRUGBEIDHHLPCQ-MRXNPFEDSA-N 304.434 3.518 0 30 DHAC CC1=CC[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 100394897 XVMHMVDTROABSK-QWHCGFSZSA-N 310.180 3.839 0 30 DHAC CSc1ncc(Br)cc1C(=O)OC(C)(C)C 725328105 ZHCQNQDWYZGWOI-UHFFFAOYSA-N 304.209 3.521 0 30 DHAC CS[C@@H]1C(=O)Nc2c(F)cc(OCc3ccccc3)cc21 1565503698 BJQCMNCETANTFT-HNNXBMFYSA-N 303.358 3.761 0 30 DHAC COC(=O)c1ccc2cc(-c3cccc(C(=O)O)c3)ccc2c1 83319029 JPUBMSAOATWCOC-UHFFFAOYSA-N 306.317 3.992 0 30 DHAC CC1(C)c2ccccc2-n2c1cc(O)c(Cc1ccccc1)c2=O 87721 XZMYPYMXQWLBLS-UHFFFAOYSA-N 317.388 3.773 0 30 DHAC CCOC1=NCC(=O)N(c2ccccc2)c2ccc(Cl)cc21 5650722 BONVKFPMYTYOLD-UHFFFAOYSA-N 314.772 3.801 0 30 DHAC c1ccc2c(c1)CC1Cc3ccccc3CC(C2)C12OCCCO2 196566585 UDSUFCDVMDURTO-UHFFFAOYSA-N 320.432 3.950 0 30 DHAC CCOC(=O)c1cc(-c2csc(Nc3ccccc3)n2)on1 123691 AIIHNYVDESWDFB-UHFFFAOYSA-N 315.354 3.718 0 30 DHAC Clc1ncnc2cc(Br)c(Br)cc12 4206751 FHOUDEUTXFJXQK-UHFFFAOYSA-N 322.387 3.808 0 30 DHAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1cccc(C(F)(F)F)c1 83328561 BCCWSJZUORSYGK-SKDRFNHKSA-N 300.276 3.779 0 30 DHAC Cc1c(C)c(C(=O)Cn2ccnc2)c(C)c(C)c1Br 5424897 NOMMVAHXJWVYNX-UHFFFAOYSA-N 321.218 3.762 0 30 DHAC CC(C)(F)/C(=C/C(=O)O)c1cc(F)cc(Br)c1 72233132 FWXJMNXEJGLZDT-UXBLZVDNSA-N 305.118 3.804 0 30 DHAC CN1N=C2c3ccccc3CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 104851 XQJMQZZYRCGLLR-OXJNMPFZSA-N 320.392 3.759 0 30 DHAC COC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1 115476697 PYULKZMQZIYPCK-UHFFFAOYSA-N 319.401 3.588 0 30 DHAC CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1Cc1ccc(Cl)cc1 396429372 QKXZBPRXGLIIMX-CABCVRRESA-N 324.852 3.609 0 30 DHAC CC(C)(C)C(=O)OCc1nc(-c2ccc3c(c2)OCO3)cs1 157179 AASPJRBQQWEFKE-UHFFFAOYSA-N 319.382 3.628 0 30 DHAC O=C(Nc1ccc2nsnc2c1)Nc1ccccc1Cl 12340904 SDCVOQWLMBIVBI-UHFFFAOYSA-N 304.762 3.989 0 30 DHAC Cc1ccccc1CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 725811974 IRWZAQDOPWZCRG-QGZVFWFLSA-N 318.461 3.826 0 30 DHAC Cc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1 69499 GGOAWUQFHPPYGL-UHFFFAOYSA-N 317.435 3.688 0 30 DHAC O=C(Cc1cccc2ccccc12)Nc1ccc2nccnc2c1 131548 COCWHXBGDONCCB-UHFFFAOYSA-N 313.360 3.964 0 30 DHAC Cc1cc(N)c2cc(Br)cc(Br)c2n1 32099238 IXZLFYGREGHTRA-UHFFFAOYSA-N 315.996 3.650 0 30 DHAC COc1cc2c(cc1CNCc1ccsc1C)O[C@H](C)C2 294260556 UYQWNZAMNDGGQW-LLVKDONJSA-N 303.427 3.678 0 30 DHAC CCc1ccc(C(=O)Nc2ncc(C)cc2Br)cc1 147811 GFHFJLGMJXWYLP-UHFFFAOYSA-N 319.202 3.967 0 30 DHAC CO[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 39095088 YHMRGJSWKKNBFG-YNZDMMAESA-N 318.457 3.504 0 30 DHAC CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)sc1C(N)=O 116976 MASVGRZPPFPAGO-UHFFFAOYSA-N 316.426 3.770 0 30 DHAC COc1cc(C)cc(C)c1NC(=O)CCN1CCCC[C@@H]1C 823 UJCARUGFZOJPMI-HNNXBMFYSA-N 304.434 3.515 0 30 DHAC in-man O=C1C(=NO)c2ccccc2N1Cc1ccc(Cl)cc1Cl 254900924 GBRKZCDVNNWGRO-UHFFFAOYSA-N 321.163 3.719 0 30 DHAC C[C@H](Cc1ccc(C(C)(C)C(=O)O)cc1)CN1CCCCC1 675050418 HUBFIOLHRCECQI-OAHLLOKOSA-N 303.446 3.713 0 30 DHAC Cc1c(Cl)cccc1NC(=O)NC1Cc2ccccc2C1 171388 YPBVAJXNJMEIAG-UHFFFAOYSA-N 300.789 3.937 0 30 DHAC O=C1Nc2cc(Cl)c(Cl)cc2C(=O)[C@@]1(F)c1ccccc1 163458 BVQZTGMWOCVHPR-HNNXBMFYSA-N 324.138 3.993 0 30 DHAC CC(C)c1ccc(CCCC(=O)N2CCN(C)CC2)cc1Cl 31561612 STVFWUDESBUTFY-UHFFFAOYSA-N 322.880 3.560 0 30 DHAC Cc1ccc(C(=O)COc2ncnc3cc(Cl)ccc23)cc1 154257 HDUOYHJRQVXVKW-UHFFFAOYSA-N 312.756 3.853 0 30 DHAC c1ccc(-c2nnc(-c3csc(-c4cccnc4)n3)o2)cc1 172653 FTFJPDGUZZKKIW-UHFFFAOYSA-N 306.350 3.922 0 30 DHAC CCCCCc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 4297057 OVJWGQJFPZZYSG-UHFFFAOYSA-N 318.442 3.924 0 30 DHAC C/[S@@](=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 13464319 GWHNOWFXNJODPS-SFHVURJKSA-N 313.831 3.520 0 30 DHAC Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)O 953091078 DHIAOADULXQCLR-UHFFFAOYSA-N 319.401 3.808 0 30 DHAC C[C@H]([C@@H](O)c1ccc(CCc2ccccc2)cc1)n1ccnc1 27770050 YGQLCGKNFWSRFH-OXQOHEQNSA-N 306.409 3.963 0 30 DHAC CCCc1c(C)nc(-c2ccc(C)cc2)nc1OC(=O)N(C)C 73977 LJYWDVQORAYADW-UHFFFAOYSA-N 313.401 3.773 0 30 DHAC C=C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Cl)cc1 604971571 ACTOKBRCQMVJJQ-ZSHCYNCHSA-N 305.805 3.522 0 30 DHAC O=C(CSc1ccc(Cl)cc1)NC1Cc2ccccc2C1 171463 KLHKGOGUMIXRCY-UHFFFAOYSA-N 317.841 3.716 0 30 DHAC CCOC(=O)Cc1csc(-c2cccc(-n3cccc3)c2)n1 120397 SBYCZKVJQFXOKE-UHFFFAOYSA-N 312.394 3.706 0 30 DHAC CC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2Cl)c1 68035 OHORXYDQEZINLP-UHFFFAOYSA-N 302.761 3.859 0 30 DHAC O=Cc1ccccc1OCCCCCOc1ccccc1C=O 96906512 QLJVILWLBUGBOX-UHFFFAOYSA-N 312.365 3.940 0 30 DHAC CCN(CC)CCOC(=O)C1(c2ccccc2)CCCCC1 1622059 LUPORYLKHVXGFV-UHFFFAOYSA-N 303.446 3.774 0 30 DHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1CCCCC[C@@H]1O 2265352050 ONCFXGWMYOBHES-BPKGMFCQSA-N 311.466 3.867 0 30 DHAC CCc1cc(OC(=O)N(C)C)nc(-c2ccc(F)c(Cl)c2)n1 90059 ZDRIFOLTTFLYHU-UHFFFAOYSA-N 323.755 3.559 0 30 DHAC O[C@]1(c2cccc(Cl)c2)CCCN(Cc2ccccc2)C1 34475161 SKCSHTQTBMBQCL-GOSISDBHSA-N 301.817 3.824 0 30 DHAC CCOC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1 2576324 USLGFBHQKZHFDW-UHFFFAOYSA-N 306.365 3.780 0 30 DHAC C[C@]1(c2ccccc2)C(=O)N(CN2CCCCC2)c2ccccc21 3604507 SVIWCQZMJCTJMJ-OAQYLSRUSA-N 320.436 3.783 0 30 DHAC COc1ccc2[nH]c(C(=O)N(C)c3ccc(F)cc3F)cc2c1 114558 PGNYZGPMPWILSY-UHFFFAOYSA-N 316.307 3.731 0 30 DHAC O=C(NCCc1ccccn1)c1sc2ccccc2c1Cl 68053 HVYBIOTXSVVGNH-UHFFFAOYSA-N 316.813 3.922 0 30 DHAC O=C(Nc1ccc2nsnc2c1)c1ncoc1-c1ccccc1 12340858 OUPXBBVUTHAENQ-UHFFFAOYSA-N 322.349 3.599 0 30 DHAC CC[C@@]1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2003280 GCWIEWHVHGXXHE-AWEZNQCLSA-N 317.168 3.612 0 30 DHAC COc1ccc2c(c1)CC[C@H]1C2=NN(C)[C@@H]1c1ccc(F)cc1 102824 GZZDATZATMQJKR-PKOBYXMFSA-N 310.372 3.788 0 30 DHAC CCOC(CSc1cccc(Br)c1)OCC 40448646 MOPQTTCHAQKKMZ-UHFFFAOYSA-N 305.237 3.940 0 30 DHAC Clc1cc(Oc2cn(C3CC3)nc2C2CCOCC2)ccn1 1504000208 LDLITCZCUWYMMN-UHFFFAOYSA-N 319.792 3.953 0 30 DHAC CCCCOC(=O)c1ccc(COCCN(CC)CC)cc1 1853776 FUSYNERXYOYGKA-UHFFFAOYSA-N 307.434 3.502 0 30 DHAC CCOC(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 97713 AENYEFMNGXFGJB-UHFFFAOYSA-N 318.373 3.811 0 30 DHAC COc1ccc(-c2ccccc2)c(Br)c1C(=O)O 85472083 VZEOWCJVKTZDLS-UHFFFAOYSA-N 307.143 3.823 0 30 DHAC Fc1ccc2c(Br)ncc(Br)c2c1 642884597 AJAAUHZIOPEWFB-UHFFFAOYSA-N 304.944 3.899 0 30 DHAC Cc1cc(-c2onc(C)c2C(=O)Oc2ccc(Cl)cc2)no1 122284 OBFPSPSVYYPCPP-UHFFFAOYSA-N 318.716 3.819 0 30 DHAC CCOC(=O)[C@H]1CCc2ccc(OCc3ccccc3)cc2O1 38316898 SAJPHBVKQLIQOR-QGZVFWFLSA-N 312.365 3.522 0 30 DHAC c1ccc2c(c1)N[C@@H](c1ccc3nsnc3c1)c1cccn1-2 158241 ZRWBIPWVJUYASZ-KRWDZBQOSA-N 304.378 3.997 0 30 DHAC Cc1[nH]c2ccccc2c1CCN1CCN(c2ccccc2)CC1 2038069 FVTXUALVQNDJRJ-UHFFFAOYSA-N 319.452 3.841 0 30 DHAC CC1(C)Cc2cccc(C(=O)Nc3ccc(F)cc3F)c2O1 129999 XIFCXGHJQGURRX-UHFFFAOYSA-N 303.308 3.931 0 30 DHAC CCOC(=O)c1cc(C)n(Cc2c(Cl)cccc2Cl)n1 127796 OZROIZCNFPAJTR-UHFFFAOYSA-N 313.184 3.723 0 30 DHAC Cc1nnc(SCc2ccc(Cl)cc2)nc1C=CN(C)C 98022037 RHBYHXLJTKFAOR-UHFFFAOYSA-N 320.849 3.658 0 30 DHAC COc1ccc(C=CC2=NN(Cc3ccccc3)C(=O)CC2)cc1 2265269951 ZPDCJGHYKWGVHZ-UHFFFAOYSA-N 320.392 3.887 0 30 DHAC Cc1cc(CNC(=O)Nc2c(C)noc2C)c(C(F)(F)F)o1 1034925 ZHGDCVHWCPRGGA-UHFFFAOYSA-N 317.267 3.533 0 30 DHAC COc1ccc(Br)cc1SC1CCOCC1 181322026 JCPLROQIINAXRM-UHFFFAOYSA-N 303.221 3.729 0 30 DHAC C[Si](C)(C)N([Si](C)(C)C)[Sn](C)(C)C 195763148 MLUZPJGIJKYKQM-UHFFFAOYSA-N 324.205 3.793 0 30 DHAC CCCCNC(=O)[C@H](C)Nc1ccnc2cc(Cl)ccc12 33638852 ZBFLWUVCILIZGY-NSHDSACASA-N 305.809 3.605 0 30 DHAC Cc1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1 150202 YXUOSVTVWAHYRS-UHFFFAOYSA-N 300.301 3.847 0 30 DHAC COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NCC2 3083156 PAYKLHWMLACKAE-UHFFFAOYSA-N 301.773 3.751 0 30 DHAC O=C1C=C(c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 6864070 MDCYQGRGADEEKU-UHFFFAOYSA-N 318.159 3.950 0 30 DHAC CC[C@H](C(=O)OCCCN1CCCC[C@H]1C)c1ccccc1 255974427 GMKRJJQRDLKNHL-AEFFLSMTSA-N 303.446 3.988 0 30 DHAC CCCc1c(SC(=O)N(C)C)ccc2c(C)cc(=O)oc12 133043 CSXBHDGJMQFUOG-UHFFFAOYSA-N 305.399 3.828 0 30 DHAC O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1Cl 8699176 IDICLIGALZTBJB-JKSUJKDBSA-N 315.800 3.640 0 30 DHAC CCCCOC(=O)CSCC(=O)OC[C@@H](CC)CCCC 33610825 ICKUQBKYPDFCFJ-AWEZNQCLSA-N 318.479 3.823 0 30 DHAC CCCCCCCC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2037972 ADMXJQOJLRCZDT-OAHLLOKOSA-N 322.449 3.764 0 30 DHAC CC(C)(C)C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1 172766 MCLUEMCCJSTHSD-UHFFFAOYSA-N 304.337 3.565 0 30 DHAC O=c1c2ccccc2nc(S)n1-c1c(Cl)cccc1Cl 100397452 NMXOPWCRFUBDNI-UHFFFAOYSA-N 323.204 3.981 0 30 DHAC CCC(=O)N(C[C@@H](C)N(C)CCc1ccccc1)c1ccccc1 1850015 RXTHKWVSXOIHJS-GOSISDBHSA-N 324.468 3.993 0 30 DHAC in-man CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccncc1 254762876 DQLWAVGEZZRKLT-UHFFFAOYSA-N 314.698 3.985 0 30 DHAC Cc1cc(=O)oc2[nH]nc(CSc3ccc(Cl)cc3)c12 4693199 WYEMPSJNCJHDDA-UHFFFAOYSA-N 306.774 3.770 0 30 DHAC CC(C)(CC(=O)NCC1(N)CCCCCC1)c1ccccc1 428584614 VRCOAXSPNAGBBV-UHFFFAOYSA-N 302.462 3.522 0 30 DHAC CC1(C)S[C@H](c2ccc(Cl)cc2Cl)N[C@H]1C(=O)O 134502 YRSQTILUDWVTDT-VHSXEESVSA-N 306.214 3.560 0 30 DHAC CC(=O)C[C@H](Cc1onc(C)c1[N+](=O)[O-])c1ccccc1Cl 38278115 YLPGEHUAUGXXFD-LLVKDONJSA-N 322.748 3.850 0 30 DHAC Cc1ccc(SCCS(=O)(=O)c2ccc(C)cc2)cc1 165289 CRGRIMREFZQUPF-UHFFFAOYSA-N 306.452 3.869 0 30 DHAC CCOC(=O)[C@@](C)(O)c1cccc2c(-c3ccccc3)coc12 38614183 IQLIOUSSZDMCHB-IBGZPJMESA-N 310.349 3.870 0 30 DHAC O=c1c2ccccc2c(-c2ccccc2)nn1CN1CCCCC1 104692 LFBDXSMOKWHEGQ-UHFFFAOYSA-N 319.408 3.507 0 30 DHAC CNC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C 141775 ZGLUCONNEQRUGD-UHFFFAOYSA-N 318.591 3.501 0 30 DHAC COC(=O)c1ccc(-c2cn3ccc(C(F)(F)F)cc3n2)cc1 39325721 IAULBTDPFGHGFQ-UHFFFAOYSA-N 320.270 3.807 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@@H](CCC[C@@H]2CCCNC2)C1 1535990499 VBENSLXNARCMAJ-HZPDHXFCSA-N 310.482 3.803 0 30 DHAC CCN(CC)[C@H]1OC(=O)C(c2ccccc2)=C1c1ccccc1 38290211 NWJMPKWSDOMBBD-IBGZPJMESA-N 307.393 3.822 0 30 DHAC C[C@H](N[P@@](=O)(Cl)Oc1ccccc1)C(=O)OC(C)(C)C 135962871 XAVGOMLTCARSJX-WVDJIFEKSA-N 319.725 3.732 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@H](CCC[C@@H]2CCCNC2)C1 1535990488 VBENSLXNARCMAJ-CVEARBPZSA-N 310.482 3.803 0 30 DHAC Cc1nc([C@@H](C)C(=O)O)c(Sc2cccc(Cl)c2)n1C 32025117 AQCZCMPLCFTXMO-MRVPVSSYSA-N 310.806 3.721 0 30 DHAC COc1ccc(OC)c(NC(=O)c2ccc(SC)s2)c1 109332 AHGZMQBVJMLKNB-UHFFFAOYSA-N 309.412 3.740 0 30 DHAC Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccccc1F 157693 BPQCKSHEXKCEEB-UHFFFAOYSA-N 310.332 3.870 0 30 DHAC c1ccc(N2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 3642178 IPWVMIXDMGMNDF-UHFFFAOYSA-N 305.425 3.533 0 30 DHAC Cc1cn(CCC(=O)NC2Cc3ccccc3C2)c2ccccc12 146226 OXBWTTFOSCSVPI-UHFFFAOYSA-N 318.420 3.623 0 30 DHAC CN1CCC(C2(O)c3ccccc3C=Cc3ccccc32)CC1 33985905 NPSCPXDYXVEYQW-UHFFFAOYSA-N 305.421 3.748 0 30 DHAC in-vitro Cc1nc(S)nc(O)c1Oc1cccc(C(F)(F)F)c1 13469655 GSQGKJSYUKCZED-UHFFFAOYSA-N 302.277 3.590 0 30 DHAC CC(=O)OCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)cc1F 223769391 DHHORSPQILTIRM-LBPRGKRZSA-N 316.328 3.660 0 30 DHAC Cc1ccc(C=CC(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 2265272115 IPXSZYICVIVCPJ-KRWDZBQOSA-N 307.349 3.728 0 30 DHAC Brc1cccc(-c2cnc(Br)o2)c1 258458654 GRRQQGLNEAAMBP-UHFFFAOYSA-N 302.953 3.867 0 30 DHAC CSc1[nH]nc(NC(=O)c2cccs2)c1-c1ccccn1 4693583 FCHGRPDVOQJAJE-UHFFFAOYSA-N 316.411 3.507 0 30 DHAC Clc1cc2ncnc(Cl)c2cc1I 114719592 ZAMPZNQZEXEDBG-UHFFFAOYSA-N 324.936 3.541 0 30 DHAC O=c1onc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1 78162 YIRQYALWFSVLDV-UHFFFAOYSA-N 306.243 3.511 0 30 DHAC CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccccc1OC2 1565504671 DBKAFBSUPMKTEE-UHFFFAOYSA-N 318.417 3.508 0 30 DHAC CCO[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 5334842 XGDJUIWMIKCXJN-SFHVURJKSA-N 300.354 3.664 0 30 DHAC CCCCOCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C 5821449 GWFGUAFFJVHZKY-ZDUSSCGKSA-N 314.809 3.776 0 30 DHAC C[C@H](C(=O)O)c1ccc(SN2Cc3ccccc3C2=O)cc1 38605315 BQXPBLHGEANIBE-NSHDSACASA-N 313.378 3.538 0 30 DHAC CCOC(=O)[C@](C)(O)c1cccc2c(-c3ccccc3)coc12 38614180 IQLIOUSSZDMCHB-LJQANCHMSA-N 310.349 3.870 0 30 DHAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccc(Br)cc1 83328580 MPWKHQPBFZKBHK-PWSUYJOCSA-N 311.175 3.523 0 30 DHAC CS(=O)(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1 109007 QABIMNOHTOCIKL-UHFFFAOYSA-N 321.345 3.805 0 30 DHAC CC[C@@]1(C/C=C2\CCCc3cc(OC)ccc32)C(=O)CC[C@@H]1O 31350945 ZXYHLOFRRMDJAQ-SZNDVJGKSA-N 314.425 3.925 0 30 DHAC COC(=O)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cc1 116777740 WIAPYPPGIDQQPV-CQSZACIVSA-N 305.374 3.545 0 30 DHAC Cn1ccsc1=NC(=S)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 254310161 RRMXBPATGWUQPV-APPZFPTMSA-N 321.298 3.906 0 30 DHAC COc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1 27983891 BRUSFAZPHIPJRR-UHFFFAOYSA-N 308.385 3.804 0 30 DHAC O=C(c1cn(Cc2ccccc2)c2ccccc12)n1ccnc1 1565524272 DRGYXBDYEPFHIH-UHFFFAOYSA-N 301.349 3.575 0 30 DHAC CC[C@]1(C/C=C2\CCCc3cc(OC)ccc32)C(=O)CC[C@H]1O 5954998 ZXYHLOFRRMDJAQ-IWNSMCSQSA-N 314.425 3.925 0 30 DHAC COc1ccc(CCC(=O)c2ccc(OC)cc2OC)cc1 129404 RLXIJVAQVDODQY-UHFFFAOYSA-N 300.354 3.528 0 30 DHAC Brc1cccc(-c2cccc(-c3ccccn3)n2)n1 35654029 NOECZPHCYMKZOF-UHFFFAOYSA-N 312.170 3.968 0 30 DHAC CCN(CC)CCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 4214601 ZNYIBRGXWAWBAL-IBGZPJMESA-N 308.425 3.574 0 30 DHAC in-man C[C@H]([C@H](O)c1ccc(CCc2ccccc2)cc1)n1ccnc1 27770061 YGQLCGKNFWSRFH-UZLBHIALSA-N 306.409 3.963 0 30 DHAC O=C(O)CC1(CC(=O)Nc2ccc(F)cc2F)CCCCC1 129720 DOSZZUBQSRHSJF-UHFFFAOYSA-N 311.328 3.719 0 30 DHAC CN1N=C2c3ccccc3CCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 4389042 XQJMQZZYRCGLLR-OXQOHEQNSA-N 320.392 3.759 0 30 DHAC COc1ccc(CNc2nc(C(F)(F)F)nc(C)c2C)cc1 4394645 LRBXUPXMBDVBRL-UHFFFAOYSA-N 311.307 3.733 0 30 DHAC CC1=CC[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 100394893 XVMHMVDTROABSK-CHWSQXEVSA-N 310.180 3.839 0 30 DHAC Cc1ncc(CSc2nc(C(C)(C)C)cs2)c(CO)c1O 140543 BUFSORMOWJGLLJ-UHFFFAOYSA-N 324.471 3.634 0 30 DHAC CCCCOCCOC(=O)[C@@H](c1ccccc1)N1CCCCC1 56898781 MNBLDUWBHRTWEP-GOSISDBHSA-N 319.445 3.574 0 30 DHAC in-man Cc1ccc(C2CC2)c(C(=O)NCc2ccc([C@H](C)N)cc2)c1 424072984 DSITTZOTBFTJPV-AWEZNQCLSA-N 308.425 3.822 0 30 DHAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](Cc1ccccc1)C(=O)C2 2265378637 WNDDOGNGDRXVNB-JYJNAYRXSA-N 315.413 3.586 0 30 DHAC CCCN1CCc2cccc3c2[C@@H]1Cc1ccc2c(c1-3)OCO2 34080800 YSONYEIWWIFWEV-INIZCTEOSA-N 307.393 3.948 0 30 DHAC O=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 254843472 WKSMVFBUIFIGGH-UHFFFAOYSA-N 321.163 3.843 0 30 DHAC BrC(Br)=Cc1ccc2c(c1)OCO2 114724821 YRYRFIXIDMZLLK-UHFFFAOYSA-N 305.953 3.504 0 30 DHAC O=c1[nH]nc(CSc2ccc(Cl)cc2)n1-c1ccccc1 172969 XZAALUVKVHHSCU-UHFFFAOYSA-N 317.801 3.506 0 30 DHAC COP(=O)(OC)Oc1nc(Cl)c(Cl)cc1Cl 2037152 XCBOKUAJQWDYNI-UHFFFAOYSA-N 306.469 3.822 0 30 DHAC in-man O=C1N2C=C(Cl)C=CC2=NC1(c1ccccc1)c1ccccc1 143786890 RLXOJXZOKVTEOW-UHFFFAOYSA-N 320.779 3.821 0 30 DHAC O=C(Nc1ccc(Cl)cc1)N1CCO[C@@H]1c1cccs1 172290 FYASOHMZOMYOEU-CYBMUJFWSA-N 308.790 3.964 0 30 DHAC COc1cccc(NC(=S)Nc2ccc(OC)c(OC)c2)c1 66971 DNWXRGYJCBRJBF-UHFFFAOYSA-N 318.398 3.521 0 30 DHAC CCCCCCCC[C@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2037971 ADMXJQOJLRCZDT-HNNXBMFYSA-N 322.449 3.764 0 30 DHAC Cn1cc(NC(=O)Nc2ccc(Cl)cc2)c(C(F)(F)F)n1 81702 XZIGZPRJTPDGCR-UHFFFAOYSA-N 318.686 3.736 0 30 DHAC Cc1nc(COc2ccc(C(C)(C)C)cc2)[nH]c(=O)c1Cl 11328290 MDXJSXCBEBSWGM-UHFFFAOYSA-N 306.793 3.608 0 30 DHAC CCOC(=O)c1cc(C)nc(Sc2ccccc2Cl)n1 126876 XLGMNJTZKSPOBO-UHFFFAOYSA-N 308.790 3.766 0 30 DHAC CC(=O)O[C@H]1CCCN[C@@H]1C(c1ccccc1)c1ccccc1 3622157 BSPGKOYLLQRMCH-ICSRJNTNSA-N 309.409 3.502 0 30 DHAC CCOc1ccccc1/C=C1/N=C(c2cccc(C)c2)OC1=O 70853 HPXAIYXNFRVOTM-FOWTUZBSSA-N 307.349 3.738 0 30 DHAC Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1 91382 LCGMYNLAJRJRLO-UHFFFAOYSA-N 300.821 3.535 0 30 DHAC Cc1ccccc1C(=O)Nc1nc2c(C)csc2c(=O)s1 119635 LTTCVMLVZNEXIE-UHFFFAOYSA-N 316.407 3.587 0 30 DHAC Cc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)c(C)c1 2265272107 ZQTBQELLTPFCJZ-UHFFFAOYSA-N 310.422 3.830 0 30 DHAC CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1 2064 BOFYHBVFGWJLIZ-UHFFFAOYSA-N 312.413 3.660 0 30 DHAC in-man Clc1cccc(Cl)c1NC1=NCCN1[C@@H]1CCCCO1 33637028 OVDYQESYGJDCSB-LBPRGKRZSA-N 314.216 3.604 0 30 DHAC Cc1cccc(C)c1-n1c([C@@H]2C[C@H]3CC[C@H]2O3)n[nH]c1=S 102938748 WSLBIGUWJZUQJP-JHJVBQTASA-N 301.415 3.582 0 30 DHAC CCOc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 77391 IYOYVCJQXVVEMY-UHFFFAOYSA-N 310.275 3.751 0 30 DHAC CN(C)C=C(C#N)c1ccc(C(=O)c2ccc(F)cc2)s1 5659001 DQBAUZCXAARMQS-UHFFFAOYSA-N 300.358 3.544 0 30 DHAC Clc1nc(Cl)c(Br)cc1Br 95932112 RCTRHPMUUQUWIK-UHFFFAOYSA-N 305.784 3.913 0 30 DHAC O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1 152440 MGVRFGJBVLXCQD-UHFFFAOYSA-N 321.405 3.908 0 30 DHAC N[C@@H]1CCCc2c(Br)cc(Br)cc21 238598020 DLMBQGHXNMPNFN-SNVBAGLBSA-N 305.013 3.548 0 30 DHAC Cc1cccc(C=NNC(=O)c2ccccc2-n2cccc2)c1 12955377 AYODXGUHXLQXGL-UHFFFAOYSA-N 303.365 3.550 0 30 DHAC CNC(=S)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 106714 BCMIUJQNLMCQNQ-AWEZNQCLSA-N 322.886 3.853 0 30 DHAC O=C(Cc1cccs1)NCc1cc(Cl)cc(Cl)c1 131881 MPMBZTOUAZTDBG-UHFFFAOYSA-N 300.210 3.914 0 30 DHAC Clc1cnc2cc(Br)c(Br)cc2n1 2265383624 GEAHKPWZPYBNFI-UHFFFAOYSA-N 322.387 3.808 0 30 DHAC CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)SCCO1 129201 ODNWBUYILSRYBD-UHFFFAOYSA-N 304.198 3.927 0 30 DHAC c1ccc(N2CCN(Cc3ccc4ccccc4n3)CC2)cc1 71617367 AYYGDHAILGUSIQ-UHFFFAOYSA-N 303.409 3.557 0 30 DHAC Cc1ccc(CSc2nnc(-c3csc(C)n3)n2C)cc1 120933 WBBMJECJICSGIW-UHFFFAOYSA-N 316.455 3.848 0 30 DHAC Cc1nc(-c2ccccn2)nc(NCc2ccco2)c1Cl 35606143 AEKGNMVOTPOSID-UHFFFAOYSA-N 300.749 3.706 0 30 DHAC CCOC(=O)[C@@H]1CCCc2c1[nH]c1ccc(OC(F)F)cc21 90470802 HRNXWTWMHYIKIZ-LLVKDONJSA-N 309.312 3.752 0 30 DHAC Cc1ccc(CSC2=NCN(Cc3ccccc3)CN2)cc1 145027 NHFFNWPLUHEILP-UHFFFAOYSA-N 311.454 3.605 0 30 DHAC COC(OC)c1cccc(Oc2cccc(Br)n2)c1 15042815 ROZKOJWUKBKEKX-UHFFFAOYSA-N 324.174 3.928 0 30 DHAC CCc1ccc(C)c(NC(=O)Nc2nnc(C3CC3)s2)c1 4333973 JYWATKAJYMBKAO-UHFFFAOYSA-N 302.403 3.930 0 30 DHAC C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCc1ccccn1 33867283 YWZIEMWNWBRJHV-ZDUSSCGKSA-N 308.347 3.864 0 30 DHAC CC(C)[C@@](O)(CC(=O)O)c1ccc(-c2ccc(F)cc2)cc1 95832016 NMFHEHRYTRSFNQ-SFHVURJKSA-N 302.345 3.811 0 30 DHAC O=C(Nc1ccc2nn[nH]c2c1)c1ccc(Cl)c(Cl)c1 67985 ZTSBQYPCVIXEIC-UHFFFAOYSA-N 307.140 3.517 0 30 DHAC Oc1ccc(-c2csc3nc(-c4ccccc4)nn23)c(O)c1 75350 QSLAEURNDLKNBI-UHFFFAOYSA-N 309.350 3.536 0 30 DHAC COc1ccc2c([N+](=O)[O-])c(OC)ccc2c1Br 32275866 IJYZMNVYZUFQFI-UHFFFAOYSA-N 312.119 3.528 0 30 DHAC CCOc1ccccc1/N=N/[C@@H]1C(=O)N(c2ccccc2)N=C1C 100346330 LOLWANDOFSMIGV-NRTINQSCSA-N 322.368 3.960 0 30 DHAC C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1cccc(Cl)c1 67085 JLOPWCVVRHEVAL-LLVKDONJSA-N 314.772 3.718 0 30 DHAC O=C(NC[C@H](O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 152414 NQFOQVQVGDWHMS-AWEZNQCLSA-N 324.302 3.561 0 30 DHAC Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(Cl)c3c2)cc1 114784 CPSRXADKKBCMHA-UHFFFAOYSA-N 320.801 3.931 0 30 DHAC CCOc1ccc(C(=O)C=CC(=O)Nc2ccc(F)cc2)cc1 8733363 WLLCRGLVMAKYAZ-UHFFFAOYSA-N 313.328 3.602 0 30 DHAC O=c1ccc(C=Cc2ccccc2)nn1Cc1ccc(F)cc1 2265276273 JZKNTPNSXNSIBW-UHFFFAOYSA-N 306.340 3.601 0 30 DHAC O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nonc2c1 171097 CNHQACZJTANFKQ-UHFFFAOYSA-N 322.246 3.886 0 30 DHAC COc1ccc(C=CNc2cc3c(cc2C(C)=O)OCO3)cc1 2265271921 HVCVSIBWQLCPIP-UHFFFAOYSA-N 311.337 3.709 0 30 DHAC FC(F)(F)c1cc(N2CCOCC2)c2cccc(Cl)c2n1 171141 WUQAOCQXTXJCBH-UHFFFAOYSA-N 316.710 3.744 0 30 DHAC CCCCNC(=O)[C@@H](C)Nc1ccnc2cc(Cl)ccc12 33638850 ZBFLWUVCILIZGY-LLVKDONJSA-N 305.809 3.605 0 30 DHAC COC(=O)[C@@H](c1ccccc1Cl)N(C)CCc1cccs1 215405762 ABZKNRNOULMZHY-OAHLLOKOSA-N 323.845 3.790 0 30 DHAC C[C@@H]1CC(=O)c2sc(NC(=O)C=Cc3ccccc3)nc2C1 2265279724 BECDVWHGKFPJNO-NSHDSACASA-N 312.394 3.560 0 30 DHAC O=S(=O)(c1ccccc1)n1ccc2c(F)cc(Cl)cc21 238730490 MNMFWUBNQCSUAD-UHFFFAOYSA-N 309.749 3.671 0 30 DHAC CNC(=S)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 106711 BCMIUJQNLMCQNQ-CQSZACIVSA-N 322.886 3.853 0 30 DHAC CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc(N)cc12 33876008 VDWMFSBLEFTMJG-CQSZACIVSA-N 300.450 3.739 0 30 DHAC CCN1CN=C(SCc2c(C)c(C)c(C)c(C)c2C)NC1 144740 MCTXLSSLBNCAKW-UHFFFAOYSA-N 305.491 3.658 0 30 DHAC CC[C@@H](C(=O)OCCCN1CCCC[C@@H]1C)c1ccccc1 1844677 GMKRJJQRDLKNHL-FUHWJXTLSA-N 303.446 3.988 0 30 DHAC Brc1ccc(-c2cnc(Br)o2)cc1 258530798 MLCZQCSXMDKRBK-UHFFFAOYSA-N 302.953 3.867 0 30 DHAC Cc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1C 148415 NTYKGVIMGOWSNK-UHFFFAOYSA-N 304.369 3.809 0 30 DHAC Cc1nnsc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 155184 BMEBBHVRIWBMLN-UHFFFAOYSA-N 312.276 3.582 0 30 DHAC COc1ccc(-c2csc(COC(=O)C(C)(C)C)n2)cc1 156531 QQULOSJCIASIMO-UHFFFAOYSA-N 305.399 3.908 0 30 DHAC Clc1cccc(N2CCN(CCOc3ccccc3)CC2)c1 33884985 HFMFEUWHKSJGAV-UHFFFAOYSA-N 316.832 3.541 0 30 DHAC O=c1c(Cl)c(Cl)cnn1-c1ccccc1C(F)(F)F 95929972 WVDKLQRXAMTHTJ-UHFFFAOYSA-N 309.074 3.558 0 30 DHAC N[C@H]1CCCc2c(Br)cc(Br)cc21 238578536 DLMBQGHXNMPNFN-JTQLQIEISA-N 305.013 3.548 0 30 DHAC Fc1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@@H]32)cc1 252428112 QGSKFVUMFGVPNT-RLPSOPLKSA-N 302.418 3.713 0 30 DHAC O=C(O)c1csc2nc(-c3cccc(Br)c3)cn12 40440926 VALRASYDSTUACR-UHFFFAOYSA-N 323.171 3.524 0 30 DHAC O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 146810 KRWXNCATVIUAPB-UHFFFAOYSA-N 308.164 3.606 0 30 DHAC COc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)O)cc1 81171 SWTXFXAFIQBLQQ-UHFFFAOYSA-N 323.352 3.631 0 30 DHAC C[C@@H](O)c1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc12 22053782 NSCGUYORSXNXSZ-YGRLFVJLSA-N 303.358 3.778 0 30 DHAC in-vitro c1ccc2c(c1)N[C@@H](c1ccc3c(c1)OCCO3)n1cccc1-2 158229 JTYHEIYSAAIMGZ-LJQANCHMSA-N 304.349 3.899 0 30 DHAC CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1Cc1ccc(Cl)cc1 396183987 QKXZBPRXGLIIMX-LSDHHAIUSA-N 324.852 3.609 0 30 DHAC CCOC(OCC)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 90295222 HCDQLMOBVPLCOE-UHFFFAOYSA-N 316.188 3.646 0 30 DHAC in-vitro CC(C)(C)OC(=O)NCc1c(C(=O)O)sc2ccccc12 736283512 HXFIRMJTIZPCNX-UHFFFAOYSA-N 307.371 3.624 0 30 DHAC O=C(C1CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 4324272 PJFRMQHPFQKWMX-UHFFFAOYSA-N 321.848 3.730 0 30 DHAC C[Si](C)(C)O[C@@]1(C#N)CCc2cc(Br)ccc21 200305547 BTESNBAXNUBLCW-CYBMUJFWSA-N 310.267 3.966 0 30 DHAC Cc1nnsc1C(=O)Nc1ccc(Oc2ccccc2)cc1 156171 UYVFSVRGHIETBL-UHFFFAOYSA-N 311.366 3.891 0 30 DHAC CC[C@H](O)c1ccc(OCCN[C@@H](C)Cc2ccccc2)cc1 1842859 DOBLSWXRNYSVDC-JXFKEZNVSA-N 313.441 3.730 0 30 DHAC in-man COc1cccc(-c2nc3sccn3c2C=Cc2cc[nH]n2)c1 2265276502 OMDGVMCVGLXLFX-UHFFFAOYSA-N 322.393 3.965 0 30 DHAC CCOC(=O)c1cc2c(Cl)ccc(C)c2nc1C(=O)OCC 32099511 QEKVMRPGZMRYHJ-UHFFFAOYSA-N 321.760 3.550 0 30 DHAC O=C(NC=Cc1ccco1)OCc1ccc(Br)cc1 2265278881 OPRWUACTFLPSTG-UHFFFAOYSA-N 322.158 3.939 0 30 DHAC O=c1[nH]nc(CSc2ccc(Cl)cc2)c2ccccc12 170810 LWTGGCVPJJLPGJ-UHFFFAOYSA-N 302.786 3.869 0 30 DHAC O=C1CS[C@H](c2ccccn2)N1c1ccc(C(F)(F)F)cc1 102030 NOAJKCWURNZYAQ-CQSZACIVSA-N 324.327 3.879 0 30 DHAC COc1cc(Cc2cc(OC)c(C)cc2OC)c(OC)cc1C 87241 ZYSPSAUYZWVCEK-UHFFFAOYSA-N 316.397 3.929 0 30 DHAC CC(C)(C)S(=O)(=O)Cc1nc(-c2cccc(F)c2)cs1 114063 WAABLEHWIPUAIR-UHFFFAOYSA-N 313.419 3.663 0 30 DHAC Cn1ccsc1=NC(=S)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 254310169 RRMXBPATGWUQPV-IONNQARKSA-N 321.298 3.906 0 30 DHAC COc1ccccc1C1CCN(C(=O)c2ccc(F)cc2)CC1 83378 XRZFCOSESZEDKZ-UHFFFAOYSA-N 313.372 3.854 0 30 DHAC FC(F)(F)Oc1ccccc1-c1nnc(-c2ccncc2)o1 122561 WBVPMCASLIQIMS-UHFFFAOYSA-N 307.231 3.697 0 30 DHAC O=C(c1cccs1)n1ccc(-c2nc3ccccc3s2)n1 36047232 WYRLAFDRMMIFBN-UHFFFAOYSA-N 311.391 3.910 0 30 DHAC Fc1ccc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc1 77569 UJTNBYLFIFVWPM-UHFFFAOYSA-N 309.222 3.957 0 30 DHAC O[C@]1(C#Cc2ccccc2)CCCC[C@H]1NCc1ccccc1 206481739 RPLFNJRZTWWRMD-RTWAWAEBSA-N 305.421 3.502 0 30 DHAC O=C(OC1CCCC1)c1cccc(C(=O)OC2CCCC2)c1 2017223 RWOGJKIDZVOJFG-UHFFFAOYSA-N 302.370 3.885 0 30 DHAC CN(C)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 98644 WPSBWRAIGZDWMR-UHFFFAOYSA-N 316.270 3.983 0 30 DHAC CC(C)NC(=O)c1ccccc1-c1ccccc1C(=O)NC(C)C 163016 IMNBBDDYIRWEMT-UHFFFAOYSA-N 324.424 3.630 0 30 DHAC CNC(=O)c1ccccc1Sc1ccc(Cl)cc1C(=O)O 133968 IRTZZHQCARMFTC-UHFFFAOYSA-N 321.785 3.549 0 30 DHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H]1CCCCC[C@H]1O 2265352051 ONCFXGWMYOBHES-DRRXZNNHSA-N 311.466 3.867 0 30 DHAC Cc1ccc(-n2c(=S)[nH]c3cccc(F)c3c2=O)cc1C 78863 PTCLEHWNMNCMTH-UHFFFAOYSA-N 300.358 3.804 0 30 DHAC COc1ccc2c(=O)c3ccc(Cl)cc3oc2c1CN(C)C 33649169 OFULJDBLNLYXEC-UHFFFAOYSA-N 317.772 3.670 0 30 DHAC Cn1ccsc1=NC(=S)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 254310173 RRMXBPATGWUQPV-VXNVDRBHSA-N 321.298 3.906 0 30 DHAC Cc1cc(=O)oc2c1c(-c1ccccc1)nn2-c1ccccc1 91775 OXEKMPYFRFURMJ-UHFFFAOYSA-N 302.333 3.954 0 30 DHAC Cc1cc(C)n(-c2ccccc2)c2nn(-c3ccccc3)c(=O)c1-2 173059 LUIUYGXMWCAILW-UHFFFAOYSA-N 315.376 3.745 0 30 DHAC COC(=O)c1ccc(-c2cn3c(C(F)(F)F)cccc3n2)cc1 39325700 ARCQSMZJHBTUAV-UHFFFAOYSA-N 320.270 3.807 0 30 DHAC O=C1Nc2ccccc2C1=Cc1cnc(N2CCCCC2)s1 2265276266 ICWVVIDPHHJAQI-UHFFFAOYSA-N 311.410 3.626 0 30 DHAC Cc1c(Cl)cccc1-n1c(CF)nc2ccccc2c1=O 5765011 WVXKNJCOURJHDJ-UHFFFAOYSA-N 302.736 3.817 0 30 DHAC CC(=O)c1cc(Br)c(C(C)=O)cc1Br 5481241 BYCHGOQCJHVYFQ-UHFFFAOYSA-N 319.980 3.617 0 30 DHAC O=C(Oc1ccccc1)c1ccccc1I 14777055 HUXVVBQIQZPBNL-UHFFFAOYSA-N 324.117 3.510 0 30 DHAC O=C(OCc1ccccc1)c1ccc(Br)cc1F 58092170 JTXNSDOLYAYGAB-UHFFFAOYSA-N 309.134 3.945 0 30 DHAC CO[C@H](N(Cc1ccccc1)C[Si](C)(C)C)C(F)(F)F 204918905 CUKBDXACQIOYMR-ZDUSSCGKSA-N 305.416 3.901 0 30 DHAC Cc1cc(C(=O)O)n(-c2cc(Cl)cc(C(F)(F)F)c2)n1 1565503674 LOIBPSAWIHPUOT-UHFFFAOYSA-N 304.655 3.551 0 30 DHAC C[C@@H]1CCCC(=O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1 101407429 MBMQEIFVQACCCH-AUXFESMGSA-N 318.369 3.580 0 30 DHAC Cc1ccc(C=CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 2265272116 IPXSZYICVIVCPJ-QGZVFWFLSA-N 307.349 3.728 0 30 DHAC COc1cc(N)c2ncccc2c1Oc1ccc(NC(C)=O)cc1 32285753 CMKLFULUOBYXKT-UHFFFAOYSA-N 323.352 3.576 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@]12CCN(Cc1ccccc1)C2 306608319 VSYWKWGAOXGIGS-LJQANCHMSA-N 316.445 3.662 0 30 DHAC C[C@H]1CCCC[C@@H]1NC(=O)NCCSCc1ccccc1 12793707 OWUXUXDKUOFZOQ-HOCLYGCPSA-N 306.475 3.798 0 30 DHAC CCCc1c(C)nc(SCc2ccc(Cl)cc2)[nH]c1=O 13467696 GDPNRBNWAUUGIF-UHFFFAOYSA-N 308.834 3.977 0 30 DHAC Clc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1 90494436 NVQAABVWCQLERV-UHFFFAOYSA-N 318.167 3.984 0 30 DHAC CNC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1 5525957 HXBIKXSRZGPORM-UHFFFAOYSA-N 301.752 3.580 0 30 DHAC in-vitro COc1ccccc1C1CCN(C(=O)c2cccs2)CC1 87296 TYOMLRFCMQKKEK-UHFFFAOYSA-N 301.411 3.777 0 30 DHAC C[C@H]1CCc2c(Br)cc(Br)c(O)c2N1 205497688 GXXSPDXYAPQZST-YFKPBYRVSA-N 321.012 3.664 0 30 DHAC c1ccc(-c2[nH]c3ccccc3c2SCc2nnn[nH]2)cc1 1844978 FKWWOWZDEPIERM-UHFFFAOYSA-N 307.382 3.640 0 30 DHAC CCN(CC)CCN(CCC(C)C)C(=O)N(C(C)C)C(C)C 2041363 PNRXGUVIQVEQMN-UHFFFAOYSA-N 313.530 3.915 0 30 DHAC O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1O 223481141 VTKGYHKOPNQVBM-UHFFFAOYSA-N 307.693 3.598 0 30 DHAC c1ccc(CN2CCN(Cc3ccc4occc4c3)CC2)cc1 42804962 LPGFROXKLSHTSS-UHFFFAOYSA-N 306.409 3.751 0 30 DHAC COc1ccc(OC)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 172829 QGRKGLKMIBQDDG-UHFFFAOYSA-N 309.724 3.749 0 30 DHAC COc1ccc2c(SC)c(C)n(C(=O)OC(C)(C)C)c2n1 1503898194 LIGVYOIRYJACJX-UHFFFAOYSA-N 308.403 3.858 0 30 DHAC Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2N)c(C)c1C 139508 CMLCZYQCHNIRCV-UHFFFAOYSA-N 318.442 3.612 0 30 DHAC O=C(Nc1ccc(Cl)cc1)Nc1ccc2nsnc2c1 12340879 DDYNVPHFIFGANZ-UHFFFAOYSA-N 304.762 3.989 0 30 DHAC Fc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1 20593942 FWWHYNBPGRFZLV-UHFFFAOYSA-N 309.060 3.793 0 30 DHAC in-vitro Cc1cccc(NC(=S)N2CCO[C@@H]2c2ccsc2)c1 172297 BPNRZYJZBJBELZ-CQSZACIVSA-N 304.440 3.784 0 30 DHAC CN(C)CCC[C@]1(O)C=CC2=C(CCC=C2)Cc2ccccc21 1996604 UGCNUYSIBDTHJX-NRFANRHFSA-N 309.453 3.975 0 30 DHAC CCCON/C(=C(/C)N=O)c1ccc(OC(F)(F)F)cc1 238854764 PGCZYIMNWBPEIA-UHFFFAOYSA-N 304.268 3.971 0 30 DHAC CS(=O)(=O)c1ccccc1-c1cccc(Br)c1 79628506 AESOFENBZVVIDN-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC COc1ccc(C(=O)NCc2c(-c3ccccc3)noc2C)cc1 105469 BYMLJJWALFKIFB-UHFFFAOYSA-N 322.364 3.589 0 30 DHAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccccc1Br 83328541 UVVMQPBDJHJONA-ZJUUUORDSA-N 311.175 3.523 0 30 DHAC CCc1cc(N(C)c2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C 147004988 KKINVABDQSGZBW-UHFFFAOYSA-N 311.385 3.772 0 30 DHAC Clc1sc(I)cc1Br 227742609 QOSAUCDYXCNBSY-UHFFFAOYSA-N 323.380 3.769 0 30 DHAC OC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 13475721 NGJGWNDBSJUZQU-UHFFFAOYSA-N 301.817 3.824 0 30 DHAC CC(C)(C)C(=O)Nc1ncccc1/C=C1\C(=O)Nc2ccccc21 12368808 GWPKWYHKRUGTPZ-KAMYIIQDSA-N 321.380 3.559 0 30 DHAC Cc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1 171602 AXXUGGLBNFJXQE-UHFFFAOYSA-N 308.337 3.766 0 30 DHAC CCOC(=O)Cc1cc(Cl)nc(-c2ccc(Cl)cc2)n1 95936078 WAJYJSYFFTXZKF-UHFFFAOYSA-N 311.168 3.556 0 30 DHAC O=C(NCc1ccc(-c2csnn2)cc1)Nc1ccccc1 106458 UFGMDSHZQUXUDO-UHFFFAOYSA-N 310.382 3.527 0 30 DHAC CC(=O)OCOC(=O)[C@H](C)c1ccc(-c2ccccc2)cc1F 223769454 DHHORSPQILTIRM-GFCCVEGCSA-N 316.328 3.660 0 30 DHAC COc1ccc(F)cc1COc1ncc(Br)s1 238855289 RHYCQJKHLQGWNU-UHFFFAOYSA-N 318.167 3.632 0 30 DHAC Cc1cc2ccc(NC(=O)N=c3cc[nH]c4cccnc34)cc2o1 575440212 CQHYHENNBDSKPT-UHFFFAOYSA-N 318.336 3.750 0 30 DHAC C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@@]34CO)[C@H]1CCC2=O 253497973 VTIPICLYPXESHJ-SEVYPCERSA-N 318.457 3.530 0 30 DHAC O=S1(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccccc21 169872 QIZPHRDUJPGYIB-ZDUSSCGKSA-N 310.827 3.961 0 30 DHAC CCCCC[C@H](C)NCC(C)(C)OC(=O)c1ccc(N)cc1 1995950 GTZQWZMZTIBVGV-AWEZNQCLSA-N 306.450 3.763 0 30 DHAC O=[S@](O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 33506685 FTICQHWSXCHDOQ-UHFFFAOYSA-N 320.801 3.535 0 30 DHAC Fc1ccc(N/C=C/c2nnnn2-c2ccccc2)cc1Cl 100209693 YXJUFWJUXDZLIK-CMDGGOBGSA-N 315.739 3.538 0 30 DHAC CCN(CC)CCNC(=O)[C@@H](C)c1ccc(-c2ccccc2)cc1 1846099 GXLWOFJVIBEMCS-KRWDZBQOSA-N 324.468 3.915 0 30 DHAC in-man COc1ccc2c(c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 31702701 XITPEPUPAYFVDV-BFDPJXHCSA-N 300.398 3.826 0 30 DHAC COC(=O)c1ncn(CCc2ccccc2)c1-c1ccccc1 95931936 INLFIIJYRLWWHH-UHFFFAOYSA-N 306.365 3.579 0 30 DHAC Cc1nc(C(F)(F)F)ccc1C(=O)Oc1ccc(F)cc1F 66406 SPHGFVQFIURNSG-UHFFFAOYSA-N 317.213 3.906 0 30 DHAC CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 72037885 HMZNFZNVNOGKPB-OAHLLOKOSA-N 322.424 3.562 0 30 DHAC O=C(Nc1ccccc1)c1cc(Br)cc2c1OCC2 169120 XECUKCFKWJZERC-UHFFFAOYSA-N 318.170 3.636 0 30 DHAC CCc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1 171569 NTSPMJDJCMWLIZ-UHFFFAOYSA-N 308.337 3.711 0 30 DHAC ClCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 218210678 IMTRSJYLOKKFOT-UHFFFAOYSA-N 307.652 3.744 0 30 DHAC Fc1cccc(F)c1CSc1ccccc1C1=NCCCN1 139183 IIXSESNTPZDVOB-UHFFFAOYSA-N 318.392 3.997 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 220761332 RKOLFFUVSKRANC-AWEZNQCLSA-N 324.852 3.829 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@@H](CCCC2CCNCC2)C1 1535989278 IFKZWJBNPFMQQS-MRXNPFEDSA-N 310.482 3.803 0 30 DHAC CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 669370683 WVEFTEZZHQMKFR-HTQZYQBOSA-N 318.236 3.891 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@@H](F)C[C@@]43C)[C@H]1CC[C@H]2O 90647892 QRNFMYYNRYGOQD-XNLWHXBOSA-N 306.421 3.827 0 30 DHAC Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1 78943 PWNFEFRGKMPFSG-UHFFFAOYSA-N 315.380 3.712 0 30 DHAC C[C@@H]1S[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O 101446 IXDRVFHZVJDSQV-ZUZCIYMTSA-N 304.802 3.902 0 30 DHAC CCc1cnc(NC(=O)OCC(Cl)(Cl)Cl)s1 39123836 ZDBWNFISCKKUQA-UHFFFAOYSA-N 303.598 3.624 0 30 DHAC CC1=C([C@@H](O)c2ccc(Cl)cc2)C2(CCCCC2)OC1=O 33890486 XSLSAXKPTOACNO-HNNXBMFYSA-N 306.789 3.950 0 30 DHAC CC(C)(C)OC(=O)N1CCC(Oc2cccc(Cl)n2)CC1 96304310 KHHURUBOLSDHDX-UHFFFAOYSA-N 312.797 3.513 0 30 DHAC O=C(Nc1sccc1-n1cccc1)NC1Cc2ccccc2C1 148030 MXOMGKVFUZLYCB-UHFFFAOYSA-N 323.421 3.828 0 30 DHAC C/C(=C1/CC=CC=C1C(N)=O)c1cccc(Br)c1 1081314777 IRGWETCLJBKITI-JLHYYAGUSA-N 304.187 3.594 0 30 DHAC CC(C)(C)OC(=O)N1CCNc2ccc(Br)cc21 211320199 IAFNDCQGIBCFLA-UHFFFAOYSA-N 313.195 3.616 0 30 DHAC CC(=O)C[C@@H](Cc1onc(C)c1[N+](=O)[O-])c1ccccc1Cl 38278116 YLPGEHUAUGXXFD-NSHDSACASA-N 322.748 3.850 0 30 DHAC Cc1cccc([C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 697345760 CNYYAIGNKYDMCF-MRXNPFEDSA-N 305.418 3.676 0 30 DHAC Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C#N)c12 39140352 WLJUADMHPMKYBJ-UHFFFAOYSA-N 302.259 3.619 0 30 DHAC C=C(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Cl)cc1 604971570 ACTOKBRCQMVJJQ-MUJYYYPQSA-N 305.805 3.522 0 30 DHAC CCOC(=O)c1noc(C)c1-c1csc(-c2ccccc2)n1 122401 WNUQKUKQHGJSLK-UHFFFAOYSA-N 314.366 3.950 0 30 DHAC CS(=O)(=O)c1ccc(-c2cccc(Br)c2)cc1 84222837 LLFGPWCFSAFKNW-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC CN1N=C2c3ccccc3CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 13468810 XQJMQZZYRCGLLR-JXFKEZNVSA-N 320.392 3.759 0 30 DHAC COc1ccc([C@H]2CN=N[C@]23CSc2ccccc2C3=O)cc1 4343141 ISWBTKVAZFJCLA-CRAIPNDOSA-N 324.405 3.972 0 30 DHAC CCOC(=O)c1cn2c(-c3ccc(Cl)cc3)csc2n1 9238642 UIFRACWFWQZEMT-UHFFFAOYSA-N 306.774 3.893 0 30 DHAC C[C@H](N[P@](=O)(Cl)Oc1ccccc1)C(=O)OC(C)(C)C 135962829 XAVGOMLTCARSJX-FVINQWEUSA-N 319.725 3.732 0 30 DHAC O=c1nc(Nc2ccc(OC(F)(F)F)cc2)c2ccccc2o1 103434 MCWVNVHDUUGAMS-UHFFFAOYSA-N 322.242 3.830 0 30 DHAC COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(Cl)C[C@@H]12 6482710 QFNJSBBRYZHMAV-CBZIJGRNSA-N 319.832 3.754 0 30 DHAC Fc1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@H]23)cc1 252428110 QGSKFVUMFGVPNT-NFWSPEMXSA-N 302.418 3.713 0 30 DHAC Cc1ccccc1CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 725811965 IRWZAQDOPWZCRG-KRWDZBQOSA-N 318.461 3.826 0 30 DHAC CCOC(=O)c1c(C)noc1-c1csc(-c2ccccc2)n1 1048027 JPIFYFIFAMYUIM-UHFFFAOYSA-N 314.366 3.950 0 30 DHAC O=C(Cc1c(O)c2ccccc2oc1=O)c1cc2ccccc2o1 70286 IXSCZZFUDRRBAJ-UHFFFAOYSA-N 320.300 3.670 0 30 DHAC c1ccc2c(c1)N[C@H](c1ccc3nsnc3c1)c1cccn1-2 158244 ZRWBIPWVJUYASZ-QGZVFWFLSA-N 304.378 3.997 0 30 DHAC COCCOCCN1c2ccccc2Sc2ccccc21 953037862 XWOTZCDVQAKOAY-UHFFFAOYSA-N 301.411 3.952 0 30 DHAC in-vitro CCOC(=O)c1cc(C)nc(Sc2ccc(Cl)cc2)n1 126881 YICUOAACDRLRNS-UHFFFAOYSA-N 308.790 3.766 0 30 DHAC Cc1ccc(SCC(=O)c2ccc(CC(=O)O)s2)cc1 149910 ZMVCRIFYVTXPMQ-UHFFFAOYSA-N 306.408 3.659 0 30 DHAC CC1(C)c2ccccc2-n2c1cc(O)c(-c1ccccc1)c2=O 173828 NRUGYDUILZXRQW-UHFFFAOYSA-N 303.361 3.849 0 30 DHAC O=C(O)c1cc(OC(F)(F)F)c(Br)cc1Cl 98091397 FXGHMQFEQHOELI-UHFFFAOYSA-N 319.460 3.699 0 30 DHAC Cc1ccc(-c2csc(CS(=O)(=O)C(C)(C)C)n2)cc1 113931 VTTDHVQXKJCVNF-UHFFFAOYSA-N 309.456 3.832 0 30 DHAC Cc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccc(F)cc1 153680 XAYLHTUBVXACRM-UHFFFAOYSA-N 313.307 3.711 0 30 DHAC Cn1nc2c3ccccc3n(Cc3ccc(F)cc3)c2nc1=S 12340762 MWEATXCQRHJCON-UHFFFAOYSA-N 324.384 3.840 0 30 DHAC O=C(Nc1cccc(Cl)c1)c1cc(F)cc2c1OCOC2 130132 MKZPTEPCYPWBMI-UHFFFAOYSA-N 307.708 3.598 0 30 DHAC CC(C)(C)OC(=O)n1ncc2c(F)cc(Br)cc21 90548824 BSUSGHUAEATEBZ-UHFFFAOYSA-N 315.142 3.721 0 30 DHAC O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1Cl 247965675 IDICLIGALZTBJB-HOTGVXAUSA-N 315.800 3.640 0 30 DHAC CC(C)(C)OC(=O)n1c(C=O)cc2ccc(Br)cc21 15444574 QRBRXRRYAXTHQR-UHFFFAOYSA-N 324.174 4.000 0 30 DHAC CCCCCC[C@@H](C)N(C)CCOC(=O)c1ccc(N)cc1 1995974 QOLVHWOCGXDRIB-OAHLLOKOSA-N 306.450 3.716 0 30 DHAC CC(=O)c1ccc(OCCCOc2ccc(C(C)=O)cc2)cc1 3068335 YPQDOUIKXGJRCR-UHFFFAOYSA-N 312.365 3.940 0 30 DHAC OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H]1CCCN1 21983372 HOCWWBFODSQMGO-MRXNPFEDSA-N 322.235 3.981 0 30 DHAC C[C@@H]([C@H](O)c1ccc(CCc2ccccc2)cc1)n1ccnc1 27770055 YGQLCGKNFWSRFH-JXFKEZNVSA-N 306.409 3.963 0 30 DHAC COc1cc(C(F)(F)F)c(C(=O)Nc2c(C)cccc2C)cn1 77748 LQGDAVIHHZDLOG-UHFFFAOYSA-N 324.302 3.978 0 30 DHAC CC1(C)S[C@@H](c2ccc(Cl)cc2Cl)N[C@H]1C(=O)O 134504 YRSQTILUDWVTDT-UWVGGRQHSA-N 306.214 3.560 0 30 DHAC C[Si](C)(C)CCOCn1cc(Br)nc1Cl 216715707 FKNAHPMWQIYQCB-UHFFFAOYSA-N 311.683 3.611 0 30 DHAC CCCCCCSc1ncn(CC(=O)c2ccccc2O)n1 38635459 SUEDIJGRWGXHAD-UHFFFAOYSA-N 319.430 3.539 0 30 DHAC CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccccc2)CC1 114080905 GBRZXURGNWSHOT-INIZCTEOSA-N 304.434 3.566 0 30 DHAC CC(C)(C)OC(=O)N1CCCN(CCCc2ccccc2)CC1 95080634 UFVIXGGXLLSTBJ-UHFFFAOYSA-N 318.461 3.562 0 30 DHAC CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(F)cc1 159458 ZDYVODWJRABWDL-PKOBYXMFSA-N 308.356 3.696 0 30 DHAC CCC(=O)Nc1cccc2c1C(=O)c1cccc3snc-2c13 5768219 AMXYNQQEZKMKJU-UHFFFAOYSA-N 308.362 3.856 0 30 DHAC C[S@@](=N)(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 13466347 QKEDFTVVJORXSK-HXUWFJFHSA-N 309.774 3.595 0 30 DHAC CC(=NOC(=O)C1CC1)c1sc(-c2ccccc2)nc1C 254876046 DLAUGWJAFDYGJM-UHFFFAOYSA-N 300.383 3.796 0 30 DHAC CCOC(=O)N1CC[C@@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc13 306121425 GNZVOMHQLAKDAV-SUMDDJOVSA-N 315.413 3.607 0 30 DHAC in-vitro O=C1Nc2cc(Cl)c(Cl)cc2C(=O)[C@]1(F)c1ccccc1 163455 BVQZTGMWOCVHPR-OAHLLOKOSA-N 324.138 3.993 0 30 DHAC CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)ncn2C)n1cccc1 888105110 XJKSBRREAPXPMP-KRWDZBQOSA-N 310.401 3.601 0 30 DHAC Cc1noc2ncnc(SCC(=O)c3ccc(Cl)cc3)c12 124229 BGAMMZQLAZAHIG-UHFFFAOYSA-N 319.773 3.555 0 30 DHAC CCOB1O[C@H](C(C)(C)C)CC(C(F)(F)F)(C(F)(F)F)O1 195760547 WQBJAVALEDDXNF-ZETCQYMHSA-N 322.054 3.723 0 30 DHAC CCCOc1ccccc1NC(=O)OCCN1CCCCC1 2002614 XRKADMSNWXECAK-UHFFFAOYSA-N 306.406 3.510 0 30 DHAC CC(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)C=C2 14616768 XRHPXNGPQXCQNJ-UHFFFAOYSA-N 300.354 3.963 0 30 DHAC biogenic CC(C)(C)C1CCN(C(=O)c2cccc3nsnc23)CC1 12366662 NJEPADJDJXIGAN-UHFFFAOYSA-N 303.431 3.590 0 30 DHAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NCc1ccsc1 98210300 HFYUUBGLZRLVKQ-AWEZNQCLSA-N 322.474 3.627 0 30 DHAC Cc1ccc(SCc2noc(-c3c(C)noc3C)n2)cc1 106298 RYRLZHWDZPRKIV-UHFFFAOYSA-N 301.371 3.942 0 30 DHAC CCCc1c2c(cc3c(=O)cc(C(=O)OCC)oc13)CCCC2 132984 XDVPRNCVGOQUIZ-UHFFFAOYSA-N 314.381 3.801 0 30 DHAC O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(Nc2ccccc2)CC1 1688492 WDHJFGYRFWYQFS-UXHICEINSA-N 320.436 3.893 0 30 DHAC CC(C)(C)OC(=O)[C@@H]1CCNc2ccc(Br)cc21 536948649 KNSSXPAAXKJIFJ-SNVBAGLBSA-N 312.207 3.690 0 30 DHAC Cc1nnsc1-c1nnc(-c2ccccc2C(F)(F)F)o1 155698 YDTRPABYDIWSLR-UHFFFAOYSA-N 312.276 3.582 0 30 DHAC FC(F)(F)c1cccc(-n2c(S)nnc2-c2ccco2)c1 172116 CMPIGKOOLIWDGX-UHFFFAOYSA-N 311.288 3.835 0 30 DHAC COc1cc(C(=O)O)c(Br)c(-c2ccccc2)c1 85471942 KQXFVNQPXLOMNB-UHFFFAOYSA-N 307.143 3.823 0 30 DHAC COc1c(I)cc(Cl)c2cccnc12 171207 YODYZPGSHFTXFY-UHFFFAOYSA-N 319.529 3.501 0 30 DHAC Clc1nssc1=Nc1ccc(Br)cc1 254615830 LJAVWPXZZIDCAS-UHFFFAOYSA-N 307.625 3.853 0 30 DHAC CS[C@H]1C(=O)Nc2c(F)cc(OCc3ccccc3)cc21 1565503699 BJQCMNCETANTFT-OAHLLOKOSA-N 303.358 3.761 0 30 DHAC COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(C)=O)cc1 159476 PPHONOZCKMNSAN-AZUAARDMSA-N 320.392 3.565 0 30 DHAC CCOC(=O)c1c(C)nn(-c2ccc(C(F)(F)F)cc2)c1C 109939 NFDAZKRBKHLWEH-UHFFFAOYSA-N 312.291 3.685 0 30 DHAC O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2 168868 SDRUOUIXFXYLNL-UHFFFAOYSA-N 307.271 3.893 0 30 DHAC COc1ccc(/C(=C\c2ccc(Cl)cc2)C(=O)O)cc1OC 4698107 QSJJBKSZDQTKDZ-NTEUORMPSA-N 318.756 3.982 0 30 DHAC Clc1nc(Cl)nc(-c2cccn2Cc2ccccc2)n1 22116500 MCHWEIQXYXLNES-UHFFFAOYSA-N 305.168 3.695 0 30 DHAC CC(=NOC(=O)C1CC1)c1cc(-c2ccc(Cl)cc2)no1 254856608 SYQJJQKLTVXVLC-UHFFFAOYSA-N 304.733 3.672 0 30 DHAC O=C(NCc1cccnc1)c1ccc(-c2cccs2)s1 155543 CPLHFCDHHAUWFF-UHFFFAOYSA-N 300.408 3.802 0 30 DHAC O=C(O)c1cccc2c1Sc1c(cccc1C(=O)O)S2 5784872 WKUMLCTUNDLANJ-UHFFFAOYSA-N 304.348 3.699 0 30 DHAC NCc1c(Br)cc(C(F)(F)F)cc1C(F)(F)F 514264507 PIVZMRYOOIJYAU-UHFFFAOYSA-N 322.046 3.945 0 30 DHAC FC(F)(F)c1cc(-c2nccs2)nc2cc(C3CC3)nn12 171355 OIPZBVHEMZXGJP-UHFFFAOYSA-N 310.304 3.749 0 30 DHAC O=C(C1=NNC[C@H]1c1ccccc1)c1ccc2ccccc2c1 4343152 LVHWHBDDDFILQZ-SFHVURJKSA-N 300.361 3.766 0 30 DHAC O=C(c1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1 123977 FAPVYXYRWRUQSL-UHFFFAOYSA-N 315.332 3.894 0 30 DHAC COc1ccc(OC)c(CCCc2cc(OC)ccc2OC)c1 136036 ZKJZRGOPDVVOSR-UHFFFAOYSA-N 316.397 3.896 0 30 DHAC CCOC(=O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12 35567224 JNQJQQIBOONACK-UHFFFAOYSA-N 314.772 3.915 0 30 DHAC COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)csc1C 82670 HVMVSFFRLZPOSD-UHFFFAOYSA-N 309.774 3.749 0 30 DHAC CCOC(=O)c1cc(C)nn1Cc1c(Cl)cccc1Cl 127793 UMPBHRQWHDFNIU-UHFFFAOYSA-N 313.184 3.723 0 30 DHAC CC(C)(C)OC(=O)N1CCC(OCc2ccc(F)cc2)CC1 88315520 PECOFGGANJCPPQ-UHFFFAOYSA-N 309.381 3.742 0 30 DHAC COC(=O)c1ccccc1NCC[C@H](C)CCCC(C)(C)O 33637436 YLWASZIQQSARJP-CQSZACIVSA-N 307.434 3.853 0 30 DHAC CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nccs1 36430966 XKQIMMSGBAFRMN-ZDUSSCGKSA-N 304.415 3.952 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2)CC1 72232794 JHPGUEHWMMKOAW-INIZCTEOSA-N 304.434 3.566 0 30 DHAC CCOC(=O)[C@H]1CCCc2c1[nH]c1ccc(OC(F)F)cc21 90470803 HRNXWTWMHYIKIZ-NSHDSACASA-N 309.312 3.752 0 30 DHAC CCOC(=O)c1cc2cc(Cl)cc(Br)c2[nH]1 143786103 VABKCLOAFMABBV-UHFFFAOYSA-N 302.555 3.761 0 30 DHAC CC(C)(C)OC(=O)N1CC2(CCCC2)c2cc(C(=O)O)ccc21 394506573 HDEDXVDMANDDLS-UHFFFAOYSA-N 317.385 3.952 0 30 DHAC O=S(=O)(CCSc1ccccc1)c1ccc(Cl)cc1 165205 QKLSMLGIPAZWRI-UHFFFAOYSA-N 312.843 3.906 0 30 DHAC O=C(CSc1nnc(Cc2ccsc2)o1)c1ccccc1 121137 DEJORBRQZIXKQM-UHFFFAOYSA-N 316.407 3.697 0 30 DHAC CCCCC[C@@H](C)NC(C)(C)COC(=O)c1ccc(N)cc1 1855236 RZXLPSKIAIHVHE-CQSZACIVSA-N 306.450 3.763 0 30 DHAC Cc1c(C)c(C)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)c1C 18178975 SZEVHOOVUOAFRQ-TXEJJXNPSA-N 323.502 3.895 0 30 DHAC Fc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3 29486404 RZXHTPCHKSYGIB-UHFFFAOYSA-N 309.388 3.693 0 30 DHAC in-man CC(=NOc1ncc(C(F)(F)F)cc1Cl)c1ccccn1 254746969 NMTRPPFMYZQPOH-UHFFFAOYSA-N 315.682 3.952 0 30 DHAC c1ccc(-c2nc(-c3ccc(-c4csnn4)cc3)no2)cc1 106768 RQWPIQAZEANMKG-UHFFFAOYSA-N 306.350 3.922 0 30 DHAC O=C(CSc1ncccc1C(=O)O)c1cc2ccccc2o1 146067 QZJYZYPWLAVWGA-UHFFFAOYSA-N 313.334 3.501 0 30 DHAC CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 140509283 DBXQAPGFWYIOGN-YVWKXTFCSA-N 310.393 3.957 0 30 DHAC C[C@H](O)c1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc12 22053787 NSCGUYORSXNXSZ-HZMBPMFUSA-N 303.358 3.778 0 30 DHAC in-vitro CC(C)(C)OC(=O)N1CCCc2nc(Br)ccc21 845988387 ZSFOXZDVNRVJPJ-UHFFFAOYSA-N 313.195 3.532 0 30 DHAC COc1cc(C2SCCS2)cc(Br)c1O 91643 XAQVPGYJYNEPRG-UHFFFAOYSA-N 307.234 3.642 0 30 DHAC CSc1cccc(NC(=O)C(=S)NC2CCCCC2)c1 172891 GAOMUURXBLVYKI-UHFFFAOYSA-N 308.472 3.597 0 30 DHAC COC(=O)Cc1nc(-c2ccc(-c3ccno3)s2)sc1C 12340424 JIYKKFTYWMLPAW-UHFFFAOYSA-N 320.395 3.551 0 30 DHAC COC(=O)c1ccc(-c2cn3cccc(C(F)(F)F)c3n2)cc1 39325733 LJMIPKSOFYTSOW-UHFFFAOYSA-N 320.270 3.807 0 30 DHAC Cc1cc2n(CC=Cc3ccccc3)c(=O)c3ccccc3n2n1 2265279282 CQNYPEFEDLYAEE-UHFFFAOYSA-N 315.376 3.671 0 30 DHAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CCC2=C[C@@H](O)CC[C@@]21C 2265351301 CIMYLRGLQBRTJM-JHQBWLJPSA-N 318.457 3.852 0 30 DHAC Nc1ncnc2scc(-c3ccccc3Br)c12 299803531 WKSIHXOKVHFFSY-UHFFFAOYSA-N 306.188 3.703 0 30 DHAC O=C(NCc1ccccc1Cl)c1cnccc1C(F)(F)F 77397 RSTBIOWXLDBBJA-UHFFFAOYSA-N 314.694 3.684 0 30 DHAC CN(C)C(=O)Sc1nnc(C2CC2)n1-c1ccc(Cl)cc1 89446 RFGGJRCSCIFNRW-UHFFFAOYSA-N 322.821 3.572 0 30 DHAC CC1(C)[C@@H](/C=C2\CCSC2=O)[C@H]1C(=O)OCc1ccccc1 96347055 PBWHIWMXQJJPNX-CMOQBRTCSA-N 316.422 3.592 0 30 DHAC CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 35565049 HUXGLBKCRYRMDA-INIZCTEOSA-N 304.434 3.518 0 30 DHAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@H]2CCC2=C[C@@H](O)CC[C@]21C 2265351302 CIMYLRGLQBRTJM-MQOFPFBISA-N 318.457 3.852 0 30 DHAC COc1ccc(-c2cc(C(=O)O)c3ccc(C)cc3n2)cc1OC 160847 WFWIRSOQMRVDET-UHFFFAOYSA-N 323.348 3.926 0 30 DHAC CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12 34019968 LJJCJCRHRJRSIY-XLXYOEISSA-N 318.457 3.504 0 30 DHAC COc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 70636 OHBZXBNHGAAVHG-OQLLNIDSSA-N 313.740 3.693 0 30 DHAC O=C(Cc1cc(F)cc(F)c1)n1nccc1-c1cccs1 112794 NWZQAKPCBOJJMA-UHFFFAOYSA-N 304.321 3.773 0 30 DHAC Cc1ccc(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1 120505 MLWGOOFGWJVWGR-UHFFFAOYSA-N 314.328 3.988 0 30 DHAC CCOC(=O)c1c(C)cc(OCc2ccccc2)c(C)c1O 2265356037 RFXRBIVQXSWZLV-UHFFFAOYSA-N 300.354 3.765 0 30 DHAC O=C(CC(=O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl 101814999 QEYAFEOYCBWCGL-UHFFFAOYSA-N 303.038 3.837 0 30 DHAC FC(F)(F)c1ccc(SCc2ccc3nonc3c2)nc1 168937 GKKABFANDGEGSO-UHFFFAOYSA-N 311.288 3.929 0 30 DHAC O=C1c2ccccc2N(Cc2ccccc2)C(=O)C1(Cl)Cl 87785 FJFHQCFNBFZDQO-UHFFFAOYSA-N 320.175 3.590 0 30 DHAC CC(C)N1C[C@@H](COc2ccc(Cl)cc2Cl)OC1=O 74110 HVIUHXWNUMOMNG-JTQLQIEISA-N 304.173 3.601 0 30 DHAC O=C(NCc1ccccc1)c1cccc2c1C(=O)c1ccccc1-2 1042011 URRZQRHOIVSTHH-UHFFFAOYSA-N 313.356 3.828 0 30 DHAC COc1ccc2c(c1O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 12493716 QREWTGIWXABZAC-KUPRSHKKSA-N 302.414 3.618 0 30 DHAC in-vitro O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1ccccc1 741349993 GLPFWYPHHIUZQG-LJQANCHMSA-N 309.409 3.785 0 30 DHAC Fc1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)cc1 197181371 QGSKFVUMFGVPNT-QPHLWMPCSA-N 302.418 3.713 0 30 DHAC CC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 154380 VFAHXMPOWNZAPA-UHFFFAOYSA-N 309.394 3.615 0 30 DHAC Cc1nn(C)c(C)c1CNC(=O)Nc1csc2ccccc12 159409 WFZPGUUTCBHGNJ-UHFFFAOYSA-N 314.414 3.573 0 30 DHAC Cc1cnc(NC(=O)c2cc(Cl)sc2Cl)c(C)n1 147189 PNMHQRYFOXSAMF-UHFFFAOYSA-N 302.186 3.714 0 30 DHAC CCn1c(S)nnc1-c1cc(-c2ccccc2)sc1N 13658529 CRLHQUMKMCJTHC-UHFFFAOYSA-N 302.428 3.564 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)N(Cl)C[C@@]43C)[C@@H]1CC[C@H]2O 2265351294 BUSKSASJRZQMEF-GQBYMUMSSA-N 323.864 3.512 0 30 DHAC CC(C)(C)OC(=O)N[C@@H](CN)c1cccc(Cl)c1Cl 113415223 YUKKHANGUKIABG-JTQLQIEISA-N 305.205 3.518 0 30 DHAC CCOC(=O)c1cc2ccc(Cl)c(C)c2nc1C(=O)OCC 32099618 GZANXTSAZHXIFT-UHFFFAOYSA-N 321.760 3.550 0 30 DHAC Cn1nc2c3ccccc3n(Cc3ccccc3)c2nc1=S 159717 HFWRGWATYQFQHZ-UHFFFAOYSA-N 306.394 3.701 0 30 DHAC COc1ccc(C(=O)CC=NOCc2cnc(Cl)s2)cc1 254438667 CFMIQRVZQXVUSL-UHFFFAOYSA-N 324.789 3.581 0 30 DHAC Cc1ccc([C@H](O)COC2=NCNc3cc(Cl)ccc32)cc1 155215 NAFDYDJWCWYNBJ-MRXNPFEDSA-N 316.788 3.528 0 30 DHAC COc1ccc2c(c1)CC[C@H]1C2=NN(C)[C@H]1c1ccc(F)cc1 248018135 GZZDATZATMQJKR-HKUYNNGSSA-N 310.372 3.788 0 30 DHAC Cc1noc(C)c1C(=O)Sc1ccc(C(F)(F)F)cn1 123624 OLBUBRFPRLGJHJ-UHFFFAOYSA-N 302.277 3.638 0 30 DHAC O=C(Nc1ccc(-c2csnn2)cc1)C(Cl)(Cl)Cl 106324 OBNMYINJKKQQOH-UHFFFAOYSA-N 322.604 3.514 0 30 DHAC CCSc1ncc(Br)cc1C(=O)OC(C)(C)C 725328064 SLWLNECIFJDBCR-UHFFFAOYSA-N 318.236 3.911 0 30 DHAC O=C(C1=NNC[C@H]1c1cccc2ccccc12)c1ccccc1 85973 VYKHORONHATJQK-SFHVURJKSA-N 300.361 3.766 0 30 DHAC Nc1ncnc2scc(-c3ccc(Br)cc3)c12 20321007 ANPVQEBIHDEBFX-UHFFFAOYSA-N 306.188 3.703 0 30 DHAC CCN(CC)CC[C@@]1(c2ccccc2)C(=O)Oc2ccccc21 6720796 HPITVGRITATAFY-FQEVSTJZSA-N 309.409 3.624 0 30 DHAC in-man N[C@@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2 173919 PXQCFNWBPKTEEW-HNNXBMFYSA-N 303.789 3.744 0 30 DHAC CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 21983332 HUXGLBKCRYRMDA-MRXNPFEDSA-N 304.434 3.518 0 30 DHAC COc1ccc(CNC(=O)Nc2ccccc2SC)cc1 171333 UIININRHLYLZPK-UHFFFAOYSA-N 302.399 3.739 0 30 DHAC CCCCC[C@H](C)NC(C)(C)COC(=O)c1ccc(N)cc1 1855240 RZXLPSKIAIHVHE-AWEZNQCLSA-N 306.450 3.763 0 30 DHAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@H]2CCC2=C[C@@H](O)CC[C@@]21C 2265351300 CIMYLRGLQBRTJM-INCXTXFYSA-N 318.457 3.852 0 30 DHAC CC[C@H](C)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 100224 HOONASVMRFDEDQ-ZDUSSCGKSA-N 308.381 3.866 0 30 DHAC COc1cc(Br)cc(C=Nc2ccccc2)c1O 254517495 ATCUYZPXIHPUEG-UHFFFAOYSA-N 306.159 3.914 0 30 DHAC Cc1cccc(N(C)C(=O)c2cnccc2C(F)(F)F)c1C 77762 UBBIXXYUMMTKJA-UHFFFAOYSA-N 308.303 3.994 0 30 DHAC COC(=O)c1sccc1NC(=S)Nc1ccc(C)cc1 13658043 CEYNXQHHKCWBNA-UHFFFAOYSA-N 306.412 3.652 0 30 DHAC CC(=O)c1cc(C(=O)CC(C)C)c(O)c([C@@H](O)C=C(C)C)c1 14656342 BQPCSMCCVBBMJR-INIZCTEOSA-N 304.386 3.823 0 30 DHAC biogenic CCOC(=O)c1sc(N)nc1-c1ccc(C(C)(C)C)cc1 111853539 WLEMGXZWCHCHML-UHFFFAOYSA-N 304.415 3.867 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@@H](F)C[C@@]43C)[C@H]1CC[C@@H]2O 90647889 QRNFMYYNRYGOQD-PEMPUTJUSA-N 306.421 3.827 0 30 DHAC FC(F)(F)c1cnc(NN=Cc2cccnc2)c(Cl)c1 254513874 HKPZQWVTGKQPDJ-UHFFFAOYSA-N 300.671 3.595 0 30 DHAC CC(=O)N(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1 2010350 PFBOXUSIVQIJBC-UHFFFAOYSA-N 306.365 3.987 0 30 DHAC O=C(c1ccc(Br)c(Cl)c1F)C(F)(F)F 236135587 YHJAXGCGUHHHOJ-UHFFFAOYSA-N 305.452 3.987 0 30 DHAC CCOc1ccc(CNc2ccc(Br)cn2)cc1 15042819 SDQPBUJGHFETFV-UHFFFAOYSA-N 307.191 3.855 0 30 DHAC CC(C)(C)OC(=O)N1CCCCC12CN(Cc1ccccc1)C2 306890501 YYHPTBBNYADWME-UHFFFAOYSA-N 316.445 3.662 0 30 DHAC Cc1ccc(Cn2ccc(O)c(CC=Cc3ccccc3)c2=O)o1 2265270061 INKVUWIIWTVCTA-UHFFFAOYSA-N 321.376 3.760 0 30 DHAC C1=Cc2ccccc2N(CCCN2CCNCC2)c2ccccc21 220905782 KDUIIIUHZIHOHE-UHFFFAOYSA-N 319.452 3.604 0 30 DHAC CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 43861815 PPZIGCVMYZRQPN-UHFFFAOYSA-N 304.434 3.518 0 30 DHAC CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1 172594 NWXPPEZYAMLJBW-UHFFFAOYSA-N 306.369 3.945 0 30 DHAC COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(C)=O)cc1 4335041 PPHONOZCKMNSAN-QUCCMNQESA-N 320.392 3.565 0 30 DHAC Cc1cccc(C)c1N(C(=O)Cc1ccccc1)[C@H](C)CN(C)C 2017418 NMNDTUMXUMJCBG-GOSISDBHSA-N 324.468 3.829 0 30 DHAC Cc1ccc(C2CC2)c(C(=O)NCc2ccc([C@@H](C)N)cc2)c1 424072985 DSITTZOTBFTJPV-CQSZACIVSA-N 308.425 3.822 0 30 DHAC CCOC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 103747 JHUYRIHITMDDSR-UHFFFAOYSA-N 315.213 3.699 0 30 DHAC Cc1cc(-c2onc(C)c2C(=O)Nc2cccc(Cl)c2)no1 4394512 FRWKNNYNBDMCDA-UHFFFAOYSA-N 317.732 3.852 0 30 DHAC C[C@H]1CC(=O)c2sc(NC(=O)C=Cc3ccccc3)nc2C1 2265279723 BECDVWHGKFPJNO-LLVKDONJSA-N 312.394 3.560 0 30 DHAC C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1cccc(Cl)c1 67081 JLOPWCVVRHEVAL-NSHDSACASA-N 314.772 3.718 0 30 DHAC Cc1ccsc1CNC(=O)c1c(-c2ccccc2)noc1C 148054 DQVOURGSEIYTCB-UHFFFAOYSA-N 312.394 3.950 0 30 DHAC CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(F)cc1 4335036 ZDYVODWJRABWDL-IEBWSBKVSA-N 308.356 3.696 0 30 DHAC CCCCN(C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 3138239 XBXBPKFWPRMZBI-MRXNPFEDSA-N 310.441 3.887 0 30 DHAC CCCCNC(=O)c1cc(OCCCC)n(-c2ccccc2)n1 33825078 XEGGIQBCXBHPIQ-UHFFFAOYSA-N 315.417 3.581 0 30 DHAC Cc1cccnc1NC(=O)NC(=O)c1ccc(C(C)(C)C)s1 171710 HFIACPXIPHUPSL-UHFFFAOYSA-N 317.414 3.711 0 30 DHAC Cc1csc2nc(-c3ccccc3Br)c(C=O)n12 40439266 BVCWIXYSFIKTQB-UHFFFAOYSA-N 321.199 3.946 0 30 DHAC CC[C@@H](C)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 100221 HOONASVMRFDEDQ-CYBMUJFWSA-N 308.381 3.866 0 30 DHAC O=S(=O)(NCc1csc2ccccc12)c1ccc(F)cc1 4371480 DBVAQMADMJVGRS-UHFFFAOYSA-N 321.398 3.519 0 30 DHAC Cc1nc(Br)sc1N(C)C(=O)OC(C)(C)C 113496054 ISORWAKWUMQFPW-UHFFFAOYSA-N 307.213 3.585 0 30 DHAC Clc1cccc(Cl)c1NC1=NCCN1[C@H]1CCCCO1 33637030 OVDYQESYGJDCSB-GFCCVEGCSA-N 314.216 3.604 0 30 DHAC Cc1nn(-c2ccccc2)c2oc(=O)cc(-c3ccccc3)c12 91571 PCKPUWXZDWJNMI-UHFFFAOYSA-N 302.333 3.954 0 30 DHAC CCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21 40249517 ZYMDWYLKXBFOQD-UHFFFAOYSA-N 314.772 3.920 0 30 DHAC COC(=O)c1cccc(NC(=S)Nc2ccccc2Cl)c1 13658010 GNMUXSGQZZCZRQ-UHFFFAOYSA-N 320.801 3.936 0 30 DHAC CS(=O)(=O)N(Cl)c1cc(Cl)c(Cl)cc1Cl 33985955 BCUZNCIUNPEYQO-UHFFFAOYSA-N 309.001 3.567 0 30 DHAC C[C@H]1S[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O 101469 IXDRVFHZVJDSQV-BMIGLBTASA-N 304.802 3.902 0 30 DHAC CCC[Sn](CCC)(CCC)OC(C)=O 195997675 LSBFRYCHYLHPSU-UHFFFAOYSA-M 307.022 3.725 0 30 DHAC CSc1ccc(C(=O)c2cccc([C@H](C)C(=O)O)c2)cc1 33637790 UFDXUEHTMZBRTA-NSHDSACASA-N 300.379 3.828 0 30 DHAC C[C@H](c1ccccc1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 142042334 SCBZIRLPWKMXGG-HYVNUMGLSA-N 316.445 3.689 0 30 DHAC Nc1cccc2c(Br)cc(Br)cc12 642880644 GOUNBESACMTHSP-UHFFFAOYSA-N 300.981 3.947 0 30 DHAC CC1(C)S[C@@H](c2ccc(Cl)cc2Cl)N[C@@H]1C(=O)O 134501 YRSQTILUDWVTDT-ZJUUUORDSA-N 306.214 3.560 0 30 DHAC O=C(NCCSCc1ccco1)Nc1ccc(F)cc1F 4364719 NMKNTPASFGMYJB-UHFFFAOYSA-N 312.341 3.613 0 30 DHAC O=C(O)c1nc(-c2ccccc2C(F)(F)F)c2ccccn12 536960374 ZZRRYCWLTIPIGF-UHFFFAOYSA-N 306.243 3.718 0 30 DHAC CSc1nc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1 164492 OZAYOSHJLZGGRO-UHFFFAOYSA-N 309.609 3.532 0 30 DHAC C/[S@](=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 136341 GWHNOWFXNJODPS-GOSISDBHSA-N 313.831 3.520 0 30 DHAC O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1 121492 LAVGRHLTJRVVAZ-UHFFFAOYSA-N 312.316 3.831 0 30 DHAC CC[C@]1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2003283 GCWIEWHVHGXXHE-CQSZACIVSA-N 317.168 3.612 0 30 DHAC Brc1ccccc1C1=N[C@@H](c2ccccc2)CO1 38600170 VHKCPSPWIFJAKI-CQSZACIVSA-N 302.171 3.967 0 30 DHAC CC1(C)CC(=O)C(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 100488937 YQEWWWGIXNSFGR-WUKNDPDISA-N 323.736 3.659 0 30 DHAC CC(=NOCc1ccc(Br)cc1)c1ccccn1 254750687 PBNSAAZNKRYIIS-UHFFFAOYSA-N 305.175 3.785 0 30 DHAC O=C1Nc2c(ccc(Cl)c2Cl)C(=O)[C@@]1(F)c1ccccc1 134391 HEGQCRYRRSFCJW-HNNXBMFYSA-N 324.138 3.993 0 30 DHAC O=C(Nc1ccc2cn[nH]c2c1)c1cc2ccccc2cc1O 33608292 JNDPAMPDNGVEPY-UHFFFAOYSA-N 303.321 3.674 0 30 DHAC O=C(Nc1ccccc1)Nc1ccc(Oc2cccnc2)nc1 92719 UFEOROKVNHISKV-UHFFFAOYSA-N 306.325 3.913 0 30 DHAC FC(F)(F)c1ccc(-c2nnc(S)n2-c2cccnc2)cc1 158380 LUXZCUDKXBXQOY-UHFFFAOYSA-N 322.315 3.637 0 30 DHAC CSc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1 170664 HQSJEGURFIVSLX-UHFFFAOYSA-N 309.394 3.847 0 30 DHAC Brc1ccc(-c2cnc([C@H]3CCCN3)s2)cc1 117849634 GIVDXXJKNWDIRD-LLVKDONJSA-N 309.232 3.997 0 30 DHAC COc1ccc(Br)c(C(=O)Nc2ccc(F)cc2)c1 75288 LVOGUWDPFMTDPP-UHFFFAOYSA-N 324.149 3.849 0 30 DHAC C[C@@H](O)c1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc12 22053792 NSCGUYORSXNXSZ-QMTHXVAHSA-N 303.358 3.778 0 30 DHAC in-vitro O=C(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)cc1 95935494 XSJZQHVJMJGGAF-GOSISDBHSA-N 309.409 3.829 0 30 DHAC Cn1ccsc1=NC(=S)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 254310166 RRMXBPATGWUQPV-CBAPKCEASA-N 321.298 3.906 0 30 DHAC COc1cc([C@@H]2Nc3cc(Cl)ccc3O2)cc(OC)c1OC 144675 LGPQHYDWBIMTHO-MRXNPFEDSA-N 321.760 3.869 0 30 DHAC Cc1nnsc1C(=O)Nc1ccccc1Oc1ccccc1 154123 KRYGPANOZOUCTQ-UHFFFAOYSA-N 311.366 3.891 0 30 DHAC CC(C)(C)OC(=O)[C@H]1CCNc2ccc(Br)cc21 536948640 KNSSXPAAXKJIFJ-JTQLQIEISA-N 312.207 3.690 0 30 DHAC CC(C)(C)OC(=O)N1CC=C(c2ccc(C(=O)O)c(F)c2)CC1 584646091 KAKOSLAMBFDEJJ-UHFFFAOYSA-N 321.348 3.548 0 30 DHAC O[C@H](CNCc1ccc(Cl)cc1)CSc1ccccc1 74164 DUIDJNSSJNRUHB-OAHLLOKOSA-N 307.846 3.583 0 30 DHAC Cc1nnc2n1N=C(c1ccc(CC(C)C)cc1)[C@H](C)S2 81459 NQJJTFZGHJXEJH-NSHDSACASA-N 300.431 3.532 0 30 DHAC C[C@H](O)c1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc12 22053797 NSCGUYORSXNXSZ-IINYFYTJSA-N 303.358 3.778 0 30 DHAC in-vitro O=C(NCc1ccc(Br)cc1)OCc1ccccc1 95761475 OKCHZXGMHUPTNU-UHFFFAOYSA-N 320.186 3.876 0 30 DHAC CC(C)(CC(=O)O)CC(=O)Nc1ccccc1N1CCCCC1 117890 ZRWHJXWOTJWLCY-UHFFFAOYSA-N 318.417 3.506 0 30 DHAC Cc1ccc(CSc2nnc(-c3cnccn3)s2)cc1 127602 VRRGUZCZWGSLBO-UHFFFAOYSA-N 300.412 3.596 0 30 DHAC COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(OC)c1 1841103 BAROIKGEGXXQJO-UHFFFAOYSA-N 323.348 3.815 0 30 DHAC O=S1(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccccc21 169874 QIZPHRDUJPGYIB-CYBMUJFWSA-N 310.827 3.961 0 30 DHAC CC(C)n1nnc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 171426 ALIVCGSXFGJGSO-UHFFFAOYSA-N 314.776 3.918 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2)CC1 72232795 JHPGUEHWMMKOAW-MRXNPFEDSA-N 304.434 3.566 0 30 DHAC COCOc1c(C(C)=O)cc(Br)cc1C(C)(C)C 2265385064 VIYDPRZAXXJBSQ-UHFFFAOYSA-N 315.207 3.932 0 30 DHAC NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 36244654 FGYCPYGIVKGUDF-UHFFFAOYSA-N 309.266 3.618 0 30 DHAC CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccc(C)cc3n2)cc1 99166 BFULJIYHWJLHDO-UHFFFAOYSA-N 320.348 3.867 0 30 DHAC CC(C)c1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2)cc1 71658984 UZOMWIBYDSDHDC-MRXNPFEDSA-N 304.434 3.691 0 30 DHAC C[C@H](c1ccccc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 98087502 SCBZIRLPWKMXGG-OIISXLGYSA-N 316.445 3.689 0 30 DHAC CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(F)cc2)CC1 730570794 CISMUTUIBNEMFS-UHFFFAOYSA-N 322.424 3.657 0 30 DHAC Cc1nn(-c2ccccc2)c(C)c1-c1nnc(C(F)(F)F)o1 110029 KEAOUKVZYUICHD-UHFFFAOYSA-N 308.263 3.558 0 30 DHAC CCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 19367444 WXNVFYIBELASJW-QUCCMNQESA-N 311.473 3.809 0 30 DHAC in-man Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc(C)cn3)n2)nc1 2524961 ONKZNQJYOBPKCW-UHFFFAOYSA-N 305.337 3.521 0 30 DHAC CCC(=O)c1ccc(OCCN[C@@H](C)Cc2ccccc2)cc1 33506227 FGJHEOOYCPIULG-INIZCTEOSA-N 311.425 3.879 0 30 DHAC O=CC(=NNc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 254492716 IWUYMSRTEKNUKS-UHFFFAOYSA-N 320.270 3.555 0 30 DHAC O=C1CS[C@@H](c2ccccn2)N1c1ccc(C(F)(F)F)cc1 102023 NOAJKCWURNZYAQ-AWEZNQCLSA-N 324.327 3.879 0 30 DHAC CS(=O)(=O)c1cccc(-c2cccc(Br)c2)c1 95616859 IWFPIYKHEICMSI-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC Cc1ccc(NC(=O)OCc2ccccc2)cc1NC(=O)O 223651886 BJBJGRJEDSPSNQ-UHFFFAOYSA-N 300.314 3.834 0 30 DHAC FC(F)(F)c1cnc(NN=Cc2ccccn2)c(Cl)c1 254696527 SDLQFHSHFKLHJP-UHFFFAOYSA-N 300.671 3.595 0 30 DHAC O=C(OC1CCCC1)c1ccccc1C(=O)OC1CCCC1 6095216 VJRYKEVCESIEGM-UHFFFAOYSA-N 302.370 3.885 0 30 DHAC COc1ccc(-c2cc(-c3cccc(CC(=O)O)c3)no2)cc1 223679889 LDWARXYVBQGNRJ-UHFFFAOYSA-N 309.321 3.644 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)N(Cl)C[C@@]43C)[C@@H]1CC[C@@H]2O 2265351293 BUSKSASJRZQMEF-DAQSZBFJSA-N 323.864 3.512 0 30 DHAC Cc1noc(C)c1NC(=O)NCc1cc2ccccc2s1 1034920 JIRDETTWQZGIMJ-UHFFFAOYSA-N 301.371 3.828 0 30 DHAC CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N 95616848 VVWWFMBREGMWGP-UHFFFAOYSA-N 301.230 3.534 0 30 DHAC Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 10037 JIXIGSQBNJKHBP-UHFFFAOYSA-N 317.392 3.739 0 30 DHAC COC(OC)c1ccnc(SCc2ccccc2Cl)n1 123373 SOLPVNBNYVMXOI-UHFFFAOYSA-N 310.806 3.714 0 30 DHAC CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2 149196694 WISMGLVUGGOMFD-UHFFFAOYSA-N 316.401 3.581 0 30 DHAC N[C@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2 173921 PXQCFNWBPKTEEW-OAHLLOKOSA-N 303.789 3.744 0 30 DHAC O=C(O)C[C@](O)(c1ccc(-c2ccccc2)cc1)c1ccco1 33865940 BAHQNJTUXOYSSF-IBGZPJMESA-N 308.333 3.657 0 30 DHAC CC[C@H](C(=O)OCCCN1CCCC[C@@H]1C)c1ccccc1 5651168 GMKRJJQRDLKNHL-WMZOPIPTSA-N 303.446 3.988 0 30 DHAC C[C@@H]1CCc2c(Br)cc(Br)c(O)c2N1 205497674 GXXSPDXYAPQZST-RXMQYKEDSA-N 321.012 3.664 0 30 DHAC COc1ccc2c(c1)CC[C@@H]1C2=NN(C)[C@@H]1c1ccc(F)cc1 4377779 GZZDATZATMQJKR-IEBWSBKVSA-N 310.372 3.788 0 30 DHAC C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21C 5764539 CACLDHHVRLSJEY-ONWYLSRGSA-N 313.441 3.754 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@H](CCCC2CCNCC2)C1 1535989275 IFKZWJBNPFMQQS-INIZCTEOSA-N 310.482 3.803 0 30 DHAC CCCOc1ccc([C@H](C)NC(=O)CCN2CCCCC2)cc1 33884211 GPKAWICQXOSCLM-INIZCTEOSA-N 318.461 3.529 0 30 DHAC O=C(NCc1cc2c(cc1O)CCCC2)OCc1ccccc1 59687705 VNLVJKNNOVRHPD-UHFFFAOYSA-N 311.381 3.697 0 30 DHAC C[C@@H](C(=O)O)[C@](C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 146083214 YVWIRDHPNGRLMV-VOJFVSQTSA-N 316.328 3.556 0 30 DHAC in-vitro COCCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 4322842 QCKALPVHAZGOCK-UHFFFAOYSA-N 305.761 3.618 0 30 DHAC O=C(CN1CCCCC1)Nc1ccccc1Oc1ccccc1 153401 IFOPSBBKUCWPSA-UHFFFAOYSA-N 310.397 3.903 0 30 DHAC CCOC(=O)c1ncn(-c2ccccc2)c1Nc1ccccc1 22000814 LJLPTZGVDGZBFB-UHFFFAOYSA-N 307.353 3.793 0 30 DHAC CN(C(=O)OC1CCC(NCc2ccccc2)CC1)C(C)(C)C 584906741 IJLPCGYCLPHPFO-UHFFFAOYSA-N 318.461 3.954 0 30 DHAC O=c1oc2ccc(Br)cc2cc1-c1ccncc1 13208902 GGVUGCIQDIGPSB-UHFFFAOYSA-N 302.127 3.618 0 30 DHAC CCOc1ccccc1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1C 100346323 LOLWANDOFSMIGV-NHKNDPDJSA-N 322.368 3.960 0 30 DHAC O=C(NCc1ccc2c(c1)CCO2)c1ccc(Cl)c(Cl)c1 4390816 GDOCCUHQRFWISC-UHFFFAOYSA-N 322.191 3.858 0 30 DHAC CC(C)(C)C(=O)CSc1nc(N)c(C(=O)C(C)(C)C)s1 140678 LRADFDIDDJRSMP-UHFFFAOYSA-N 314.476 3.661 0 30 DHAC O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCO2 168866 XHPJDMUZVJXHAE-UHFFFAOYSA-N 307.271 3.893 0 30 DHAC N#CC(=Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 5992194 ZYOKZRRZBHAMJD-UHFFFAOYSA-N 309.799 3.740 0 30 DHAC CON=Cc1cc(C(=O)c2ccc(Cl)cc2Cl)cn1C 254441606 KNABZFDFZZRLPK-UHFFFAOYSA-N 311.168 3.543 0 30 DHAC Ic1ccc(NCc2ccccc2)cc1 20360957 XRLJKIYWSQACLG-UHFFFAOYSA-N 309.150 3.903 0 30 DHAC Cc1ccc2cc(NC(=O)c3cccc4nsnc34)ccc2n1 12340946 YTAZENVCYMVCNQ-UHFFFAOYSA-N 320.377 3.800 0 30 DHAC CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1 78827667 OKDSPZRSANXDRL-HNAYVOBHSA-N 311.425 3.813 0 30 DHAC O=C(Nc1cc(F)c(Br)cc1F)c1ccco1 74441 CGDXJBVJRBUAMP-UHFFFAOYSA-N 302.074 3.573 0 30 DHAC Cc1cc(C)c2cc(C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c1 114525 WYGFMJLEHVBHLH-UHFFFAOYSA-N 308.337 3.766 0 30 DHAC O=[N+]([O-])c1ccc(N=c2ssnc2Cl)c(Cl)c1 254566839 NJINDYUAIOFSAF-UHFFFAOYSA-N 308.171 3.652 0 30 DHAC Fc1ccccc1C=NNc1nc(Cl)nc2ccccc12 254732892 MEDLOMPEMQDACN-UHFFFAOYSA-N 300.724 3.868 0 30 DHAC COC(=O)c1c(NC(=O)c2ccccc2Cl)csc1C 82674 VIAMGEHQBTVYHP-UHFFFAOYSA-N 309.774 3.749 0 30 DHAC CCOC(=O)c1c(C)n[nH]c1Nc1cccc(Cl)c1Cl 113244 YVGZVAHBFZCLJT-UHFFFAOYSA-N 314.172 3.945 0 30 DHAC CCCCC[C@@H](C)NCC(C)(C)OC(=O)c1ccc(N)cc1 1995949 GTZQWZMZTIBVGV-CQSZACIVSA-N 306.450 3.763 0 30 DHAC CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccccc2)CC1 114080904 GBRZXURGNWSHOT-MRXNPFEDSA-N 304.434 3.566 0 30 DHAC Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)OC3)cc1Cl 146819 UDPQATVOYHHXGS-UHFFFAOYSA-N 316.744 3.963 0 30 DHAC Clc1cc(I)sc1Br 148704419 ZJURXQSIKGRFQO-UHFFFAOYSA-N 323.380 3.769 0 30 DHAC O=C1CS[C@H](c2cccnc2)N1c1ccc(C(F)(F)F)cc1 101642 KMIMHJOXYRSZLO-CQSZACIVSA-N 324.327 3.879 0 30 DHAC CCCCOCCOC(=O)c1ccccc1C(=O)OCCCC 5514133 SAZHSGVMQSGJTQ-UHFFFAOYSA-N 322.401 3.617 0 30 DHAC C[C@@H]([C@@H](O)c1ccc(CCc2ccccc2)cc1)n1ccnc1 27770042 YGQLCGKNFWSRFH-OXJNMPFZSA-N 306.409 3.963 0 30 DHAC O=S(=O)(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 110675 YXRXTJPIYSVXOI-UHFFFAOYSA-N 302.729 3.592 0 30 DHAC COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(C)=O)cc1 159472 PPHONOZCKMNSAN-ICSRJNTNSA-N 320.392 3.565 0 30 DHAC O=C(O)CCCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1 314071145 CFYPFLRHLYAWBG-UHFFFAOYSA-N 318.756 3.815 0 30 DHAC Cc1ccccc1-n1c(-c2ccccn2)nc2ccccc2c1=O 1849082 DIWNBHUAJIBOIL-UHFFFAOYSA-N 313.360 3.756 0 30 DHAC FC(F)(F)c1cccc(NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)c1 100234591 HTIXYPRJYANIRL-OUJBWJOFSA-N 312.360 3.956 0 30 DHAC Cn1ncc(C(=O)Sc2ccc(Cl)cc2)c1-n1cccc1 117094 CVEOUOKMJRDTHO-UHFFFAOYSA-N 317.801 3.797 0 30 DHAC O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc[nH]n1 73858862 CWSSWTMVIZUCKU-UHFFFAOYSA-N 320.377 3.939 0 30 DHAC O=C(O)Cc1cc(C(F)(F)F)cc(Br)c1Cl 575679418 XXRHHGHUJHPHLF-UHFFFAOYSA-N 317.488 3.748 0 30 DHAC Brc1cccc(/C=C\I)c1 66308921 JIVGFMUGTDJRNC-PLNGDYQASA-N 308.944 3.855 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CC(O)=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118916736 NIDCVAGWUPRSFF-RXNYBZGSSA-N 306.446 3.557 0 30 DHAC COc1ccc(NC(=O)CCn2cc(C)c3ccccc32)cc1 119355 TTYYVLCSYHLKOK-UHFFFAOYSA-N 308.381 3.987 0 30 DHAC CC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 159575 RESSINFXKKBVST-UHFFFAOYSA-N 321.405 3.887 0 30 DHAC O=c1[nH]nc(SCc2ccccc2)n1-c1cccc(Cl)c1 95704527 SQSLRZGWCJEPPE-UHFFFAOYSA-N 317.801 3.506 0 30 DHAC CCOC(=O)/C(=C\c1ccc(Cl)cc1Cl)C(=O)CCl 113658234 ZLBUOXSXIYSXQV-YHYXMXQVSA-N 321.587 3.748 0 30 DHAC O=C1C(=NO)c2ccccc2N1Cc1c(Cl)cccc1Cl 254498537 GDGXEHCXRSIZCT-UHFFFAOYSA-N 321.163 3.719 0 30 DHAC CN(C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 73161 ITSKXAGRFVPYQO-UHFFFAOYSA-N 309.321 3.520 0 30 DHAC C[C@H]1CCCC[C@H]1NC(=O)NCCSCc1ccccc1 12793714 OWUXUXDKUOFZOQ-GOEBONIOSA-N 306.475 3.798 0 30 DHAC Cc1cc2c(cc(=O)c1O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3 136768136 QCERTNNJMAPQRG-MDZRGWNJSA-N 300.398 3.600 0 30 DHAC biogenic CC(C)(C)OC(=O)N1CC2(CCCN(Cc3ccccc3)C2)C1 95937450 OWZPTKUWNHQSPG-UHFFFAOYSA-N 316.445 3.520 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)N(Cl)C[C@@]43C)[C@H]1CC[C@@H]2O 2265351296 BUSKSASJRZQMEF-VURCRSAKSA-N 323.864 3.512 0 30 DHAC COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3CC[C@H]12 404259 BSKWXDWRTACMCC-YTQUADARSA-N 302.414 3.879 0 30 DHAC CN(C)CCNc1nc(-c2ccccc2)c(-c2ccccc2)o1 5688936 ZHLAWCRBKNNTNO-UHFFFAOYSA-N 307.397 3.982 0 30 DHAC OCC[C@@H](S[C@H](CCO)c1ccccc1)c1ccccc1 71791184 GTRVIDXAAGHREI-QZTJIDSGSA-N 302.439 3.967 0 30 DHAC CC(C)(C)c1n[nH]c(Sc2ccc(C(F)(F)F)cn2)n1 1047728 MNNHKXJICQHUMB-UHFFFAOYSA-N 302.325 3.667 0 30 DHAC C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21CC 3977932 WWYNJERNGUHSAO-DGGDGUMWSA-N 312.453 3.883 0 30 DHAC CN(C)C[C@@H]1COc2ccccc2C(c2cccc(Cl)c2)=N1 33885683 FACOYPAOKYWASH-OAHLLOKOSA-N 314.816 3.500 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@@]12CCN(Cc1ccccc1)C2 306608318 VSYWKWGAOXGIGS-IBGZPJMESA-N 316.445 3.662 0 30 DHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1CCCCC[C@H]1O 2265352053 ONCFXGWMYOBHES-ZHCJQAHYSA-N 311.466 3.867 0 30 DHAC CCCCN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21 3138237 XBXBPKFWPRMZBI-INIZCTEOSA-N 310.441 3.887 0 30 DHAC O=S(=O)(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 35569531 OKIRNOHENRFVMC-UHFFFAOYSA-N 302.273 3.619 0 30 DHAC Cc1ccc(S(=O)(=O)/N=[S@](/c2ccccc2)C(C)C)cc1 13152252 DWNRUURVBUPQSB-HXUWFJFHSA-N 321.467 3.953 0 30 DHAC CC(C)S(=O)(=O)c1cscc1NC(=O)Nc1ccccc1 96408 LDFZUTFGSODEFP-UHFFFAOYSA-N 324.427 3.574 0 30 DHAC CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1 1796 RARQHAFNGNPQCZ-UHFFFAOYSA-N 305.761 3.636 0 30 DHAC in-man c1ccc2c(c1)N[C@H](c1ccc3c(c1)OCCO3)n1cccc1-2 158226 JTYHEIYSAAIMGZ-IBGZPJMESA-N 304.349 3.899 0 30 DHAC O=C(OCc1ccccc1)N1CCC[C@@]2(Cc3ccccc3N2)C1 888084758 OSHJDCSJUIOSGC-HXUWFJFHSA-N 322.408 3.826 0 30 DHAC O=C(NCc1csc(-c2cccs2)n1)c1ccccc1 131594 LZFPRHTWKAARHI-UHFFFAOYSA-N 300.408 3.802 0 30 DHAC Cc1cc2c(cc(=O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3 136768097 QCERTNNJMAPQRG-GJYPPUQNSA-N 300.398 3.600 0 30 DHAC biogenic CC[C@@H](C)N1c2ccccc2C(=O)N(C)c2cnc(Cl)nc21 1384480003 PINUTXIWORDATQ-SNVBAGLBSA-N 316.792 3.657 0 30 DHAC Cc1ccc(SCC(=O)N2CCC(C(F)(F)F)CC2)cc1 127561 AWVXNYZCQNDONV-UHFFFAOYSA-N 317.376 3.888 0 30 DHAC Cc1cc(C)cc(NC(=O)Nc2cc(C(C)(C)C)nn2C)c1 148166 LWMMIEXVDNUQMP-UHFFFAOYSA-N 300.406 3.978 0 30 DHAC CCOC(=O)c1ccccc1Sc1ccccc1C(=O)OC 133979 MTXWDPHCCKAKBH-UHFFFAOYSA-N 316.378 3.801 0 30 DHAC c1ccc(CN2CCC(Nc3ncnc4ccsc34)CC2)cc1 116559 YNDAKUSZOZEHBE-UHFFFAOYSA-N 324.453 3.768 0 30 DHAC Cc1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 96304813 HKXKEWZMZZCHRO-UHFFFAOYSA-N 303.402 3.825 0 30 DHAC CCCC(=O)O[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 4342730 CXEKONKMACRHME-RBUKOAKNSA-N 310.349 3.715 0 30 DHAC COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 310024973 UGFTUTCUYGFQTD-UHFFFAOYSA-N 321.417 3.818 0 30 DHAC C[C@H](C(=O)O)[C@@](C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 146083026 YVWIRDHPNGRLMV-ADLMAVQZSA-N 316.328 3.556 0 30 DHAC in-vitro CC(=O)n1nc(C)c(Sc2ccc(C(F)(F)F)cn2)c1C 123536 JDYBRQNIZKYIEC-UHFFFAOYSA-N 315.320 3.725 0 30 DHAC O=C(Nc1nc2ccccc2s1)c1cnccc1C(F)(F)F 77393 WKICLVSYOZLYLG-UHFFFAOYSA-N 323.299 3.962 0 30 DHAC CCOC(=O)[C@@H]1CCc2ccc(OCc3ccccc3)cc2O1 38316897 SAJPHBVKQLIQOR-KRWDZBQOSA-N 312.365 3.522 0 30 DHAC Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(F)cc1 157329 IRNFLRZZSCRLSQ-UHFFFAOYSA-N 310.332 3.870 0 30 DHAC CCCCCCCCCCCC[C@H](C(=O)O)S(=O)(=O)O 59726465 WOHIIBNOBPKOGA-CYBMUJFWSA-N 308.440 3.638 0 30 DHAC S=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 73052 QGKWICHUGLMDMP-UHFFFAOYSA-N 312.225 3.875 0 30 DHAC Cc1ccc(S(=O)(=O)/N=[S@@](/c2ccccc2)C(C)C)cc1 136335 DWNRUURVBUPQSB-FQEVSTJZSA-N 321.467 3.953 0 30 DHAC CCCCCC[C@H](C)N(C)CCOC(=O)c1ccc(N)cc1 1995975 QOLVHWOCGXDRIB-HNNXBMFYSA-N 306.450 3.716 0 30 DHAC COC(=O)Nc1cn2cc(C(Cl)=C(Cl)Cl)ccc2n1 13209478 OXGVNSTXIHAKHB-UHFFFAOYSA-N 320.563 3.855 0 30 DHAC O=C1C(=NO)c2cc(Cl)ccc2N1Cc1ccc(Cl)cc1 254631320 JUQXAIBUHNILNF-UHFFFAOYSA-N 321.163 3.719 0 30 DHAC COc1cc2c(cc1Cl)[C@@H](NC(=O)OC(C)(C)C)CCN2 888084742 KWMFNULWDIYEDK-NSHDSACASA-N 312.797 3.730 0 30 DHAC O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(Cl)cc1 119611 HNUSIMPTKLXMBS-UHFFFAOYSA-N 322.798 3.624 0 30 DHAC O=S(=O)(Nc1ccc2ccccc2n1)c1ccccc1Cl 153444 PQWLOKSYXGPRQU-UHFFFAOYSA-N 318.785 3.689 0 30 DHAC O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccco1 153693 RNEQFYNYAJUDCU-UHFFFAOYSA-N 311.366 3.501 0 30 DHAC CN(C)CCCn1c2ccc(N)cc2c2cc(Cl)ccc21 33986688 GAZPWXSFLSJJCE-UHFFFAOYSA-N 301.821 3.982 0 30 DHAC C[C@H]1S[C@H](c2cccnc2)N(c2ccc(F)cc2F)C1=O 101482 UNMLFVDNUVMNOR-RFAUZJTJSA-N 306.337 3.527 0 30 DHAC C[C@@H]1S[C@@H](c2cccnc2)N(c2ccc(F)cc2F)C1=O 101486 UNMLFVDNUVMNOR-VFZGTOFNSA-N 306.337 3.527 0 30 DHAC C[C@@H](C(=O)O)[C@@](C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 146082840 YVWIRDHPNGRLMV-BBATYDOGSA-N 316.328 3.556 0 30 DHAC in-vitro Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1 1530452 IWZDYGHUSXWPPM-UHFFFAOYSA-N 314.385 3.552 0 30 DHAC biogenic,in-vivo O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1Cl 8699175 IDICLIGALZTBJB-HZPDHXFCSA-N 315.800 3.640 0 30 DHAC C[C@H]1S[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O 101454 IXDRVFHZVJDSQV-MEBBXXQBSA-N 304.802 3.902 0 30 DHAC COc1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 109976 LRCWCALFUMBXBE-UHFFFAOYSA-N 322.364 3.717 0 30 DHAC COc1ccc(O)c([Si](C)(C)C(C)(C)C)c1Br 232320593 APDDTRJOHXKESI-UHFFFAOYSA-N 317.299 3.879 0 30 DHAC O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1ccccc1 741349989 GLPFWYPHHIUZQG-IBGZPJMESA-N 309.409 3.785 0 30 DHAC CN(C)c1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1 78565 XDFBTCOCDBULQF-UHFFFAOYSA-N 310.184 3.707 0 30 DHAC CCOC(=O)c1sc(N)nc1-c1ccc(Cl)c(Cl)c1 111853534 JXPXUOAMHKRYER-UHFFFAOYSA-N 317.197 3.876 0 30 DHAC O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2s1 119818 SDUCMVTXSUAROP-UHFFFAOYSA-N 311.362 3.560 0 30 DHAC COC(=O)/N=c1\[nH]c2ccc(SC3CCCCC3)cc2[nH]1 5997168 LRPJFWDUBNJJKE-UHFFFAOYSA-N 305.403 3.588 0 30 DHAC in-man CC(C)(C)c1ccc(NC(=S)NCCc2ccncc2)cc1 4361042 KYHAUAMWJJGCGP-UHFFFAOYSA-N 313.470 3.908 0 30 DHAC O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(Cl)cc1 171771 KNZUAPUYXUNDES-BQYQJAHWSA-N 322.842 3.928 0 30 DHAC CC(=O)c1ccc(NC(=O)CN2CCCc3cc(C)ccc32)cc1 119764 YDHZFQFWVXGRDN-UHFFFAOYSA-N 322.408 3.589 0 30 DHAC Cc1ccc(-n2c(N)nc3cc(Br)ccc32)cc1 36899514 JVLQTDDVAPZBCI-UHFFFAOYSA-N 302.175 3.679 0 30 DHAC in-vitro CCOC(=O)c1cc2c(s1)CCN(Cc1ccccc1)CC2 39386892 NVUIKIQDZRMQBL-UHFFFAOYSA-N 315.438 3.526 0 30 DHAC Brc1cc(Br)c(-c2ccccc2)nn1 95935501 LINXZJNHOAOKNW-UHFFFAOYSA-N 313.980 3.669 0 30 DHAC S=C(NCc1ccncc1)Nc1cccc(Cl)c1Cl 71922 KAPIQGULDCKNKC-UHFFFAOYSA-N 312.225 3.875 0 30 DHAC CC(=O)Nc1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1 13656612 HZYZGNOVKQWERI-UHFFFAOYSA-N 317.389 3.901 0 30 DHAC CC(=O)O[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1 3622154 BSPGKOYLLQRMCH-AZUAARDMSA-N 309.409 3.502 0 30 DHAC CN(Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 114622743 QTWWJYNKEPAIJW-UHFFFAOYSA-N 304.434 3.518 0 30 DHAC Fc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)no1 77565 OOSIXBFRGGFKFZ-UHFFFAOYSA-N 309.222 3.957 0 30 DHAC CCCCOC(=O)CSCC(=O)OC[C@H](CC)CCCC 33610826 ICKUQBKYPDFCFJ-CQSZACIVSA-N 318.479 3.823 0 30 DHAC Oc1cncc(-c2nc3cc(Br)ccc3s2)c1 104416958 IBFSAYYCKWPLBE-UHFFFAOYSA-N 307.172 3.826 0 30 DHAC CC(C)(CC(=O)O)CC(=O)Nc1cccc(Cl)c1Cl 101362 DKPMGSKLGKVSBH-UHFFFAOYSA-N 304.173 3.823 0 30 DHAC Brc1ccc2[nH]ncc2c1OCc1ccccc1 59691274 BMLQCJLQVVXXLD-UHFFFAOYSA-N 303.159 3.904 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccccc2F)CC1 697366242 AZSQACUVXLTFIE-HNNXBMFYSA-N 309.381 3.506 0 30 DHAC CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(F)cc1 159453 ZDYVODWJRABWDL-HKUYNNGSSA-N 308.356 3.696 0 30 DHAC CCn1cc(C(=O)O)c(=O)c2c(-c3ccccc3)c(C)sc21 35570251 IGIIPIPRCYAWDH-UHFFFAOYSA-N 313.378 3.757 0 30 DHAC C[C@H](O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 207952179 HLFBHJAUZWXFOY-SFHVURJKSA-N 317.432 3.949 0 30 DHAC O=C1C(=NO)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 254843129 ZXVBFAKIXMFJNH-UHFFFAOYSA-N 321.163 3.719 0 30 DHAC COC(=O)/C(=C/N(C)C)Sc1cc(C)c(Cl)cc1Cl 33381015 IVRCIMDZTUJFEU-GHXNOFRVSA-N 320.241 3.970 0 30 DHAC CC[C@@H](O)c1ccc(OCCN[C@@H](C)Cc2ccccc2)cc1 1842862 DOBLSWXRNYSVDC-OXJNMPFZSA-N 313.441 3.730 0 30 DHAC in-man O=C(COc1ncnc2cc(Cl)ccc12)c1ccc(F)cc1 154255 ZWPSHBUKMRVFMW-UHFFFAOYSA-N 316.719 3.684 0 30 DHAC CCc1cccc([N+](=O)[O-])c1NC(=O)c1c(F)cccc1F 139674890 BUSJJJHOROVCDZ-UHFFFAOYSA-N 306.268 3.688 0 30 DHAC C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@@]34CO)[C@@H]1CCC2=O 253497972 VTIPICLYPXESHJ-FCZHJMSUSA-N 318.457 3.530 0 30 DHAC Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 89519 JSPXITPXMRLRIW-UHFFFAOYSA-N 313.748 3.643 0 30 DHAC CSc1ccc(C(=O)c2cccc([C@@H](C)C(=O)O)c2)cc1 33637791 UFDXUEHTMZBRTA-LLVKDONJSA-N 300.379 3.828 0 30 DHAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)c1ccc(F)cc12 575440690 NIWRKVCIELMQRN-OAHLLOKOSA-N 321.392 3.532 0 30 DHAC O=C(NC(=O)c1ccc(F)cc1F)Nc1ccc(Cl)cc1 171825 JUANCPYMKFWATC-UHFFFAOYSA-N 310.687 3.580 0 30 DHAC C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1 113139062 XKSYUMRCBPYFNT-GJZGRUSLSA-N 304.434 3.516 0 30 DHAC CCOC(=O)c1csc(-c2sccc2Br)n1 109162 FHLHPRATYFGOOC-UHFFFAOYSA-N 318.217 3.811 0 30 DHAC Cc1noc(C)c1NC(=O)NCc1ccc(Cl)cc1Cl 1034917 CPKJOFOPTJNFMU-UHFFFAOYSA-N 314.172 3.920 0 30 DHAC Cc1cccc(C)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F 93020 OYXQJNQWTCKVMS-UHFFFAOYSA-N 322.286 3.683 0 30 DHAC Cn1cc(-c2ccc(Br)cc2)nc1-c1ccccn1 66347835 RHCDQKUOKLLODV-UHFFFAOYSA-N 314.186 3.912 0 30 DHAC CC1=CC[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2C1 99849 XVMHMVDTROABSK-OLZOCXBDSA-N 310.180 3.839 0 30 DHAC O=C1CS[C@H](c2cccnc2)N1Cc1ccc(Cl)cc1 99572 LVVQHDBPUGBITE-OAHLLOKOSA-N 304.802 3.509 0 30 DHAC Cc1nnsc1C(=O)NCc1csc2ccc(Cl)cc12 148001 KVZPKFIDZINNES-UHFFFAOYSA-N 323.830 3.645 0 30 DHAC CC(C)c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)cc1 71658982 UZOMWIBYDSDHDC-INIZCTEOSA-N 304.434 3.691 0 30 DHAC CCCCCCCCCCCC[C@@H](C(=O)O)S(=O)(=O)O 59726463 WOHIIBNOBPKOGA-ZDUSSCGKSA-N 308.440 3.638 0 30 DHAC O=C(Nc1ccc(F)cc1Cl)c1cnc2ccccc2n1 1025789 FSLLQTMTCYPZRX-UHFFFAOYSA-N 301.708 3.675 0 30 DHAC C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@]34CO)[C@H]1CCC2=O 252428693 VTIPICLYPXESHJ-LFMXGZDGSA-N 318.457 3.530 0 30 DHAC O=C1Nc2c(ccc(Cl)c2Cl)C(=O)[C@]1(F)c1ccccc1 134389 HEGQCRYRRSFCJW-OAHLLOKOSA-N 324.138 3.993 0 30 DHAC CN(C)CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 2034433 GTYLAXADLIHMMY-UHFFFAOYSA-N 323.392 3.791 0 30 DHAC CCN(CC)CCNC(=O)[C@H](C)c1ccc(-c2ccccc2)cc1 1846100 GXLWOFJVIBEMCS-QGZVFWFLSA-N 324.468 3.915 0 30 DHAC in-man COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(C)=O)cc1 4335040 PPHONOZCKMNSAN-UYAOXDASSA-N 320.392 3.565 0 30 DHAC CCN(CC)CC[C@]1(c2ccccc2)C(=O)Oc2ccccc21 53021878 HPITVGRITATAFY-HXUWFJFHSA-N 309.409 3.624 0 30 DHAC in-man Cc1ccc(-c2ncccc2-c2ccc(S(C)(=O)=O)cc2)cn1 114598761 DJQFDIJHIDCKJV-UHFFFAOYSA-N 324.405 3.523 0 30 DHAC O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(F)cc1F 106268 KZDFKMNOZMXKBR-UHFFFAOYSA-N 300.264 3.872 0 30 DHAC O=C(CSc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 115486 VYNLQDQNZINLCR-UHFFFAOYSA-N 313.357 3.586 0 30 DHAC CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 139647 IUJLIGNSDSVYRU-UHFFFAOYSA-N 320.776 3.900 0 30 DHAC O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccc(F)cc1 152546 IDWQKVGKWZLJDV-DHDCSXOGSA-N 305.312 3.709 0 30 DHAC COC(=O)c1cc(Cl)c2cc(F)cc(Br)c2n1 103928483 MBXLYXPIKBSGMV-UHFFFAOYSA-N 318.529 3.576 0 30 DHAC O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2ccccc2c1 146825 VFPZKGNQEHWZSS-UHFFFAOYSA-N 320.348 3.890 0 30 DHAC COc1ccccc1C1CCN(C(=O)C2CCCCC2)CC1 135235 CDHKHQNGZNHTRI-UHFFFAOYSA-N 301.430 3.982 0 30 DHAC c1ccc(-c2nc(CN3CCOCC3)oc2-c2ccccc2)cc1 31561565 AKGXJTYPTNGRPS-UHFFFAOYSA-N 320.392 3.841 0 30 DHAC CCN(CC)[C@@H]1OC(=O)C(c2ccccc2)=C1c1ccccc1 38290212 NWJMPKWSDOMBBD-LJQANCHMSA-N 307.393 3.822 0 30 DHAC S=C(NCc1ccncc1)Nc1cc(Cl)ccc1Cl 71911 UUSVKGBJFNIGNA-UHFFFAOYSA-N 312.225 3.875 0 30 DHAC CSCC(CSC)OC(=O)Nc1ccc(Cl)cc1 140802 DAWLMPHCMIGMGM-UHFFFAOYSA-N 305.852 3.983 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 220761267 RKOLFFUVSKRANC-CQSZACIVSA-N 324.852 3.829 0 30 DHAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1cccc(Br)c1 83328570 DTACUJOMFXBPGV-SKDRFNHKSA-N 311.175 3.523 0 30 DHAC Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(C)cc3)C2)cc1 13675220 IXWUIEQWLIZCLY-KRWDZBQOSA-N 309.438 3.698 0 30 DHAC CCCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35941200 CGPTXLPKLSGZHK-UHFFFAOYSA-N 301.230 3.821 0 30 DHAC CS(=O)(=O)c1cccc(-c2ccc(Br)cc2)c1 81161352 GOXFRRIZCFCXKB-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC COc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(OC)c1OC 21300939 OQQMCJYMZWROIC-UHFFFAOYSA-N 318.760 3.909 0 30 DHAC CN(C)C[C@H]1COc2ccccc2C(c2cccc(Cl)c2)=N1 33885684 FACOYPAOKYWASH-HNNXBMFYSA-N 314.816 3.500 0 30 DHAC CC1(C2(O)c3ccccc3C=Cc3ccccc32)CCNCC1 38633945 CEGISEJCSFMVJE-UHFFFAOYSA-N 305.421 3.796 0 30 DHAC O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)nc1 150280640 HQYDZBUWGSFCMO-UHFFFAOYSA-N 322.280 3.627 0 30 DHAC Cc1nc(C2CC2)ncc1-c1nsc(Nc2ccccc2)n1 1323612 GOMXVFAJEPCDHR-UHFFFAOYSA-N 309.398 3.925 0 30 DHAC COc1ccc([C@@H]2CN=N[C@@]23CSc2ccccc2C3=O)cc1 4343138 ISWBTKVAZFJCLA-YJBOKZPZSA-N 324.405 3.972 0 30 DHAC CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(CO)cc1 72232957 GCZFXLXXSJVAKS-UHFFFAOYSA-N 313.397 3.871 0 30 DHAC COc1cc2c(cc1CNCc1ccsc1C)O[C@@H](C)C2 294260561 UYQWNZAMNDGGQW-NSHDSACASA-N 303.427 3.678 0 30 DHAC CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 1080677104 DBXQAPGFWYIOGN-IMFGXOCKSA-N 310.393 3.957 0 30 DHAC CC(C)N1C[C@H](COc2ccc(Cl)cc2Cl)OC1=O 74113 HVIUHXWNUMOMNG-SNVBAGLBSA-N 304.173 3.601 0 30 DHAC COc1c(C)c(O)c(C)c(O)c1C(=O)CCc1ccccc1 6068727 HBRYKWADRULLHU-UHFFFAOYSA-N 300.354 3.539 0 30 DHAC biogenic CCOC(=O)c1sc(N2CCCC2)c2c1CC(C)(C)CC2=O 148864 ZAWMYGASKXPMDK-UHFFFAOYSA-N 321.442 3.680 0 30 DHAC N[C@H](CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 2000131 ZBBGGJJSYSHQJM-OAHLLOKOSA-N 303.789 3.744 0 30 DHAC CN(C)P1(=O)OCC(c2ccccc2)(c2ccccc2)CO1 139787912 LRLHQWFASNZKQU-UHFFFAOYSA-N 317.325 3.689 0 30 DHAC CC(=O)c1nnn(-c2c(Cl)cc(Cl)cc2Cl)c1C 141453 MBDYGIXLBOYBRX-UHFFFAOYSA-N 304.564 3.739 0 30 DHAC Cc1cc2c(c(O)c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5765243 JTWXFIVAPGTLBX-GPQWERQGSA-N 302.414 3.623 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@H](CO)c2ccc(F)cc2)CC1 385781203 FKZZPIIUJGRNJS-MRXNPFEDSA-N 323.408 3.549 0 30 DHAC CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nccs1 38926942 XKQIMMSGBAFRMN-CYBMUJFWSA-N 304.415 3.952 0 30 DHAC Cc1ccc(NC(=O)OC(C)(C)C)c(N)c1Br 642881808 IGAREGZGZATZTF-UHFFFAOYSA-N 301.184 3.687 0 30 DHAC C(=Cc1ccccc1)Cn1ccc(-c2ccc3c(c2)OCO3)n1 2265279319 SIYXSCKFVHSFBQ-UHFFFAOYSA-N 304.349 3.992 0 30 DHAC CCCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1 93472 OQFMRRYLIVXDID-UHFFFAOYSA-N 311.410 3.908 0 30 DHAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NCc1ccsc1 98210301 HFYUUBGLZRLVKQ-CQSZACIVSA-N 322.474 3.627 0 30 DHAC NC1=CC(Cl)(Cl)C(c2ccc(N)cc2)=CC1(Cl)Cl 148856326 UVTKEIRCEPKSCD-UHFFFAOYSA-N 324.038 3.856 0 30 DHAC NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 8924 ONVYPVVYNXLFQK-UHFFFAOYSA-N 304.758 3.841 0 30 DHAC CS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 84222834 XPTINVFKRYFGCA-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC CC[C@H](C)N1c2ccccc2C(=O)N(C)c2cnc(Cl)nc21 1384479985 PINUTXIWORDATQ-JTQLQIEISA-N 316.792 3.657 0 30 DHAC CCCc1cnc(Oc2ncnc3cc(Cl)ccc23)nc1 152570 QYURVOZPVUOOPC-UHFFFAOYSA-N 300.749 3.818 0 30 DHAC CN(C)CCCN1Cc2cccc3c2N(CC3)c2ccccc21 28771273 BWQMHKNSKUBRDB-UHFFFAOYSA-N 307.441 3.653 0 30 DHAC COC(=O)c1cc2c(-c3ccccc3)[nH]n(-c3ccccc3)c-2n1 138576025 KCSJTCRMLQVDCR-UHFFFAOYSA-N 317.348 3.759 0 30 DHAC CC(=NOC(=O)c1cccc(Cl)c1)c1sc(C)nc1C 254354429 UCAYHZMCZLIDNE-UHFFFAOYSA-N 308.790 3.994 0 30 DHAC O=C(c1cnc2ccccn12)C(F)(F)Sc1ccccc1 129957 XADLTVWDMTVBER-UHFFFAOYSA-N 304.321 3.902 0 30 DHAC O[C@@]1(c2cccc(Cl)c2)CCCN(Cc2ccccc2)C1 34475162 SKCSHTQTBMBQCL-SFHVURJKSA-N 301.817 3.824 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@@H](O)c2ccccc2F)CC1 697366245 AZSQACUVXLTFIE-OAHLLOKOSA-N 309.381 3.506 0 30 DHAC CCCc1cc(=O)oc2c1c(C)nn2-c1cccc(Cl)c1 91828 RGMCBABNCPPPCF-UHFFFAOYSA-N 302.761 3.893 0 30 DHAC CC(C)(C)OC(=O)c1c2oc2c(C(=O)OC(C)(C)C)c2oc12 604970901 BBZSEVDTFFFVDR-UHFFFAOYSA-N 306.314 3.965 0 30 DHAC CN(C)CCC[C@@]1(O)C=CC2=C(CCC=C2)Cc2ccccc21 1996602 UGCNUYSIBDTHJX-OAQYLSRUSA-N 309.453 3.975 0 30 DHAC O=S(=O)(C=Cc1ccc2ccccc2c1)NCc1ccccc1 2265237593 UWFDZMRMSYNJAC-UHFFFAOYSA-N 323.417 3.930 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CC(O)=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118916733 NIDCVAGWUPRSFF-NAWYTOPGSA-N 306.446 3.557 0 30 DHAC CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccccc1 222362822 ZQOHIKWBJGBHHI-MRXNPFEDSA-N 304.434 3.566 0 30 DHAC CC(C)Cn1nc(NCc2ccccc2)c2cnc(Cl)nc21 953000009 ANAYEWMPQRKDEP-UHFFFAOYSA-N 315.808 3.748 0 30 DHAC Cc1cccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)s2)n1 171704 SISNFDKBYSIHGF-UHFFFAOYSA-N 317.414 3.711 0 30 DHAC C[C@@H]1S[C@H](c2cccnc2)N(c2ccc(F)cc2F)C1=O 101475 UNMLFVDNUVMNOR-BJOHPYRUSA-N 306.337 3.527 0 30 DHAC CC(=O)Nc1ccc(Oc2nc(-c3ccccc3)ns2)cc1 146100 BHQAQHKUWYOCDB-UHFFFAOYSA-N 311.366 3.956 0 30 DHAC CCOC(=O)/C(C)=C/[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 953019080 ZLBNVXPAQSASOW-RJFSVJCMSA-N 311.422 3.579 0 30 DHAC Nc1ccc(Cl)cc1C(=O)NCCc1ccc(Cl)cc1 167458 IVHDKEDQFRMLLT-UHFFFAOYSA-N 309.196 3.548 0 30 DHAC O=C(Nc1cccc2c1CCCC2)c1cccc2nsnc12 12340939 XQIWZNLWQJKNQM-UHFFFAOYSA-N 309.394 3.822 0 30 DHAC C[C@H]1S[C@@H](c2cccnc2)N(c2ccc(F)cc2F)C1=O 101492 UNMLFVDNUVMNOR-PSLIRLAXSA-N 306.337 3.527 0 30 DHAC O=[N+]([O-])/C=C/c1cc2cc(Br)ccc2nc1Cl 32099813 YUISLCAOXGMGFC-ONEGZZNKSA-N 313.538 3.898 0 30 DHAC COc1cccc2onc(NC(=O)c3cccc(Cl)c3)c12 12340925 NDVVVYGUKIXJGN-UHFFFAOYSA-N 302.717 3.742 0 30 DHAC CCOC(=O)c1cc2c(oc1=O)-c1c(ccc3ccccc13)OC2 44138233 IMGOTWSANJNNKF-UHFFFAOYSA-N 322.316 3.529 0 30 DHAC Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1F 148161 VYDNLCHYUJZOPZ-UHFFFAOYSA-N 308.332 3.640 0 30 DHAC CN1C(=O)C(=NNc2ccc(Cl)c(Cl)c2)c2ccccc21 254766302 XOXSMTLADKXVSJ-UHFFFAOYSA-N 320.179 3.786 0 30 DHAC CN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 154825 MYWZMZJUTIEWFD-UHFFFAOYSA-N 301.308 3.990 0 30 DHAC CS(=O)(=O)c1ccccc1-c1ccc(Br)cc1 95616858 SBCAPAKBUXPKFX-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC O=C1OC(=CNOCc2ccc(Cl)cc2)c2ccccc21 2265279387 NMICIYYMRLSRTF-UHFFFAOYSA-N 301.729 3.530 0 30 DHAC CNCCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 2003474 YMVWDVNGNLXSKR-UHFFFAOYSA-N 319.452 3.936 0 30 DHAC in-vitro O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccccc1C(F)(F)F 2579593 UJTUPPKERXWIIR-ZJUUUORDSA-N 300.276 3.779 0 30 DHAC COc1ccc(Cl)cc1NC(=O)CSCc1ccco1 172943 SOLNIFZCQVUMBC-UHFFFAOYSA-N 311.790 3.814 0 30 DHAC COc1ccc2c(c1)CC[C@@H]1C2=NN(C)[C@H]1c1ccc(F)cc1 4377780 GZZDATZATMQJKR-MJGOQNOKSA-N 310.372 3.788 0 30 DHAC CCC(=O)N(C[C@H](C)N(C)CCc1ccccc1)c1ccccc1 1850017 RXTHKWVSXOIHJS-SFHVURJKSA-N 324.468 3.993 0 30 DHAC in-man O=C(O)c1ccccc1Nc1c(Cl)ccc(CO)c1Cl 22060875 SMILHFIJFWZZIM-UHFFFAOYSA-N 312.152 3.928 0 30 DHAC biogenic,in-vitro CC1(C)S[C@H](c2ccc(Cl)cc2Cl)N[C@@H]1C(=O)O 134500 YRSQTILUDWVTDT-NXEZZACHSA-N 306.214 3.560 0 30 DHAC COc1ccc2ncc(Br)c(Br)c2c1 41702592 MFKLKVKESFLKCP-UHFFFAOYSA-N 316.980 3.768 0 30 DHAC CO[C@@H](N(Cc1ccccc1)C[Si](C)(C)C)C(F)(F)F 204918927 CUKBDXACQIOYMR-CYBMUJFWSA-N 305.416 3.901 0 30 DHAC O=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)cc1 99568 LVVQHDBPUGBITE-HNNXBMFYSA-N 304.802 3.509 0 30 DHAC CNC(=O)c1cccc2cccc(Sc3ccccc3CO)c12 133939 JSNQXCDSFZVWPK-UHFFFAOYSA-N 323.417 3.843 0 30 DHAC O=C(NCCc1cccs1)c1ccc(OC(F)(F)F)cc1 108141 MKVCLJXWCYJLLO-UHFFFAOYSA-N 315.316 3.619 0 30 DHAC O=C(C1=NNC[C@@H]1c1ccccc1)c1ccc2ccccc2c1 161754 LVHWHBDDDFILQZ-GOSISDBHSA-N 300.361 3.766 0 30 DHAC Cc1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2o1 172227 ODOJVKAUSFQFTI-UHFFFAOYSA-N 322.773 3.590 0 30 DHAC O=C(Nc1ccc2ncsc2c1)c1cccc2nsnc12 12340956 NHPGPWFZQUPJPU-UHFFFAOYSA-N 312.379 3.553 0 30 DHAC Cc1cccc(C=NNC(=O)c2sccc2-n2cccc2)c1 12955373 CFWXNDFXMPDHJP-UHFFFAOYSA-N 309.394 3.611 0 30 DHAC CCC(=O)c1cccc(OC(=O)CSc2ccccc2)c1 62725523 PICNDDSJMCJKIX-UHFFFAOYSA-N 300.379 3.977 0 30 DHAC COc1cccc(NC(=S)N=[S@@](C)(=O)c2ccccc2)c1 100217845 PPAVPESGPMLZGM-NRFANRHFSA-N 320.439 3.549 0 30 DHAC CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccccc1 222362875 ZQOHIKWBJGBHHI-INIZCTEOSA-N 304.434 3.566 0 30 DHAC CC(C)N1C(=O)C(=NNc2ccccc2Cl)c2ccccc21 254752161 JDBIVDWZPNCCGA-UHFFFAOYSA-N 313.788 3.911 0 30 DHAC COc1nccc(C(F)(F)F)c1C(=O)Nc1c(C)cccc1C 77845 CJTIEAVHNGCZNR-UHFFFAOYSA-N 324.302 3.978 0 30 DHAC CC(C)COCCCN1CCN(c2cccc(Cl)c2)CC1 212662650 FRTBSOPDOOIUDF-UHFFFAOYSA-N 310.869 3.525 0 30 DHAC CCOC(=O)CSc1nc2cc(Cl)ccc2n1C(C)C 121249 RAEIVSJBLKIBKM-UHFFFAOYSA-N 312.822 3.926 0 30 DHAC CC[C@@H](O)c1ccc(OCCN[C@H](C)Cc2ccccc2)cc1 1842868 DOBLSWXRNYSVDC-OXQOHEQNSA-N 313.441 3.730 0 30 DHAC in-man Cc1nc([C@H](C)C(=O)O)c(Sc2cccc(Cl)c2)n1C 32025120 AQCZCMPLCFTXMO-QMMMGPOBSA-N 310.806 3.721 0 30 DHAC O=[N+]([O-])/C=C/c1cc2ccc(Br)cc2nc1Cl 32099814 LIJNOWIUWIYUHC-ONEGZZNKSA-N 313.538 3.898 0 30 DHAC COCCCC[C@@H](Cc1ccc(Br)cc1)C(=O)O 228706221 COGZOKGCBVGTHF-LBPRGKRZSA-N 315.207 3.509 0 30 DHAC COc1ccc(N=Cc2c(C(F)(F)F)nn(C)c2Cl)cc1 254843156 CBIVVRMFZKFRHC-UHFFFAOYSA-N 317.698 3.852 0 30 DHAC Cc1ccc([N+](=O)[O-])c(NC(=O)c2c(F)cccc2F)c1C 139675037 SKMGUOLLPVDMNV-UHFFFAOYSA-N 306.268 3.742 0 30 DHAC O=c1c(-c2ccccc2)c(O)[nH]c2ccc(OC(F)(F)F)cc12 173641 ZDQQSUPCZSYFKN-UHFFFAOYSA-N 321.254 3.799 0 30 DHAC O=C(O)CC1(CC(=O)NCc2ccc(Cl)cc2)CCCCC1 105454 FGQMKOQYQRAWPL-UHFFFAOYSA-N 323.820 3.772 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CC(O)=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118916734 NIDCVAGWUPRSFF-XBQSQEFVSA-N 306.446 3.557 0 30 DHAC Cc1c2c(=O)[nH]c3ccc(Cl)cc3c2nn1[C@@H]1CCCCO1 95616865 WKWKRWPZGOOCEO-ZDUSSCGKSA-N 317.776 3.539 0 30 DHAC CSc1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1 69952 NZGQMQPXRZLALG-UHFFFAOYSA-N 307.415 3.772 0 30 DHAC C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1 155828 BQRFHMVBQUONMC-NSHDSACASA-N 313.332 3.595 0 30 DHAC Oc1nc2ccccc2nc1NN=Cc1c(F)cccc1Cl 254759385 MILWYUDORQOMFO-UHFFFAOYSA-N 316.723 3.574 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@@H](CO)c2ccc(F)cc2)CC1 385781197 FKZZPIIUJGRNJS-INIZCTEOSA-N 323.408 3.549 0 30 DHAC O=C(Nc1ccccc1)c1csc(-c2ccc3c(c2)CCO3)n1 113647 ZNJJUDQJXGSPRT-UHFFFAOYSA-N 322.389 3.997 0 30 DHAC C[S@](=N)(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 100216511 QKEDFTVVJORXSK-FQEVSTJZSA-N 309.774 3.595 0 30 DHAC CC[C@@H](C(=O)OCCCN1CCCC[C@H]1C)c1ccccc1 255974428 GMKRJJQRDLKNHL-SJLPKXTDSA-N 303.446 3.988 0 30 DHAC CCCCc1c(COC)nc(-c2ccc(Cl)cc2)[nH]c1=O 13468353 OQPFUQVQSWUATL-UHFFFAOYSA-N 306.793 3.579 0 30 DHAC Cc1cc(Br)ccc1C(=O)NCc1ccccc1 48169456 DNJKESWTFXEZDK-UHFFFAOYSA-N 304.187 3.688 0 30 DHAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CCC2=C[C@@H](O)CC[C@]21C 2265351299 CIMYLRGLQBRTJM-HKFDWYQHSA-N 318.457 3.852 0 30 DHAC C[C@@H]1S[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C1=O 101463 IXDRVFHZVJDSQV-BONVTDFDSA-N 304.802 3.902 0 30 DHAC O=[N+]([O-])c1cccc(OCCOCc2ccccc2)c1Cl 40435325 BTXNPWVQFGTWIJ-UHFFFAOYSA-N 307.733 3.844 0 30 DHAC CC(=NNC(=O)Nc1ccncc1)c1ccc(Cl)c(Cl)c1 254486623 CQOSMAYVOVLLCZ-UHFFFAOYSA-N 323.183 3.934 0 30 DHAC FC(F)(F)c1cc(-c2cccnc2)nc2cc(C3CC3)nn12 171011 IAXORVLMFQKOGY-UHFFFAOYSA-N 304.275 3.688 0 30 DHAC O=C(CNC1CCCCC1)Nc1cc(Cl)cc(Cl)c1 167612 YDVHZUJZXRAOIC-UHFFFAOYSA-N 301.217 3.854 0 30 DHAC CC(C)(C)OC(=O)N1CCC(=O)C[C@@H]1c1ccc(Cl)cc1 309968415 HBGRIHPOCBONHR-CQSZACIVSA-N 309.793 3.981 0 30 DHAC O=C(O)CP(=O)(OCc1ccccc1)OCc1ccccc1 4352578 KLEYNUDVTBYXMF-UHFFFAOYSA-N 320.281 3.698 0 30 DHAC CC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)cc(Cl)c1 101009 RHQOVBPVXKPJBH-UHFFFAOYSA-N 304.173 3.823 0 30 DHAC CC(C)(C)OC(=O)N1CCC[C@H](CCC[C@H]2CCCNC2)C1 1535990495 VBENSLXNARCMAJ-HOTGVXAUSA-N 310.482 3.803 0 30 DHAC CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1ccc(Cl)cc1 309968412 HBGRIHPOCBONHR-AWEZNQCLSA-N 309.793 3.981 0 30 DHAC Cc1c(C)c(C)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1C 139490 SZEVHOOVUOAFRQ-RYUDHWBXSA-N 323.502 3.895 0 30 DHAC C[C@]12CC[C@H]3[C@@H](CC(O)=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118916735 NIDCVAGWUPRSFF-JDIMODRQSA-N 306.446 3.557 0 30 DHAC OC1=NC(=S)S/C1=C/c1cc(Br)cs1 1042552 GNMIZFDTQTZKRL-QHHAFSJGSA-N 306.231 3.840 0 30 DHAC FC(F)(F)c1ccc2[nH]cc(I)c2c1 80441387 PIINGUJOTQZZNZ-UHFFFAOYSA-N 311.044 3.791 0 30 DHAC CN1C(=O)C(=NNc2cc(Cl)ccc2Cl)c2ccccc21 254733892 LOAIMGZKXGQZHA-UHFFFAOYSA-N 320.179 3.786 0 30 DHAC Cc1cccc([C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 697345752 CNYYAIGNKYDMCF-INIZCTEOSA-N 305.418 3.676 0 30 DHAC O=c1nc(Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 13467559 LLYBEHKZGCLPMZ-UHFFFAOYSA-N 322.242 3.830 0 30 DHAC COCCOc1ccccc1NC(=O)c1ccc(Cl)cc1 4322837 BXGRGACSEPRIJA-UHFFFAOYSA-N 305.761 3.618 0 30 DHAC Cc1cccc(OCC(O)COc2cccc(C)c2C)c1C 84403516 XDZJQSLWUBSVMJ-UHFFFAOYSA-N 300.398 3.739 0 30 DHAC O=C1C[C@@H](c2coc3ccccc3c2=O)Sc2ccccc2N1 84994 FTHRKDBIRPGZNR-INIZCTEOSA-N 323.373 3.969 0 30 DHAC Brc1ccc(N2CCN(c3ccccc3)CC2)cc1 21987171 PBHXYBDLWFAJTL-UHFFFAOYSA-N 317.230 3.776 0 30 DHAC Cc1cc(C(=O)O)nn1-c1cc(Cl)cc(C(F)(F)F)c1 97937570 MDNHFCDAAJXYDP-UHFFFAOYSA-N 304.655 3.551 0 30 DHAC O=C(NCc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1 113550 XVXCDPYDNZVIEF-UHFFFAOYSA-N 302.761 3.597 0 30 DHAC C[C@@]1(c2ccccc2)C(=O)N(CN2CCCCC2)c2ccccc21 3604509 SVIWCQZMJCTJMJ-NRFANRHFSA-N 320.436 3.783 0 30 DHAC Cn1c(S)nnc1SCc1ccc(Cl)c(Cl)c1 131854 CSCCVJLXYPNUAF-UHFFFAOYSA-N 306.243 3.703 0 30 DHAC C[C@H](Cc1cccc(C(F)(F)F)c1)NCCc1ccccn1 33867284 YWZIEMWNWBRJHV-CYBMUJFWSA-N 308.347 3.864 0 30 DHAC Cc1ccc2c(c1)nnn2CNc1ccc(OC(F)(F)F)cc1 103870 PLFYBNNLORDSGS-UHFFFAOYSA-N 322.290 3.708 0 30 DHAC Cc1cc(-c2onc(C)c2C(=O)Sc2ccccc2)no1 124621 DVFCSRCPPGGKJA-UHFFFAOYSA-N 300.339 3.879 0 30 DHAC O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccco1 150216 YIMLRNNRCZOUHW-UHFFFAOYSA-N 324.311 3.923 0 30 DHAC COc1ccccc1CNC(=O)NC=Cc1ccccc1Cl 1388887 XMBGRQDRUCDMRB-UHFFFAOYSA-N 316.788 3.819 0 30 DHAC COc1cccc(NC(=S)N=[S@](C)(=O)c2ccccc2)c1 13466220 PPAVPESGPMLZGM-OAQYLSRUSA-N 320.439 3.549 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@H](O)c2cccc(F)c2)CC1 79642929 RLRMLFNJEKDGQM-HNNXBMFYSA-N 309.381 3.506 0 30 DHAC CS(=O)(=O)c1ccc(-c2ccccc2Br)cc1 95616857 LPOQSZQVVZDJRZ-UHFFFAOYSA-N 311.200 3.520 0 30 DHAC COc1c(O)ccc2c1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 90515782 PUEXVLNGOBYUEW-HXYMJUCXSA-N 300.398 3.826 0 30 DHAC COC(=O)c1sccc1NC(=O)CSc1ccc(C)cc1 80315 ALYJWSYJFUDCBS-UHFFFAOYSA-N 321.423 3.574 0 30 DHAC COc1ccc(OC)c(-c2cc[nH]n2)c1OCc1ccccc1 4336048 SXANKDJNFANLSS-UHFFFAOYSA-N 310.353 3.673 0 30 DHAC COP(=O)(OC)Oc1noc(-c2ccccc2)c1Cl 3624053 LKDDHEDTVCDLTG-UHFFFAOYSA-N 303.638 3.775 0 30 DHAC Cc1c(C)c(C)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1C 139491 SZEVHOOVUOAFRQ-VXGBXAGGSA-N 323.502 3.895 0 30 DHAC Clc1ccc(CSC2=NCN(C3CC3)CN2)cc1Cl 166875 OYQQGFBYZKZYAA-UHFFFAOYSA-N 316.257 3.565 0 30 DHAC Cc1nn(C(=O)OC(C)(C)C)c2cccc(Br)c12 89157353 GYSCTHYBRMSCIB-UHFFFAOYSA-N 311.179 3.890 0 30 DHAC C[Si](C)(C)O[C@]1(C#N)CCc2cc(Br)ccc21 200305518 BTESNBAXNUBLCW-ZDUSSCGKSA-N 310.267 3.966 0 30 DHAC COc1cc(C(=O)OBr)cc(-c2ccccc2)c1 604934446 IDVWGVHCKYFKED-UHFFFAOYSA-N 307.143 3.829 0 30 DHAC O=c1onc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 78155 RLETVNFWTBXZRV-UHFFFAOYSA-N 306.243 3.511 0 30 DHAC O=C(Nc1ccc2c(c1)C(=O)OC2)c1cc2ccccc2s1 146635 LFAUGTZOASHCNM-UHFFFAOYSA-N 309.346 3.824 0 30 DHAC O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(F)cc2)S1 2265276876 GDCSHDGILZEZIJ-UHFFFAOYSA-N 315.325 3.942 0 30 DHAC CCCCCc1ccc(-c2n[nH]c(SCC(C)=O)n2)cc1 4393980 ITTJCYMRJUDRNM-UHFFFAOYSA-N 303.431 3.886 0 30 DHAC CN(C)CCCOC(=O)C1(Sc2ccccc2)CCCCC1 33886009 LGMURNXELNNYSJ-UHFFFAOYSA-N 321.486 3.977 0 30 DHAC Cc1cc(C)cc(OCCOc2ccc(CCC(=O)O)cc2)c1 11993089 JJBUWKBLHZEARA-UHFFFAOYSA-N 314.381 3.778 0 30 DHAC Cc1cccc(C)c1NC(=O)CSC(=O)c1cccs1 150533 UNPUKHYVRSKVPH-UHFFFAOYSA-N 305.424 3.877 0 30 DHAC COc1ccc(-c2n[nH]cc2/C=C2\C(=O)Nc3ccccc32)cc1 12369271 QQIDKHGRFGSXSN-YBEGLDIGSA-N 317.348 3.578 0 30 DHAC O=C(O)CP(OCc1ccccc1)OCc1ccccc1 96395022 NMTHXDDFIFNXJQ-UHFFFAOYSA-N 304.282 3.817 0 30 DHAC CC(C)Oc1ccccc1-c1cc(=O)c2cc(C(=O)O)ccc2o1 1588 YLQMFQKRHQCFBI-UHFFFAOYSA-N 324.332 3.945 0 30 DHAC in-man Cc1ccccc1NC(=O)/C=C1/NC(C)(C)Cc2ccccc21 100047484 YFGUVFYODINRFP-LDADJPATSA-N 306.409 3.899 0 30 DHAC O=C(NC[C@@H](O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 152411 NQFOQVQVGDWHMS-CQSZACIVSA-N 324.302 3.561 0 30 DHAC OCC[C@H](S[C@@H](CCO)c1ccccc1)c1ccccc1 71791183 GTRVIDXAAGHREI-ROUUACIJSA-N 302.439 3.967 0 30 DHAC CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 745944004 LYZIPXDSXXNDPI-HNNXBMFYSA-N 324.852 3.781 0 30 DHAC COc1ccc(Oc2ncccc2NC(=O)c2ccco2)cc1 84015 SCTCIHDGVJSCHX-UHFFFAOYSA-N 310.309 3.728 0 30 DHAC CC(C)(CC(=O)O)CC(=O)Nc1ccc(Cl)c(Cl)c1 101369 UPGCIGIEIDTQKD-UHFFFAOYSA-N 304.173 3.823 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@H]2CNc3ccccc32)CC1 20281071 TYJQMBWKHHMMRZ-OAHLLOKOSA-N 302.418 3.843 0 30 DHAC CC(C)(C)OC(=O)N1CCC([C@@H](O)c2cccc(F)c2)CC1 79642933 RLRMLFNJEKDGQM-OAHLLOKOSA-N 309.381 3.506 0 30 DHAC CO[C@@]12C(=O)[C@H]3c4ccccc4[C@H]1[C@H]1c4ccccc4[C@H]3C[C@@H]12 136801792 ATKGZFNBPQNXLH-XCHJYWCCSA-N 302.373 3.736 0 30 DHAC O=S(=O)(c1ccccc1)n1ccc2cc(F)cc(Cl)c21 257354547 YKZKWBCXDNUGJZ-UHFFFAOYSA-N 309.749 3.671 0 30 DHAC c1ccc(Oc2ccc(-c3cc(N4CCOCC4)[nH]n3)cc2)cc1 143094 WQWBZRVAFAMASC-UHFFFAOYSA-N 321.380 3.706 0 30 DHAC in-vitro CC(C)[C@](O)(CC(=O)O)c1ccc(-c2ccc(F)cc2)cc1 95832017 NMFHEHRYTRSFNQ-GOSISDBHSA-N 302.345 3.811 0 30 DHAC CCOB1O[C@@H](C(C)(C)C)CC(C(F)(F)F)(C(F)(F)F)O1 195760548 WQBJAVALEDDXNF-SSDOTTSWSA-N 322.054 3.723 0 30 DHAC CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 63626727 HMZNFZNVNOGKPB-HNNXBMFYSA-N 322.424 3.562 0 30 DHAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](Cc1ccccc1)C(=O)C2 2265378638 WNDDOGNGDRXVNB-XHSDSOJGSA-N 315.413 3.586 0 30 DHAC COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1cccnc1 102390 WKXXYZUZGRWXNT-OAHLLOKOSA-N 320.801 3.522 0 30 DHAC Clc1cc(Cl)cc(-c2nnnn2Cc2ccccc2)c1 116121 ILYWVDAQQDGCGW-UHFFFAOYSA-N 305.168 3.695 0 30 DHAC COc1ccc([C@H]2CN=N[C@@]23CSc2ccccc2C3=O)cc1 4343139 ISWBTKVAZFJCLA-QAPCUYQASA-N 324.405 3.972 0 30 DHAC Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1C 72912 HQZCQASQUBRQNT-UHFFFAOYSA-N 302.757 3.997 0 30 DHAC COC(=O)c1sc2ccccc2c1OC(=O)c1cccs1 90557 GMWSLSJQQCFPKW-UHFFFAOYSA-N 318.375 3.969 0 30 DHAC Cc1cccc(C)c1N(C(=O)Cc1ccccc1)[C@@H](C)CN(C)C 2017417 NMNDTUMXUMJCBG-SFHVURJKSA-N 324.468 3.829 0 30 DHAC O=C(CSCC(=O)c1ccc(F)cc1)c1ccc(F)cc1 96327749 PKASVYPYFDIEBP-UHFFFAOYSA-N 306.333 3.764 0 30 DHAC Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(C)cc3)C2)cc1 13675222 IXWUIEQWLIZCLY-QGZVFWFLSA-N 309.438 3.698 0 30 DHAC Nc1ncnc2scc(-c3cccc(Br)c3)c12 299803558 YFLOJOPENCQKLQ-UHFFFAOYSA-N 306.188 3.703 0 30 DHAC Cc1cccc(C)c1-n1c([C@H]2C[C@H]3CC[C@H]2O3)n[nH]c1=S 102938752 WSLBIGUWJZUQJP-FRRDWIJNSA-N 301.415 3.582 0 30 DHAC O=C(NCc1csc(-c2cccs2)n1)c1ccsc1 131589 KWOHAQSPSUIJAT-UHFFFAOYSA-N 306.437 3.863 0 30 DHAC CO[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 39095087 YHMRGJSWKKNBFG-XLXYOEISSA-N 318.457 3.504 0 30 DHAC CSc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)s1 114631 JVNLXHOJTCTVEF-FMIVXFBMSA-N 301.392 3.815 0 30 DHAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 83328583 UGFUCGXBLWHIFS-PWSUYJOCSA-N 300.276 3.779 0 30 DHAC COc1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1F 167172 JEZOAZZWVJVKIP-UHFFFAOYSA-N 303.308 3.566 0 30 DHAC CC(C)(C)OC(=O)N1CCc2c(csc2Br)C1 39698255 JEEOINMLTRTGRF-UHFFFAOYSA-N 318.236 3.804 0 30 DHAC Cc1ccc(-n2nnnc2-c2ccccc2C(F)(F)F)cc1 77804 BTCGBPYKQCJKSV-UHFFFAOYSA-N 304.275 3.657 0 30 DHAC Cc1n[nH]c(=O)c2noc(/C=C/c3ccc(Cl)c(Cl)c3)c12 132222 YWRQIMZRJTYUGS-HWKANZROSA-N 322.151 3.697 0 30 DHAC Cn1nc(C(C)(C)C)c(NC(=O)c2cccnc2)c1C(C)(C)C 147235 LAYOICGOEOSTEY-UHFFFAOYSA-N 314.433 3.662 0 30 DHAC Cc1ccc(SCCS(=O)(=O)c2ccc(F)cc2)cc1 170500 KNFUNCBFJCBCAM-UHFFFAOYSA-N 310.415 3.700 0 30 DHAC CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)no1 21791509 XLVZABMWZMAHHG-HNNXBMFYSA-N 302.349 3.914 0 30 DHAC CCOC(=O)CSC(=O)c1sc2ccccc2c1Cl 2160617 GMHDQSOHZADPKQ-UHFFFAOYSA-N 314.815 3.991 0 30 DHAC O=C(c1ccccc1)c1ccc(OCC[C@@H]2CCCCN2)cc1 95935493 XSJZQHVJMJGGAF-SFHVURJKSA-N 309.409 3.829 0 30 DHAC CCOC(=O)c1cc2cc(Br)ccc2n1C1CC1 260319966 GBMVNLCKYOZHOT-UHFFFAOYSA-N 308.175 3.915 0 30 DHAC O=C(OCc1ccccc1)N1CCC[C@]2(Cc3ccccc3N2)C1 888084757 OSHJDCSJUIOSGC-FQEVSTJZSA-N 322.408 3.826 0 30 DHAC O=C(NCc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 132638 JHZLBZAUCQSIRW-UHFFFAOYSA-N 314.694 3.684 0 30 DHAC Fc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1 66325697 YJSFQVKXLJBVMK-UHFFFAOYSA-N 309.388 3.629 0 30 DHAC COC(=O)c1ccccc1NCC[C@@H](C)CCCC(C)(C)O 33637434 YLWASZIQQSARJP-AWEZNQCLSA-N 307.434 3.853 0 30 DHAC COc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)c1 155605 DNWNYCSRLQSRMC-UHFFFAOYSA-N 311.263 3.753 0 30 DHAC S=C(NCc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1 113542 BDWGYPYSZHQMAT-UHFFFAOYSA-N 318.829 3.762 0 30 DHAC COc1cc2c(cc1Cl)[C@H](NC(=O)OC(C)(C)C)CCN2 888084741 KWMFNULWDIYEDK-LLVKDONJSA-N 312.797 3.730 0 30 DHAC CC(C)(C)OC(=O)N1CCC(COc2ccc(C=O)cc2)CC1 39131000 ZFTMGLWBRQSLDV-UHFFFAOYSA-N 319.401 3.525 0 30 DHAC CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 745944005 LYZIPXDSXXNDPI-OAHLLOKOSA-N 324.852 3.781 0 30 DHAC Cc1onc(-c2ccccc2)c1CNC(=O)Nc1ccccc1 105532 HJPCQESJBYNFJG-UHFFFAOYSA-N 307.353 3.972 0 30 DHAC CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 34549687 RVWUTTUZKJOUDV-GTAWCEEGSA-N 312.409 3.749 0 30 DHAC CSc1sc(Cl)c(Cl)c1S(=O)(=O)C(C)C 125105 NDOVQILPUWIXQW-UHFFFAOYSA-N 305.273 3.959 0 30 DHAC CCCCOc1cc(N)ccc1C(=O)SCCN(CC)CC 2020621 SNVBQPHTYPTUQK-UHFFFAOYSA-N 324.490 3.663 0 30 DHAC O=C(C1=NNC[C@@H]1c1cccc2ccccc12)c1ccccc1 4336584 VYKHORONHATJQK-GOSISDBHSA-N 300.361 3.766 0 30 DHAC Sc1nnc(Nc2ccc(Br)cc2Cl)s1 98046 PDLWGHPIRMZZAU-UHFFFAOYSA-N 322.640 3.986 0 30 DHAC CCOC(=S)SCc1nc(-c2ccc(Cl)cc2)no1 139477 RDGSBTJTVIZBEE-UHFFFAOYSA-N 314.819 3.945 0 30 DHAC CN1N=C2c3ccccc3CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 4389043 XQJMQZZYRCGLLR-UZLBHIALSA-N 320.392 3.759 0 30 DHAC CC(=O)Nc1cccc(C(=O)Nc2cccc3ccc(O)cc23)c1 5160891 QXWNWVHZMMVIQA-UHFFFAOYSA-N 320.348 3.756 0 30 DHAC C[C@@H](C(=O)O)c1ccc(SN2Cc3ccccc3C2=O)cc1 38605319 BQXPBLHGEANIBE-LLVKDONJSA-N 313.378 3.538 0 30 DHAC Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@H]2N 91302963 UNGYUTDHXAELTG-MRXNPFEDSA-N 316.445 3.667 0 30 DHAC in-vitro FC(F)(F)Oc1ccc(-c2nnc(-c3ccncc3)o2)cc1 122553 FCNYJGLDJPQOTF-UHFFFAOYSA-N 307.231 3.697 0 30 DHAC Fc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 93814 RTAHQCFFBMRKFI-UHFFFAOYSA-N 322.265 3.546 0 30 DHAC O=C(O)CC1(CC(=O)NCc2cccc(Cl)c2)CCCCC1 105452 ODPCRGPDWMDZHZ-UHFFFAOYSA-N 323.820 3.772 0 30 DHAC COCCCC[C@H](Cc1ccc(Br)cc1)C(=O)O 228706229 COGZOKGCBVGTHF-GFCCVEGCSA-N 315.207 3.509 0 30 DHAC C[C@@H]1CCCC[C@H]1NC(=O)NCCSCc1ccccc1 12793711 OWUXUXDKUOFZOQ-GDBMZVCRSA-N 306.475 3.798 0 30 DHAC O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2snnc2c1 171475 MBSVGZGBFOYDPV-UHFFFAOYSA-N 323.299 3.962 0 30 DHAC CC(COCc1ccccc1)(COCc1ccccc1)C(=O)O 2576341 PVZLEQYZHOJLOP-UHFFFAOYSA-N 314.381 3.511 0 30 DHAC CCOC(=O)C1=Cc2ccc(Cl)cc2O[C@@H]1C(F)(F)F 953018974 WMANYBYKERALQR-NSHDSACASA-N 306.667 3.610 0 30 DHAC Clc1ccc(C=Cc2ccnc3nc(-n4cccc4)nn23)cc1 2265276294 NWSOTRSJPVBFDB-UHFFFAOYSA-N 321.771 3.739 0 30 DHAC CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(F)cc1 4335037 ZDYVODWJRABWDL-MJGOQNOKSA-N 308.356 3.696 0 30 DHAC COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OC 116939 XANREZVRQJUAKM-UHFFFAOYSA-N 317.295 3.669 0 30 DHAC CCOC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20230162 SSAGRVCTRUDKJH-UHFFFAOYSA-N 322.408 3.531 0 30 DHAC CSc1nnc(C)n1-c1ccc(OCc2ccccc2)cc1 128056 CZLVWOOIOCJQMR-UHFFFAOYSA-N 311.410 3.877 0 30 DHAC O=C(O)c1csc2nc(-c3ccc(Br)cc3)cn12 40440927 MNOUOSRQGOMOCV-UHFFFAOYSA-N 323.171 3.524 0 30 DHAC CCOC(=O)c1c(Cl)sc(C(=O)OC(C)(C)C)c1C 95829222 WNAZWLOEBAEYIX-UHFFFAOYSA-N 304.795 3.842 0 30 DHAC O=Cc1cc(Br)cc(F)c1OCc1ccccc1 142270774 BZUGACPNEXNCFI-UHFFFAOYSA-N 309.134 3.980 0 30 DHAC in-vitro CCN(CC)CCN=S(=O)(c1ccccc1)c1ccccc1 4217487 HSOWGTFAGFRXKH-UHFFFAOYSA-N 316.470 3.914 0 30 DHAC in-man Cc1ccc(-n2cc(C)s/c2=N\C(=O)c2ccccc2)cc1 44138596 XEQYZTKKOVSCQN-HNENSFHCSA-N 308.406 3.897 0 30 DHAC FC(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 72266603 DJZYDXMNCZURPV-UHFFFAOYSA-N 304.655 3.608 0 30 DHAC in-vitro O=C(O)c1ccccc1C(=O)NCc1csc2ccccc12 102848 OLRNMXZSWHQKRH-UHFFFAOYSA-N 311.362 3.530 0 30 DHAC O=C(CSc1nc2ccccc2o1)N1CCCc2ccccc21 159970 XUWLOYYTCDBAKV-UHFFFAOYSA-N 324.405 3.899 0 30 DHAC COc1ccc2[nH]c3c(C)c(CCN(C)C(C)=O)ccc3c2c1 33610983 AVOQHFGBRPLGTD-UHFFFAOYSA-N 310.397 3.659 0 30 DHAC CC1=C([C@H](O)c2ccc(Cl)cc2)C2(CCCCC2)OC1=O 33890485 XSLSAXKPTOACNO-OAHLLOKOSA-N 306.789 3.950 0 30 DHAC OCC[C@H](S[C@H](CCO)c1ccccc1)c1ccccc1 71791182 GTRVIDXAAGHREI-HDICACEKSA-N 302.439 3.967 0 30 DHAC O=C1C[C@H](c2coc3ccccc3c2=O)Sc2ccccc2N1 84993 FTHRKDBIRPGZNR-MRXNPFEDSA-N 323.373 3.969 0 30 DHAC O=S(=O)(O)CCCCCCCCCc1ccccc1O 33607688 SJIHHWWUIABEIQ-UHFFFAOYSA-N 300.420 3.553 0 30 DHAC O=C(O)C[C@@](O)(c1ccc(-c2ccccc2)cc1)c1ccco1 33865941 BAHQNJTUXOYSSF-LJQANCHMSA-N 308.333 3.657 0 30 DHAC CS(=O)(=O)N(Cl)c1ccc(Cl)c(Cl)c1Cl 141676204 BCABNQGJXLRLEA-UHFFFAOYSA-N 309.001 3.567 0 30 DHAC C=CC(=O)Oc1c(Br)cc(Cl)c2cccnc12 5157584 YDNLKBDXQCHOTH-UHFFFAOYSA-N 312.550 3.742 0 30 DHAC in-vitro CSC1=NC(c2ccccc2)(c2ccccc2)C(=S)N1C 32254549 ZBGAUZJQWDKQCZ-UHFFFAOYSA-N 312.463 3.922 0 30 DHAC c1ccc(Nc2nc(N[C@@H]3C[C@@H]4CC[C@H]3C4)c3nc[nH]c3n2)cc1 13648476 SLLSODGWHDUMRG-MBNYWOFBSA-N 320.400 3.697 0 30 DHAC CCOC(=O)Nc1ccc(N(C)c2ccc(F)cc2)cc1N 222957415 QUAXPMCGRPZNEG-UHFFFAOYSA-N 303.337 3.744 0 30 DHAC